FN Thomson Reuters Web of Science™ VR 1.0 PT S AU Strand, OT Berzins, LV Goosman, DR Kuhlow, WW Sargis, PD Whitworth, TL AF Strand, OT Berzins, LV Goosman, DR Kuhlow, WW Sargis, PD Whitworth, TL BE Paisley, DL Kleinfelder, S Snyder, DR Thompson, BJ TI Velocimetry using heterodyne techniques SO 26th International Congress on High Speed Photography and Photonics SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT 26th International Congress on High-Speed Photography and Photonics CY SEP 20-24, 2004 CL Alexandria, VA SP Los Alamos Natl Lab, Los Alamos Natl Lab Phys Div, SPIE DE velocimetry; heterodyne; fiber optics; fiber lasers; circulators; high-speed digitizers AB At LLNL, we have been using heterodyne techniques for the past year and a half to measure velocities up to several kilometers-per-second on different types of experiments. We assembled this diagnostic, which we call the Heterodyne Velocimeter (HetV), using commercially available products developed for the communications industry. We use a 1550 nm fiber laser and single mode fibers to deliver light to and from the target. The return Doppler-shifted light is mixed with the original laser light to generate a beat frequency proportional to the velocity. At a velocity of 1000 m/s, the beat signal has a frequency of 1.29 GHz. We record the beat signals directly onto fast digitizers. The maximum velocity is limited by the bandwidth of the electronics and the sampling rate of the digitizers. The record length is limited by the amount of memory contained in the digitizers. This paper describes our approach to measuring velocities with this technique and presents recent data obtained with the HetV. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Strand, OT (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94550 USA. NR 5 TC 35 Z9 36 U1 2 U2 15 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 0-8194-5530-X J9 P SOC PHOTO-OPT INS PY 2005 VL 5580 BP 593 EP 599 DI 10.1117/12.567579 PG 7 WC Optics; Imaging Science & Photographic Technology SC Optics; Imaging Science & Photographic Technology GA BCE99 UT WOS:000228994200065 ER PT S AU Erskine, DJ AF Erskine, DJ BE Paisley, DL Kleinfelder, S Snyder, DR Thompson, BJ TI Heterodyning time resolution boosting for velocimetry and reflectivity measurements SO 26th International Congress on High Speed Photography and Photonics SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT 26th International Congress on High-Speed Photography and Photonics CY SEP 20-24, 2004 CL Alexandria, VA SP Los Alamos Natl Lab, Los Alamos Natl Lab Phys Div, SPIE DE velocity interferometry; Doppler; VISAR; heterodyning; streak cameras ID INTERFEROMETER AB A theoretical technique is described for boosting the temporal resolving power by several times, of detectors such as streak cameras in experiments that measure light reflected from or transmitted through a target, including velocity interferometer (VISAR) measurements. This is a means of effectively increasing the number of resolvable time bins in a streak camera record past the limit imposed by input slit width and blur on the output phosphor screen. The illumination intensity is modulated sinusoidally at a frequency similar to the limiting time response of the detector. A heterodyning effect beats the high frequency science signal down a lower frequency beat signal, which is recorded together with the conventional science signal. Using 3 separate illuminating channels having different phases, the beat term is separated algebraically from the conventional signal. By numerically reversing the heterodyning, and combining with the ordinary signal, the science signal can be reconstructed to better effective time resolution than the detector used alone. The effective time resolution can be approximately halved for a single modulation frequency, and further decreased inversely proportional to the number of independent modulation frequencies employed. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Erskine, DJ (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. NR 6 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 0-8194-5530-X J9 P SOC PHOTO-OPT INS PY 2005 VL 5580 BP 600 EP 608 DI 10.1117/12.582723 PG 9 WC Optics; Imaging Science & Photographic Technology SC Optics; Imaging Science & Photographic Technology GA BCE99 UT WOS:000228994200066 ER PT S AU Briggs, ME Hemsing, WF Shinas, MA Whittemore, G AF Briggs, ME Hemsing, WF Shinas, MA Whittemore, G BE Paisley, DL Kleinfelder, S Snyder, DR Thompson, BJ TI Improved probe and analysis for VISAR SO 26TH INTERNATIONAL CONGRESS ON HIGH SPEED PHOTOGRAPHY AND PHOTONICS SE Proceedings of SPIE LA English DT Proceedings Paper CT 26th International Congress on High-Speed Photography and Photonics CY SEP 20-24, 2004 CL Alexandria, VA SP Los Alamos Natl Lab, Los Alamos Natl Lab Phys Div, SPIE DE GRIN; gradient refractive index; depth of field; efficiency; probe; optical; VISAR; velocimetry; analysis; contrast ID IMAGING PROPERTIES AB We have designed and used for several years now a 1/4 inch O.D., 11.5 inch length optical probe for imaging light from a surface area inside a confined space. The design is based on a commercial SelFoc gradient index objective and relay rod combination with acceptance angle +-30 degrees. We have used our probe both for framing camera images and for imaging spots on a surface onto a fiber array for interferometry. Probe efficiency is 1x10(-6) at an object distance of 10 centimeters, where, for imaging onto the array, the probe has a depth of field from 2 cm to infinity. If a spot size of 1 mm is acceptable, the object can be brought within a few mm. For interferometry, the probe images enough of the surface to require automation from the analysis software. Below we report our probe construction and performance calculations, and software automation and analysis improvements. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Briggs, ME (reprint author), Los Alamos Natl Lab, MS P940, Los Alamos, NM 87545 USA. EM briggs@lanl.gov NR 8 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 0-8194-5530-X J9 PROC SPIE PY 2005 VL 5580 BP 609 EP 616 DI 10.1117/12.584280 PG 8 WC Optics; Imaging Science & Photographic Technology SC Optics; Imaging Science & Photographic Technology GA BCE99 UT WOS:000228994200067 ER PT S AU Kyrala, GA Batha, SH Workman, JB Fincke, JR Keiter, PA Cobble, J Lanier, NE Tierney, T Christensen, C AF Kyrala, GA Batha, SH Workman, JB Fincke, JR Keiter, PA Cobble, J Lanier, NE Tierney, T Christensen, C BE Paisley, DL Kleinfelder, S Snyder, DR Thompson, BJ TI High-speed x-ray imaging in high-power laser experiments SO 26th International Congress on High Speed Photography and Photonics SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT 26th International Congress on High-Speed Photography and Photonics CY SEP 20-24, 2004 CL Alexandria, VA SP Los Alamos Natl Lab, Los Alamos Natl Lab Phys Div, SPIE AB X-ray imaging is one essential tool for capturing phenomena that occur when high-irradiance lasers interact with complex, optically thick targets. We use x-ray backlighting and emission to measure the result of such interactions at experiments on the Omega laser and the Z-machine z-pinch facilities. In this presentation, we will show some of the images collected with a variety of experiments, we will discuss some of the difficulties we overcame, and look to issues that will arise with higher-energy lasers and larger objects. C1 Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Kyrala, GA (reprint author), Los Alamos Natl Lab, POB 1663,MS E-526, Los Alamos, NM 87544 USA. RI Keiter, Paul/J-3037-2013 NR 20 TC 3 Z9 3 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 0-8194-5530-X J9 P SOC PHOTO-OPT INS PY 2005 VL 5580 BP 629 EP 643 DI 10.1117/12.584782 PG 15 WC Optics; Imaging Science & Photographic Technology SC Optics; Imaging Science & Photographic Technology GA BCE99 UT WOS:000228994200069 ER PT S AU Paisley, DL Swift, DC Tierney, TE Munson, CP Johnson, RP AF Paisley, DL Swift, DC Tierney, TE Munson, CP Johnson, RP BE Paisley, DL Kleinfelder, S Snyder, DR Thompson, BJ TI Diagnostics for confined plasma ablation for plate launch and shock generation SO 26th International Congress on High Speed Photography and Photonics SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT 26th International Congress on High-Speed Photography and Photonics CY SEP 20-24, 2004 CL Alexandria, VA SP Los Alamos Natl Lab, Los Alamos Natl Lab Phys Div, SPIE DE flyer plate; confined plasma; ablation; VISAR; line-interferometer; spall; hugoniot; diffractive optical element AB Confined plasma ablation is an efficient method to accelerate 1-D metal plates, with the impact of the plate resulting in a well-defined shock being generated in a target material. By using confined plasma to accelerate a plate, some details of the laser parameters are decoupled from the plate impact. Several types of experiments and related diagnostics to evaluate the performance parameters of the laser beam, flyer plate acceleration, and plate conditions are described. Several experiments using the flyer plates to generate shocks in materials to determine pressure-velocity relations, and dynamic spall strength of various metals are presented. C1 Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Paisley, DL (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. NR 9 TC 1 Z9 2 U1 0 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 0-8194-5530-X J9 P SOC PHOTO-OPT INS PY 2005 VL 5580 BP 868 EP 872 DI 10.1117/12.592188 PG 5 WC Optics; Imaging Science & Photographic Technology SC Optics; Imaging Science & Photographic Technology GA BCE99 UT WOS:000228994200095 ER PT S AU Pierson, LG Robertson, PJ Van Randwyk, J Toole, TJ AF Pierson, LG Robertson, PJ Van Randwyk, J Toole, TJ BE Sanson, LD TI Protection of distributed internetworked computers SO 39TH ANNUAL 2005 INTERNATIONAL CARNAHAN CONFERENCE ON SECURITY TECHNOLOGY, PROCEEDINGS SE CARNAHAN CONFERENCE ON SECURITY TECHNOLOGY LA English DT Proceedings Paper CT 39th Annual International Carnahan Conference on Security Technology CY OCT 11-14, 2005 CL Las Palmas, SPAIN SP IEEE Lexington Sect, IEEE Aerosp & Elect Syst Soc, Chung Shan Inst Sci, Natl Cent Univ DE computer network protection; programmable security functions; cryptographically protected processor; secure computer network architecture AB Current methods of enforcing security policy depend on security patches, anti-virus protections, and configuration control, all updated in the end user's computer at ever decreasing intervals. This research is producing a method of hardening the corporate computer infrastructure by prototyping a mixed hardware and software architecture that will enforce policies by pushing distributed security functions closer to the end user's computer, but without modifying. relying on or reconfiguring the end user's computer itself. Previous research has developed highly secure network components. Because it is impractical to replace our entire infrastructure with secure, trusted components, this paper investigates how to improve the security of a heterogeneous infrastructure composed of both trusted and untrusted components. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM lgpiers@sandia.gov; pjrober@sandia.gov; jvanran@sandia.gov; ttoole@sandia.gov NR 7 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0737-1160 BN 0-7803-9245-0 J9 CAR C SECUR PY 2005 BP 212 EP 215 DI 10.1109/CCST.2005.1594882 PG 4 WC Computer Science, Artificial Intelligence; Computer Science, Information Systems; Computer Science, Theory & Methods; Imaging Science & Photographic Technology SC Computer Science; Imaging Science & Photographic Technology GA BDZ97 UT WOS:000236384200046 ER PT S AU Adams, DG Snell, MK Green, MW Pritchard, DA AF Adams, DG Snell, MK Green, MW Pritchard, DA BE Sanson, LD TI Between detection and neutralization - Sand2005-5077C SO 39TH ANNUAL 2005 INTERNATIONAL CARNAHAN CONFERENCE ON SECURITY TECHNOLOGY, PROCEEDINGS SE CARNAHAN CONFERENCE ON SECURITY TECHNOLOGY LA English DT Proceedings Paper CT 39th Annual International Carnahan Conference on Security Technology CY OCT 11-14, 2005 CL Las Palmas, SPAIN SP IEEE Lexington Sect, IEEE Aerosp & Elect Syst Soc, Chung Shan Inst Sci, Natl Cent Univ AB Security system analytical performance analysis is generally based on the probability of system effectiveness. The probability of effectiveness is a function of the probabilities of interruption and neutralization. Interruption occurs if the response forces are notified in sufficient time to engage the adversary. Neutralization occurs if the adversary attack is defeated after the security forces have actively engaged the adversary. Both depend upon communications of data. This paper explores details of embedded communications functions that are often assumed to be inconsequential. It is the intent of the authors to bring focus to an issue in security system modeling that, if not well understood, has the potential to be a deciding factor m the overall system failure or effectiveness. C1 Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Adams, DG (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87123 USA. EM dgadams@sandia.gov; mksnell@sandia.gov; mgreen@sandia.gov; dpritch@sandia.gov NR 1 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0737-1160 BN 0-7803-9245-0 J9 CAR C SECUR PY 2005 BP 226 EP 229 PG 4 WC Computer Science, Artificial Intelligence; Computer Science, Information Systems; Computer Science, Theory & Methods; Imaging Science & Photographic Technology SC Computer Science; Imaging Science & Photographic Technology GA BDZ97 UT WOS:000236384200049 ER PT B AU Quirk, MD Climescu-Haulica, A Saeger, KJ AF Quirk, Mihaela D. Climescu-Haulica, Adriana Saeger, Kevin J. BE Chu, HW Savoie, MJ Sanchez, B TI Network control by fuzzy normalized cut clustering strategies for critical infrastructures SO 3RD INTERNATIONAL CONFERENCE ON COMPUTING, COMMUNICATIONS AND CONTROL TECHNOLOGIES, VOL 1, PROCEEDINGS LA English DT Proceedings Paper CT 3rd International Conference on Computing, Communications and Control Technologies CY JUL 24-27, 2005 CL Austin, TX SP Int Inst Informat & Syst, Int Federat Syst Res DE critical infrastructures; robustness; fuzzy normalized cut clustering ID ROBUSTNESS AB This papers present an approach to analyze the robustness of the interdependent infrastructure networks or subnetworks under disruptions. A fuzzy clustering strategy is employed to estimate infrastructure robustness during disruptions. The technique introduced here provides decision makers with tools that indicate the state of infrastructures and impact the selection of optimal courses of actions. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Quirk, MD (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM pal@lanl.gov; adriana.climescu@imag.fr; saeger@lanl.gov RI Saeger, Kevin/O-8619-2016 OI Saeger, Kevin/0000-0002-3639-5302 NR 12 TC 0 Z9 0 U1 0 U2 1 PU INT INST INFORMATICS & SYSTEMICS PI ORLANDO PA 14269 LORD BARCLAY DR, ORLANDO, FL 32837 USA BN 978-980-6560-46-8 PY 2005 BP 173 EP 177 PG 5 WC Automation & Control Systems; Computer Science, Information Systems; Computer Science, Interdisciplinary Applications SC Automation & Control Systems; Computer Science GA BFP52 UT WOS:000243629600032 ER PT B AU Almquist, J Connell, L Johns, Z Dillon, H Elliott, G AF Almquist, Justin Connell, Linda Johns, Zoe Dillon, Heather Elliott, Geoff BE Chu, HW Savoie, MJ Sanchez, B Hong, SM TI Morf (TM) - Towards next generation digital media management SO 3rd International Conference on Computing, Communications and Control Technologies, Vol 3, Proceedings LA English DT Proceedings Paper CT 3rd International Conference on Computing, Communications and Control Technologies CY JUL 24-27, 2005 CL Austin, TX SP Int Inst Informat & Syst, Int Federat Syst Res DE information retrieval; digital library; content management; CMS; XML; XSLT; cocoon; design AB Pacific Northwest National Laboratory's Morf project is developing next generation digital media management technologies by incorporating features of traditional systems such as digital libraries, knowledge bases, and content management systems. In particular, Morf supports fine-grained content management by allowing text, graphics, or any media to be reused throughout the system, which creates for a "change once, permeate everywhere" environment. Additionally, Morf provides searching and browsing capabilities of multiple media types across internal and external content. This paper describes the requirements, design, and implementation of Morf and presents three web tools currently driven by the Morf platform. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Almquist, J (reprint author), Pacific NW Natl Lab, 902 Battelle, Richland, WA 99352 USA. NR 16 TC 0 Z9 0 U1 0 U2 0 PU INT INST INFORMATICS & SYSTEMICS PI ORLANDO PA 14269 LORD BARCLAY DR, ORLANDO, FL 32837 USA BN 978-980-6560-48-2 PY 2005 BP 192 EP 199 PG 8 WC Computer Science, Theory & Methods SC Computer Science GA BFP54 UT WOS:000243630800035 ER PT S AU Brocato, RW Studor, GF Palmer, DW AF Brocato, RW Studor, GF Palmer, DW GP IEEE TI Microsystem packaging of an RF SAW correlator SO 55TH ELECTRONIC COMPONENTS & TECHNOLOGY CONFERENCE, VOLS 1 AND 2, 2005 PROCEEDINGS SE Electronic Components and Technology Conference LA English DT Proceedings Paper CT 55th Electronic Components and Technology Conference CY MAY 31-JUN 04, 2005 CL Lake Buena Vista, FL SP Elect Components, Assemblies & Mat Assoc, Elect Ind Alliance, IEEE, CPMT DE microsystem; flip-chip; thick film hybrid; SAW; correlator AB An electrically programmable surface acoustic wave (SAW) correlator was recently completed from design through small scale production in support of low power space-based communications for NASA. Three different versions of this RF microsystem were built to satisfy design requirements and overcome packaging and system reliability related issues. Flip- chip packaging and conventional thick film hybrid assembly techniques are compared in the fabrication of this microsystem. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Sandia Natl Labs, POB 5800,MS 0874, Albuquerque, NM 87185 USA. EM rwbroca@sandia.gov; george.f.studor@nasa.gov NR 5 TC 0 Z9 0 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0569-5503 BN 0-7803-8906-9 J9 ELEC COMP C PY 2005 BP 518 EP 522 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA BCP57 UT WOS:000230581600079 ER PT S AU Crespin, ER Lee, D AF Crespin, ER Lee, D GP IEEE TI Design and packaging for a reliable 8-watt solid state RF power amplifier for radar SO 55th Electronic Components & Technology Conference, Vols 1 and 2, 2005 Proceedings SE ELECTRONIC COMPONENTS AND TECHNOLOGY CONFERENCE LA English DT Proceedings Paper CT 55th Electronic Components and Technology Conference CY MAY 31-JUN 04, 2005 CL Lake Buena Vista, FL SP Elect Components, Assemblies & Mat Assoc, Elect Ind Alliance, IEEE, CPMT AB A reliable 18-mm GaAs power amplifier die has been success fully packaged producing eight Watts at L-band. The commercial hermetic package was the first step in the design of a reliable power amplifier while processing steps during assembly and bulk preconditioning add to the reliability of the device. Some issues faced while assembling the power amplifier include lid sealing and the concern of hydrogen poisoning. Electrical testing of the packaged 18-mm die presented its own concerns in a production environment ranging from repeatability to ruggedness of the test fixtures. As the relief of these issues arrives, so does a more reliable power amplifier. C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Crespin, ER (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 4 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0569-5503 BN 0-7803-8906-9 J9 ELEC COMP C PY 2005 BP 1762 EP 1764 PG 3 WC Engineering, Electrical & Electronic SC Engineering GA BCP57 UT WOS:000230581600281 ER PT B AU Frachtenberg, E AF Frachtenberg, E BE Bein, W Chin, FYL Hsu, DF Palis, ML TI Process scheduling for the parallel desktop SO 8th International Symposium on Parallel Architectures, Algorithms and Networks, Proceedings LA English DT Proceedings Paper CT 8th International Symposium on Parallel Architectures, Algorithms and Networks CY DEC 07-09, 2005 CL Las Vegas, NV SP Univ Nevada, Ctr Adv Study Algorithms, Natl Sci Fdn AB Commodity hardware and software are growing increasingly more complex, with advances such as chip heterogeneity and specialization, deeper memory hierarchies, fine-grained power management, and most importantly, chip parallelism. Similarly, workloads are growing more concurrent and diverse. With this new complexity in hardware and software, process scheduling in the operating system (OS) becomes more challenging. Nevertheless, most commodity OS schedulers are based on design principles that are 30 years old. This disparity may soon lead to significant performance degradation. Most significantly, parallel architectures such as multicore chips require more than scalable OSs: parallel programs require parallel-aware scheduling. This paper posits that imminent changes in hardware and software warrant reevaluating the scheduler's policies in the commodity OS. We discuss and demonstrate the main issues that the emerging parallel desktops are raising for the OS scheduler. We propose that a new approach to scheduling is required, applying and generalizing lessons from different domain-specific scheduling algorithms, and in particular, parallel job scheduling. Future architectures can also assist the OS by providing better information on process scheduling requirements. C1 Los Alamos Natl Lab, Modeling Algorithms & Informat Grp CCS 3, Comp & Computat Sci Div, Los Alamos, NM 87544 USA. RP Frachtenberg, E (reprint author), Los Alamos Natl Lab, Modeling Algorithms & Informat Grp CCS 3, Comp & Computat Sci Div, Los Alamos, NM 87544 USA. NR 38 TC 0 Z9 0 U1 0 U2 0 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA BN 0-7695-2509-1 PY 2005 BP 132 EP 139 DI 10.1109/ISPAN.2005.69 PG 8 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods; Telecommunications SC Computer Science; Telecommunications GA BDP23 UT WOS:000234708700022 ER PT B AU Katramatos, D Chapin, SJ AF Katramatos, D Chapin, SJ BE Bein, W Chin, FYL Hsu, DF Palis, ML TI A scalable method tor predicting network performance in heterogeneous clusters SO 8th International Symposium on Parallel Architectures, Algorithms and Networks, Proceedings LA English DT Proceedings Paper CT 8th International Symposium on Parallel Architectures, Algorithms and Networks CY DEC 07-09, 2005 CL Las Vegas, NV SP Univ Nevada, Ctr Adv Study Algorithms, Natl Sci Fdn AB An important requirement for the effective scheduling of parallel applications on large heterogeneous clusters is a current view of system resource availability. Maintaining such a view is a time consuming problem, potentially O(N-2). Although CPU availability is relatively easy to monitor interconnecting network bandwidth varies not only with network topology, but also with message size and even with respect to the load of the communicating nodes. This paper describes a method for predicting a cluster's network performance for the purpose of scheduling parallel applications. The method generates a cluster-specific network model which can predict the latency of communications between any pair of nodes in linear time and under any computational and/or communication load conditions. The paper also presents the models generated for the Centurion cluster at the University of Virginia and the Orange Grove cluster at Syracuse University. A study of the prediction accuracy of the method under various load conditions by comparison to experimental measurements indicates an average prediction error of approximately 5% with the maximum encountered prediction error of less than 9%. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP Katramatos, D (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. NR 7 TC 0 Z9 0 U1 0 U2 0 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA BN 0-7695-2509-1 PY 2005 BP 288 EP 295 DI 10.1109/ISPAN.2005.11 PG 8 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods; Telecommunications SC Computer Science; Telecommunications GA BDP23 UT WOS:000234708700045 ER PT S AU Rieger, CG Naidu, DS AF Rieger, CG Naidu, DS GP IEEE TI Implementation of a hybrid controller for ventilation control using soft computing SO ACC: Proceedings of the 2005 American Control Conference, Vols 1-7 SE PROCEEDINGS OF THE AMERICAN CONTROL CONFERENCE LA English DT Proceedings Paper CT American Control Conference 2005 (ACC) CY JUN 08-10, 2005 CL Portland, OR SP Amer Automat Control Council, IFAC, AIAA, AIChE, AIST, ASCE, ASME, IEEE, ISA, SCS AB Many industrial facilities utilize pressure control gradients to prevent migration of hazardous species from containment areas to occupied zones, often using Proportional-Integral-Derivative (PID) control systems. When operators rebalance the facility, variation from the desired gradients can occur and the operating conditions can change enough that the PID parameters are no longer adequate to maintain a stable system. As the goal of the ventilation control system is to optimize the pressure gradients and associated flows for the facility, Linear Quadratic Tracking (LQT) is a method that provides a time-based approach to guiding facility interactions. However, LQT methods are susceptible to modeling and measurement errors, and therefore the additional use of soft computing methods is proposed for implementation to account for these errors and nonlinearities. C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Rieger, CG (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. NR 16 TC 1 Z9 1 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0743-1619 BN 0-7803-9098-9 J9 P AMER CONTR CONF PY 2005 BP 2245 EP 2250 DI 10.1109/ACC.2005.1470303 PG 6 WC Automation & Control Systems; Computer Science, Artificial Intelligence SC Automation & Control Systems; Computer Science GA BCY93 UT WOS:000231947703001 ER PT J AU Majumder, A Stevens, R AF Majumder, A Stevens, R TI Perceptual photometric seamlessness in projection-based tiled displays SO ACM TRANSACTIONS ON GRAPHICS LA English DT Article DE algorithms; human factors; projection-based displays; tiled displays; color calibration ID RETINEX AB Arguably, the most vexing problem remaining for multi-projector displays is that of photometric (brightness) seamlessness within and across different projectors. Researchers have strived for strict photometric uniformity that achieves identical response at every pixel of the display. However, this goal typically results in displays with severely compressed dynamic range and poor image quality. In this article, we show that strict photometric uniformity is not a requirement for achieving photometric seamlessness. We introduce a general goal for photometric seamlessness by defining it as an optimization problem, balancing perceptual uniformity with display quality. Based on this goal, we present a new method to achieve perceptually seamless high quality displays. We first derive a model that describes the photometric response of projection-based displays. Then we estimate the model parameters and modify them using perception-driven criteria. Finally, we use the graphics hardware to reproject the image computed using the modified model parameters by manipulating only the projector inputs at interactive rates. Our method has been successfully demonstrated on three different practical display systems at Argonne National Laboratory, made of 2 x 2 array of four projectors, 2 x 3 array of six, projectors, and 3 x 5 array of fifteen projectors. Our approach is efficient, automatic and scalable - requiring only a digital camera and a photometer. To the best of our knowledge, this is the first approach and system that addresses the photometric variation problem from a perceptual stand point and generates truly seamless displays with high dynamic range. C1 Univ Calif Irvine, Dept Comp Sci, Irvine, CA 92696 USA. Univ Chicago, Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Majumder, A (reprint author), Univ Calif Irvine, Dept Comp Sci, 444 Comp Sci Bldg, Irvine, CA 92696 USA. EM majumder@cs.uci.edu NR 35 TC 25 Z9 32 U1 0 U2 3 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA SN 0730-0301 EI 1557-7368 J9 ACM T GRAPHIC JI ACM Trans. Graph. PD JAN PY 2005 VL 24 IS 1 BP 118 EP 139 DI 10.1145/1037957.1037964 PG 22 WC Computer Science, Software Engineering SC Computer Science GA 880MN UT WOS:000225794000007 ER PT J AU Roberts, PM AF Roberts, PM TI Laboratory observations of altered porous fluid flow behavior in Berea sandstone induced by low-frequency dynamic stress stimulation SO ACOUSTICAL PHYSICS LA English DT Article ID CAPILLARY TUBES; ULTRASONIC REMOVAL; OSCILLATORY FLOW; OIL PRODUCTION; MEDIA; DROPLETS; DAMAGE; ROCK AB It has been observed repeatedly that low-frequency (1-500 Hz) seismic stress waves can enhance oil production from depleted reservoirs and contaminant extraction from groundwater aquifers. The physics coupling stress waves to fluid flow behavior in porous media is not understood, although numerous physical mechanisms have been proposed to explain the observations. To quantify the effects of low-frequency, dynamic-stress stimulation on multiphase fluid flow and in situ particle behavior in porous media, laboratory experiments were conducted with a core flow stimulation apparatus that allows for precise control and measurement of applied stress and strain, static confinement, and fluid flow parameters. Results are reported for experiments on stimulated single-phase and two-phase fluid flow behavior in 2.54-cm-diameter Berea sandstone cores. For all experiments, stimulation was applied to the cores in the form of sinusoidal, axial, mechanical stress coupled to the solid porous matrix at frequencies of 25 to 75 Hz. Applied stress RMS amplitudes ranged from 300 to 1200 kPa and, at these levels, produced coupled, pore-pressure fluctuations of much less than 1.2 to 4.8 kPa, respectively. During single-phase brine flow, stimulation increased the absolute permeability of the rock by 10-20%. This was caused by mobilizing in situ clay particles that were partially plugging the pore throats. During two-phase, steady-state, constant-rate flow of oil-brine and decane-brine mixtures, stimulation caused significant changes in the bulk fluid pressure drop across the core. The pressure changes showed a strong dependence on the viscosity of the nonwetting fluid phase (oil or decane) relative to the wetting phase (brine). This may indicate that relative changes in the mobility of wetting versus nonwetting fluid phases were induced by the dynamic stress. Under the specific experimental conditions used, pore-scale particle perturbation and altered wettability are possible physical mechanisms that can explain the results. (c) 2005 Pleiades Publishing, Inc. C1 Los Alamos Natl Lab, Earth & Environm Sci Div EES 11, Los Alamos, NM 87545 USA. RP Roberts, PM (reprint author), Los Alamos Natl Lab, Earth & Environm Sci Div EES 11, Mail Stop D443, Los Alamos, NM 87545 USA. EM proberts@lanl.gov NR 22 TC 8 Z9 8 U1 5 U2 15 PU MAIK NAUKA/INTERPERIODICA PUBL PI MELVILLE PA C/O AMERICAN INST PHYSICS, 2 HUNTINGTON QUANDRANGLE, STE 1NO1, MELVILLE, NY 11747-4502 USA SN 1063-7710 J9 ACOUST PHYS+ JI Acoust. Phys. PY 2005 VL 51 SU 1 BP S140 EP S148 DI 10.1134/1.2133962 PG 9 WC Acoustics SC Acoustics GA 991HW UT WOS:000233804400016 ER PT J AU Matveev, KI AF Matveev, KI TI Reduced-order modeling of vortex-driven excitation of acoustic modes SO ACOUSTICS RESEARCH LETTERS ONLINE-ARLO LA English DT Article ID INSTABILITIES; FLOW AB Vortex shedding that occurs in ducts with baffles in the presence of mean flow often leads to excitation of acoustic modes. Resulting flow oscillations may feed back to the process of vortex formation. A simple model is proposed for describing this complex interaction using the hypotheses for a quasi-steadiness of vortex shedding and for a short-period acoustic perturbation at the moment of vortex collision with a downstream baffle. The model is capable of predicting typical real-system phenomena, such as the lock-in of a dominant frequency of the vortex-acoustic instability in some ranges of the mean flow velocity. (C) 2005 Acoustical Society of America. C1 Los Alamos Natl Lab, Condensed Matter & Thermal Phys Grp, Los Alamos, NM 87545 USA. RP Matveev, KI (reprint author), Los Alamos Natl Lab, Condensed Matter & Thermal Phys Grp, POB 1663, Los Alamos, NM 87545 USA. EM matveev@lanl.gov NR 17 TC 1 Z9 1 U1 0 U2 1 PU ACOUSTICAL SOC AMER AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1529-7853 J9 ACOUST RES LETT ONL JI Acoust. Res. Lett. Online-ARLO PD JAN PY 2005 VL 6 IS 1 BP 14 EP 19 DI 10.1121/1.1815253 PG 6 WC Acoustics SC Acoustics GA 880FA UT WOS:000225773200003 ER PT J AU Nalla, RK Balooch, M Ager, JW Kruzic, JJ Kinney, JH Ritchie, RO AF Nalla, RK Balooch, M Ager, JW Kruzic, JJ Kinney, JH Ritchie, RO TI Effects of polar solvents on the fracture resistance of dentin: role of water hydration SO ACTA BIOMATERIALIA LA English DT Article DE dentin; fracture toughness; R-curve; dehydration; hydrogen bonding ID TOUGHENING MECHANISMS; SOLUBILITY PARAMETER; DEMINERALIZED DENTIN; BOUND WATER; COLLAGEN; TOUGHNESS; CONFORMATION; ORIENTATION; STIFFNESS; PEPTIDE C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. Univ Calif San Francisco, Dept Prevent & Restorat Dent Sci, San Francisco, CA 94143 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Ritchie, RO (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM roritchie@lbl.gov RI Rastelli, Marcio/B-8034-2011; Ritchie, Robert/A-8066-2008; Kruzic, Jamie/M-3558-2014; OI Ritchie, Robert/0000-0002-0501-6998; Kruzic, Jamie/0000-0002-9695-1921; Ager, Joel/0000-0001-9334-9751 FU NIDCR NIH HHS [P01DE09859] NR 38 TC 58 Z9 59 U1 0 U2 8 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1742-7061 J9 ACTA BIOMATER JI Acta Biomater. PD JAN PY 2005 VL 1 IS 1 BP 31 EP 43 DI 10.1016/j.actbio.2004.08.002 PG 13 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA 008EW UT WOS:000235024000004 PM 16701778 ER PT J AU Liao, J Yang, L Grashow, J Sacks, MS AF Liao, J Yang, L Grashow, J Sacks, MS TI Molecular orientation of collagen in intact planar connective tissues under biaxial stretch SO ACTA BIOMATERIALIA LA English DT Article DE collagen orientation; small angle X-ray scattering; small angle light scattering; stress relaxation; bovine pericardium ID X-RAY-DIFFRACTION; STRUCTURAL CONSTITUTIVE MODEL; HEART-VALVE BIOMATERIALS; ANGLE LIGHT-SCATTERING; MECHANICAL-PROPERTIES; TENDON COLLAGEN; FIBER ORIENTATION; SYNCHROTRON-RADIATION; SELECTION SITES; TAIL TENDON C1 Univ Pittsburgh, Dept Bioengn, Engineered Tissue Mech Lab, Pittsburgh, PA 15219 USA. Univ Pittsburgh, McGowan Inst Regenerat Med, Pittsburgh, PA 15219 USA. Brookhaven Natl Lab, NSLS, Upton, NY 11973 USA. RP Sacks, MS (reprint author), Univ Pittsburgh, Dept Bioengn, Engineered Tissue Mech Lab, Room 234,100 Technol Dr, Pittsburgh, PA 15219 USA. EM msacks@pitt.edu RI Yang, Lin/D-5872-2013 OI Yang, Lin/0000-0003-1057-9194 FU NHLBI NIH HHS [HL63026] NR 42 TC 48 Z9 48 U1 2 U2 16 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1742-7061 J9 ACTA BIOMATER JI Acta Biomater. PD JAN PY 2005 VL 1 IS 1 BP 45 EP 54 DI 10.1016/j.actbio.2004.09.007 PG 10 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA 008EW UT WOS:000235024000005 PM 16701779 ER PT J AU Zehnder, RA Peper, SM Scott, BL Runde, WH AF Zehnder, RA Peper, SM Scott, BL Runde, WH TI Tetrapotassium dicarbonatodioxoperoxouranium(VI) 2.5-hydrate, K-4[U(CO3)(2)O-2(O-2)]center dot 2.5H(2)O SO ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS LA English DT Article ID PEROXIDE; CRYSTAL AB The title compound was obtained by reacting UO2 powder in 2 M K2CO3 with hydrogen peroxide. The compound contains individual [U(CO3)(2)O-2(O-2)](4-) ions, which are linked via an extended network of K atoms and hydrogen bonding. The U atom is coordinated to two trans-axial O atoms and six O atoms in the equatorial plane, forming distorted hexagonal bipyramids. The carbonate ligands are bound to the U center in a bidentate manner, with U - O bond distances ranging from 2.438 ( 5) to 2.488 ( 5) Angstrom. The peroxo group forms a three-membered ring with the U atom, with U - O bond distances of 2.256 ( 6) and 2.240 ( 6) Angstrom. The U=O bond distances of 1.806 ( 5) and 1.817 ( 5) Angstrom, and an O - U - O angle of 175.3 ( 3)degrees are characteristic of the linear uranyl(VI) unit. C1 Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Runde, WH (reprint author), Los Alamos Natl Lab, Div Chem, POB 1663, Los Alamos, NM 87545 USA. EM runde@lanl.gov RI Scott, Brian/D-8995-2017 OI Scott, Brian/0000-0003-0468-5396 NR 14 TC 6 Z9 6 U1 2 U2 5 PU BLACKWELL MUNKSGAARD PI COPENHAGEN PA 35 NORRE SOGADE, PO BOX 2148, DK-1016 COPENHAGEN, DENMARK SN 0108-2701 J9 ACTA CRYSTALLOGR C JI Acta Crystallogr. Sect. C-Cryst. Struct. Commun. PD JAN PY 2005 VL 61 BP I3 EP I5 DI 10.1107/S0108270104027994 PN 1 PG 3 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 902SI UT WOS:000227376400003 PM 15640562 ER PT J AU Baker, T Dauter, Z AF Baker, T Dauter, Z TI Redefining Acta D SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Editorial Material C1 Univ Auckland, Sch Biol Sci, Auckland 1, New Zealand. Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. RP Baker, T (reprint author), Univ Auckland, Sch Biol Sci, Private Bag 92-019, Auckland 1, New Zealand. NR 0 TC 2 Z9 2 U1 0 U2 0 PU BLACKWELL MUNKSGAARD PI COPENHAGEN PA 35 NORRE SOGADE, PO BOX 2148, DK-1016 COPENHAGEN, DENMARK SN 0907-4449 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD JAN PY 2005 VL 61 BP 1 EP 1 DI 10.1107/S0907444904032548 PN 1 PG 1 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 880MY UT WOS:000225795100001 ER PT J AU van den Bedem, H Lotan, I Latombe, JC Deacon, AM AF van den Bedem, H Lotan, I Latombe, JC Deacon, AM TI Real-space protein-model completion: an inverse-kinematics approach SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID ELECTRON-DENSITY MAPS; LOOP CLOSURE; POLYPEPTIDE SEGMENTS; STRUCTURE REFINEMENT; STRUCTURAL GENOMICS; MAIN-CHAIN; CRYSTALLOGRAPHY; OPTIMIZATION; PREDICTION; SOFTWARE AB Rapid protein-structure determination relies greatly on software that can automatically build a protein model into an experimental electron-density map. In favorable circumstances, various software systems are capable of building over 90% of the final model. However, completeness falls off rapidly with the resolution of the diffraction data. Manual completion of these partial models is usually feasible, but is time-consuming and prone to subjective interpretation. Except for the N- and C-termini of the chain, the end points of each missing fragment are known from the initial model. Hence, fitting fragments reduces to an inverse-kinematics problem. A method has been developed that combines fast inverse-kinematics algorithms with a real-space torsion-angle refinement procedure in a two-stage approach to fit missing main-chain fragments into the electron density between two anchor points. The first stage samples a large number of closing conformations, guided by the electron density. These candidates are ranked according to density fit. In a subsequent refinement stage, optimization steps are projected onto a carefully chosen subspace of conformation space to preserve rigid geometry and closure. Experimental results show that fitted fragments are in excellent agreement with the final refined structure for lengths of up to 12 - 15 residues in areas of weak or ambiguous electron density, even at medium to low resolution. C1 SLAC, Stanford Synchrotron Radiat Lab, Joint Ctr Struct Genom, Menlo Pk, CA 94025 USA. Stanford Univ, Dept Comp Sci, Stanford, CA 94305 USA. RP van den Bedem, H (reprint author), SLAC, Stanford Synchrotron Radiat Lab, Joint Ctr Struct Genom, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. EM vdbedem@slac.stanford.edu; adeacon@slac.stanford.edu OI van den Bedem, Henry/0000-0003-2358-841X FU NIGMS NIH HHS [P50 GM62411] NR 65 TC 40 Z9 42 U1 0 U2 2 PU BLACKWELL MUNKSGAARD PI COPENHAGEN PA 35 NORRE SOGADE, PO BOX 2148, DK-1016 COPENHAGEN, DENMARK SN 0907-4449 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD JAN PY 2005 VL 61 BP 2 EP 13 DI 10.1107/S0907444904025697 PN 1 PG 12 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 880MY UT WOS:000225795100002 PM 15608370 ER PT J AU Von Dreele, RB AF Von Dreele, RB TI Binding of N-acetylglucosamine oligosaccharides to hen egg-white lysozyme: a powder diffraction study SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID PROTEIN CRYSTAL-STRUCTURE; REFINEMENT; PROFILE; RESOLUTION; RIETVELD; VALIDATION; PARAMETERS; COMPLEX; QUALITY; MODEL AB The binding of N-acetylglucosamine oligosaccharides (NAG(n), n = 2 - 6) to hen egg-white lysozyme (HEWL; EC 3.2.1.17) was investigated by X-ray powder diffraction at room temperature. Each NAGn examined was found to bind to lysozyme in rapid-precipitation preparations in 1.0 M NaCl pH 6.0 buffer. The location of each NAGn was easily found from difference Fourier maps generated from structure factors extracted during preliminary Rietveld refinements. Full NAG(n) - protein structures were subjected to combined Rietveld and stereochemical restraint refinements (R-wp = 2.28 - 2.59%; R-p = 1.81 - 2.04%; R-F(2) = 3.91 - 5.80%) and revealed binding modes for NAGn that depended on the length of the NAG oligosaccharide. The NAG(2) ligand was found in the BC sites in the cleft of HEWL, NAG(3) was found to bind in both the ABC and BCD sites in the ratio 35: 65 and NAG(4) and NAG(5) bound to the ABCD and ABCDE sites, respectively, while NAG(6) only bound to sites ABCDE, leaving the F site empty with the remaining saccharide ring located in a solvent region adjacent to the A site. All protein powder diffraction patterns in this study consisted of extremely sharp Bragg peaks consistent with similar to 1 mum crystallites that were devoid of line-broadening defects. Details of the stereochemical restraints used in these refinements and their impact on structural validation are also discussed. C1 Argonne Natl Lab, XPS Div, Argonne, IL 60439 USA. Argonne Natl Lab, IPNS Div, Argonne, IL 60439 USA. RP Von Dreele, RB (reprint author), Argonne Natl Lab, XPS Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM vondreele@anl.gov NR 39 TC 32 Z9 33 U1 2 U2 7 PU BLACKWELL MUNKSGAARD PI COPENHAGEN PA 35 NORRE SOGADE, PO BOX 2148, DK-1016 COPENHAGEN, DENMARK SN 0907-4449 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD JAN PY 2005 VL 61 BP 22 EP 32 DI 10.1107/S0907444904025715 PN 1 PG 11 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 880MY UT WOS:000225795100004 PM 15608372 ER PT J AU Heller, WT AF Heller, WT TI Influence of multiple well defined conformations on small-angle scattering of proteins in solution SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID X-RAY-SCATTERING; CALMODULIN-BINDING DOMAIN; LIGHT-CHAIN KINASE; CATALYTIC-SUBUNIT; BIOLOGICAL MACROMOLECULES; STAPHYLOCOCCAL NUCLEASE; GENETIC ALGORITHM; DENATURED STATES; CYTOCHROME-C; RESOLUTION AB A common structural motif for many proteins comprises rigid domains connected by a flexible hinge or linker. The flexibility afforded by these domains is important for proper function and such proteins may be able to adopt more than one conformation in solution under equilibrium conditions. Small-angle scattering of proteins in solution samples all conformations that exist in the sampled volume during the time of the measurement, providing an ensemble-averaged intensity. In this paper, the influence of sampling an ensemble of well defined protein structures on the small-angle solution scattering intensity profile is examined through common analysis methods. Two tests were performed using simulated data: one with the extended and collapsed states of the bilobal calcium-binding protein calmodulin and the second with the catalytic subunit of protein kinase A, which has two globular domains connected by a glycine hinge. In addition to analyzing the simulated data for the radii of gyration R-g, distance distribution function P(r) and particle volume, shape restoration was applied to the simulated data. Rg and P( r) of the ensemble profiles could be easily mistaken for a single intermediate state. The particle volumes and models of the ensemble intensity profiles show that some indication of multiple conformations exists in the case of calmodulin, which manifests an enlarged volume and shapes that are clear superpositions of the conformations used. The effect on the structural parameters and models is much more subtle in the case of the catalytic subunit of protein kinase A. Examples of how noise influences the data and analyses are also presented. These examples demonstrate the loss of the indications of multiple conformations in cases where even broad distributions of structures exist. While the tests using calmodulin show that the ensemble states remain discernible from the other ensembles tested or a single partially collapsed state, the tests performed using the simulated catalytic subunit of protein kinase A with noise added demonstrate that it can mask out the ensemble-dependent effects observed for the noiseless profiles. C1 Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Ctr Struct Mol Biol, Oak Ridge, TN 37831 USA. RP Heller, WT (reprint author), Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. EM hellerwt@ornl.gov NR 44 TC 31 Z9 31 U1 0 U2 6 PU BLACKWELL MUNKSGAARD PI COPENHAGEN PA 35 NORRE SOGADE, PO BOX 2148, DK-1016 COPENHAGEN, DENMARK SN 0907-4449 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD JAN PY 2005 VL 61 BP 33 EP 44 DI 10.1107/S0907444904025855 PN 1 PG 12 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 880MY UT WOS:000225795100005 PM 15608373 ER PT J AU Sekar, K Rajakannan, V Gayathri, D Velmurugan, D Poi, MJ Dauter, M Dauter, Z Tsai, MD AF Sekar, K Rajakannan, V Gayathri, D Velmurugan, D Poi, MJ Dauter, M Dauter, Z Tsai, MD TI Atomic resolution (0.97 angstrom) structure of the triple mutant (K53,56,121M) of bovine pancreatic phospholipase A(2) SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS LA English DT Article ID X-RAY STRUCTURE; CRYSTAL-STRUCTURES; FUNCTIONAL ROLES; CALCIUM-ION; REFINEMENT; INHIBITOR; INTERFACE; MECHANISM; COMPLEX C1 Indian Inst Sci, Bioinformat Ctr, Bangalore 560012, Karnataka, India. Indian Inst Sci, Supercomp Educ & Res Ctr, Bangalore 560012, Karnataka, India. Univ Madras, Dept Crystallog & Biophys, Madras 600025, Tamil Nadu, India. Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA. Ohio State Univ, Ohio State Biotechnol Program, Columbus, OH 43210 USA. Acad Sinica, Taipei, Taiwan. Brookhaven Natl Lab, SAIC Frederick Inc, Basic Res Program, Upton, NY 11973 USA. NCI, Macromol Crystallog Lab, Synchrotron Radiat Res Sect, Upton, NY 11973 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. RP Sekar, K (reprint author), Indian Inst Sci, Bioinformat Ctr, Bangalore 560012, Karnataka, India. EM sekar@physics.iisc.ernet.in FU NIGMS NIH HHS [R01 GM057568, GM 41788, GM 57568] NR 29 TC 9 Z9 9 U1 0 U2 0 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1744-3091 J9 ACTA CRYSTALLOGR F JI Acta Crystallogr. F-Struct. Biol. Cryst. Commun. PD JAN PY 2005 VL 61 BP 3 EP 7 DI 10.1107/S1744309104021748 PN 1 PG 5 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 968IX UT WOS:000232157000002 PM 16508077 ER PT J AU Vincent, J Shan, L Fan, M Brunzelle, JS Forman, BM Fernandez, EJ AF Vincent, J Shan, L Fan, M Brunzelle, JS Forman, BM Fernandez, EJ TI Crystallographic analysis of murine constitutive androstane receptor ligand-binding domain complexed with 5 alpha-androst-16-en-3 alpha-ol SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS LA English DT Article ID CAR; METABOLISM; INDUCTION C1 City Hope Natl Med Ctr, Beckman Res Inst, Dept Gene Regulat & Drug Discovery, Duarte, CA 91010 USA. Univ Tennessee, Dept Biochem, Knoxville, TN 37996 USA. Northwestern Univ, Adv Photon Source, Adv Sci Collaborat Access Team, Argonne, IL 60439 USA. RP Fernandez, EJ (reprint author), City Hope Natl Med Ctr, Beckman Res Inst, Dept Gene Regulat & Drug Discovery, Duarte, CA 91010 USA. EM elias.fernandez@utk.edu FU NIDDK NIH HHS [R01 DK066394-02, R01 DK066394-04, R01 DK066394-03, R01 DK066394, R01 DK066394-01A2] NR 11 TC 1 Z9 1 U1 0 U2 0 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1744-3091 J9 ACTA CRYSTALLOGR F JI Acta Crystallogr. F-Struct. Biol. Cryst. Commun. PD JAN PY 2005 VL 61 BP 156 EP 159 DI 10.1107/S1744309104032762 PN 1 PG 4 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 968IX UT WOS:000232157000046 PM 16508121 ER PT J AU Bauer, W Kharzeev, D Lacey, RA Lisa, MA AF Bauer, W Kharzeev, D Lacey, RA Lisa, MA TI Heavy Ion Physics - Editors' Preface SO ACTA PHYSICA HUNGARICA A-HEAVY ION PHYSICS LA English DT Editorial Material C1 Michigan State Univ, E Lansing, MI 48824 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. SUNY Stony Brook, Stony Brook, NY 11794 USA. Ohio State Univ, Columbus, OH 43210 USA. RP Bauer, W (reprint author), Michigan State Univ, E Lansing, MI 48824 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU AKADEMIAI KIADO PI BUDAPEST PA PO BOX 245, H-1519 BUDAPEST, HUNGARY SN 1219-7580 J9 ACTA PHYS HUNG A JI Acta Phys Hung. A-Heavy Ion Phys. PY 2005 VL 24 IS 1-4 BP 1 EP 1 DI 10.1556/APH.24.2005.1-4.1 PG 1 WC Physics, Nuclear SC Physics GA 014RI UT WOS:000235497200001 ER PT J AU Debbe, R AF Debbe, R CA BRAHMS Collaboration TI BRAHMS results in the context of saturation and quantum evolution SO ACTA PHYSICA HUNGARICA A-HEAVY ION PHYSICS LA English DT Article DE deutron-gold collisions; saturation; quantum evolution; nuclear modification factors; RHIC ID GLUON DISTRIBUTION-FUNCTIONS; WEIZSACKER-WILLIAMS FIELD; COLOR GLASS CONDENSATE; LARGE NUCLEUS; TRANSVERSE-MOMENTUM; COLLISIONS AB We report BRAHMS results from RHIC d + Au and p+p collisions at root sNN = 200 GeV. A remarkable change in the nuclear modification factor R-dAu is seen as the pseudorapidity of the detected charged hadrons changes from zero at mid-rapidity to 3.2 at the most forward angle studied during the 2003 run. For pseudorapidity eta > 1 the suppression of the R-cp factor is more pronounced in the sample of central events in contrast to the behavior at mid-rapidity where the central events show higher enhancement compared to a semi-central sample. These results are consistent with a saturated Au wave function strongly affected by quantum evolution at higher values of rapidity. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP Debbe, R (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. NR 22 TC 1 Z9 1 U1 0 U2 0 PU AKADEMIAI KIADO PI BUDAPEST PA PO BOX 245, H-1519 BUDAPEST, HUNGARY SN 1219-7580 J9 ACTA PHYS HUNG A JI Acta Phys Hung. A-Heavy Ion Phys. PY 2005 VL 24 IS 1-4 BP 15 EP 21 DI 10.1556/APH.24.2005.1-4.3 PG 7 WC Physics, Nuclear SC Physics GA 014RI UT WOS:000235497200003 ER PT J AU Bass, SA Muller, B Srivastava, DK AF Bass, SA Muller, B Srivastava, DK TI RHIC physics with the Parton cascade model SO ACTA PHYSICA HUNGARICA A-HEAVY ION PHYSICS LA English DT Article DE relativistic heavy ions; stopping; direct photons ID COLLISIONS; EVOLUTION; COHERENT; QCD AB We discuss the Parton Cascade Model and it's application to RHIC physics. In particular, we focus on an analysis of the net-baryon number rapidity distribution and on direct photon emission. C1 Duke Univ, Dept Phys, Durham, NC 27708 USA. Brookhaven Natl Lab, RIKEN, BNL, Res Ctr, Upton, NY 11973 USA. Variable Energy Cycltron Ctr, Kolkata 700064, W Bengal, India. RP Bass, SA (reprint author), Duke Univ, Dept Phys, Durham, NC 27708 USA. OI Bass, Steffen/0000-0002-9451-0954 NR 18 TC 3 Z9 3 U1 0 U2 0 PU AKADEMIAI KIADO RT PI BUDAPEST PA PRIELLE K U 19, PO BOX 245,, H-1117 BUDAPEST, HUNGARY SN 1219-7580 J9 ACTA PHYS HUNG A JI Acta Phys Hung. A-Heavy Ion Phys. PY 2005 VL 24 IS 1-4 BP 45 EP 50 DI 10.1556/APH.24.2005.1-4.7 PG 6 WC Physics, Nuclear SC Physics GA 014RI UT WOS:000235497200007 ER PT J AU Steinberg, P AF Steinberg, P TI Landau hydrodynamics and RHIC phenomena SO ACTA PHYSICA HUNGARICA A-HEAVY ION PHYSICS LA English DT Article DE hydrodynamics; heavy-ion collisions; charged-particle multiplicities; rapidity distributions; RHIC ID PARTICLE PRODUCTION; COLLISIONS; HADRONS; ANNIHILATION; MODELS; QCD AB The basic physical assumptions and results of Landau's hydrodynamic model of particle production are reviewed. It is argued that these results have sufficient descriptive and predictive power in strong-interaction phenomenology, including recent RHIC data, to warrant a closer examination of the physical assumptions. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP Brookhaven Natl Lab, Upton, NY 11973 USA. NR 30 TC 31 Z9 32 U1 0 U2 0 PU AKADEMIAI KIADO RT PI BUDAPEST PA PRIELLE K U 19, PO BOX 245,, H-1117 BUDAPEST, HUNGARY SN 1219-7580 J9 ACTA PHYS HUNG A JI Acta Phys Hung. A-Heavy Ion Phys. PY 2005 VL 24 IS 1-4 BP 51 EP 57 DI 10.1556/24.2005.1-4.8 PG 7 WC Physics, Nuclear SC Physics GA 014RI UT WOS:000235497200008 ER PT J AU Brown, DA Danielwicz, P Heffner, M Soltz, R AF Brown, DA Danielwicz, P Heffner, M Soltz, R TI Three-dimensional imaging analysis of two-particle correlations in heavy-ion reactions SO ACTA PHYSICA HUNGARICA A-HEAVY ION PHYSICS LA English DT Article DE two-particle correlations; Hanbury-Brown/Twiss effect; source imaging ID COLLISIONS AB We report an extension of the source imaging method for imaging full three-dimensional sources from three-dimensional like-pair correlations. Our technique consists of expanding the correlation data and the underlying source function in spherical harmonics and inverting the resulting system of one-dimensional integral equations. With this method of attack, we can image the source function quickly, even with the extremely large data sets common in three-dimensional analyses. We apply our method to the recently measured E859 un-Coulomb corrected data. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Michigan State Univ, E Lansing, MI 48824 USA. RP Brown, DA (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. NR 11 TC 2 Z9 2 U1 0 U2 0 PU AKADEMIAI KIADO PI BUDAPEST PA PO BOX 245, H-1519 BUDAPEST, HUNGARY SN 1219-7580 J9 ACTA PHYS HUNG A JI Acta Phys Hung. A-Heavy Ion Phys. PY 2005 VL 24 IS 1-4 BP 111 EP 117 DI 10.1556/APH.24.2005.1-4.16 PG 7 WC Physics, Nuclear SC Physics GA 014RI UT WOS:000235497200016 ER PT J AU Bleicher, M Bandyopadhyay, D Bratkovskaya, EL Reiter, M Soff, S Stocker, H van Leeuwen, M Bass, SA Cassing, W AF Bleicher, M Bandyopadhyay, D Bratkovskaya, EL Reiter, M Soff, S Stocker, H van Leeuwen, M Bass, SA Cassing, W TI Transverse pressure in relativistic nuclear collisions: Evidence for partonic interactions? SO ACTA PHYSICA HUNGARICA A-HEAVY ION PHYSICS LA English DT Article DE heavy ion collision; flow; excitation function ID HEAVY-ION COLLISIONS; PLUS AU REACTIONS; EXCITATION-FUNCTION; STATE; ENERGIES; EQUATION; MATTER; GEV/C; KAON; SIS AB Transverse hadron spectra from proton-proton, proton-nucleus and nucleus-nucleus collisions from 2 A.GeV to 21.3 A.TeV are investigated within two independent transport approaches (HSD and UrQMD). For central Au+Au (Pb+Pb) collisions at energies above E-lab similar to 5 A.GeV, the measured K+/- transverse mass spectra have a larger inverse slope parameter than expected from the default calculations. The additional pressure - as supported by lattice QCD calculations at finite quark chemical potential mu(q) and temperature T might be generated by strong interactions in the early pre-hadronic/partonic phase of central Au+Au (Pb+Pb) collisions [1]. C1 Goethe Univ Frankfurt, Inst Theoret Phys, D-60054 Frankfurt, Germany. Saha Inst Nucl Phys, Kolkata 700009, W Bengal, India. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Duke Univ, Dept Phys, Durham, NC 27708 USA. Univ Giessen, Inst Theoret Phys, D-35392 Giessen, Germany. RP Bleicher, M (reprint author), Goethe Univ Frankfurt, Inst Theoret Phys, D-60054 Frankfurt, Germany. RI Bleicher, Marcus/A-2758-2010; Stoecker, Horst/D-6173-2013; OI Stoecker, Horst/0000-0002-3282-3664; van Leeuwen, Marco/0000-0002-5222-4888; Bass, Steffen/0000-0002-9451-0954 NR 39 TC 0 Z9 0 U1 0 U2 0 PU AKADEMIAI KIADO RT PI BUDAPEST PA PRIELLE K U 19, PO BOX 245,, H-1117 BUDAPEST, HUNGARY SN 1219-7580 J9 ACTA PHYS HUNG A JI Acta Phys Hung. A-Heavy Ion Phys. PY 2005 VL 24 IS 1-4 BP 181 EP 188 DI 10.1556/APH.24.2005.1-4.25 PG 8 WC Physics, Nuclear SC Physics GA 014RI UT WOS:000235497200025 ER PT J AU Tang, AH AF Tang, AH CA STAR Collaboration TI Anisotropic flow at RHIC SO ACTA PHYSICA HUNGARICA A-HEAVY ION PHYSICS LA English DT Article DE RHIC; anisotropic flow; STAR ID HEAVY-ION COLLISIONS; TIME PROJECTION CHAMBER; COLLECTIVE FLOW; STAR AB We present the first measurement of directed flow (v(1)) at the Relativistic Heavy Ion Collider (RHIC). v(1) is found to be consistent with zero at pseudorapidities eta from - 1.2 to 1.2, then rises to the level of a couple of percent over the range 2.4 < vertical bar eta vertical bar < 4. The latter observation is similar to that from NA49 if the SPS rapidities are shifted by the difference in beam rapidity between RHIC and SPS. We studied the evolution of elliptic flow from p+ p collisions through d+ Au collision, and onto Au+Au collisions. Measurements of higher harmonics are presented and discussed. C1 NIKHEF H, NL-1009 DB Amsterdam, Netherlands. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Tang, AH (reprint author), NIKHEF H, NL-1009 DB Amsterdam, Netherlands. NR 20 TC 0 Z9 0 U1 0 U2 2 PU AKADEMIAI KIADO RT PI BUDAPEST PA PRIELLE K U 19, PO BOX 245,, H-1117 BUDAPEST, HUNGARY SN 1219-7580 J9 ACTA PHYS HUNG A JI Acta Phys Hung. A-Heavy Ion Phys. PY 2005 VL 24 IS 1-4 BP 209 EP 214 DI 10.1556/APH.24.2005.1-4.28 PG 6 WC Physics, Nuclear SC Physics GA 014RI UT WOS:000235497200028 ER PT J AU Sorensen, P AF Sorensen, P TI Identified particle measurements at RHIC: Elucidating hadronization mechanisms for bulk partonic matter SO ACTA PHYSICA HUNGARICA A-HEAVY ION PHYSICS LA English DT Article DE nuclear modification; elliptic flow ID ROOT(S)(NN)=200 GEV; AU+AU COLLISIONS; ELLIPTIC FLOW AB Measurements of identified particle momentum spectra at root S-NN = 200 GeV are reviewed. Emphasis is placed on the azimuthal dependence and the centrality dependence of hadron yields at intermediate transverse momentum ( 1.5 < p(T) < 5 GeV/c). The first measurements of the fourth harmonic term (v(4)) in the azimuthal variation of identified particle yields are shown. The recombination mechanism of hadron formation provides a consistent description of the dependence of these measurements on particle-type. C1 Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Sorensen, P (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. OI Sorensen, Paul/0000-0001-5056-9391 NR 26 TC 4 Z9 4 U1 0 U2 1 PU AKADEMIAI KIADO RT PI BUDAPEST PA PRIELLE K U 19, PO BOX 245,, H-1117 BUDAPEST, HUNGARY SN 1219-7580 J9 ACTA PHYS HUNG A JI Acta Phys Hung. A-Heavy Ion Phys. PY 2005 VL 24 IS 1-4 BP 221 EP 226 DI 10.1556/APH.24.2005.1-4.30 PG 6 WC Physics, Nuclear SC Physics GA 014RI UT WOS:000235497200030 ER PT J AU Nonaka, C Fries, RJ Muller, B Bass, SA Asakawa, M AF Nonaka, C Fries, RJ Muller, B Bass, SA Asakawa, M TI Hadronization at RHIC: Interplay of recombination and fragmentation SO ACTA PHYSICA HUNGARICA A-HEAVY ION PHYSICS LA English DT Article DE relativistic heavy ion collisions; hadron production; elliptic flow ID POSITIVE-STRANGENESS; COLLISIONS; FLOW AB We discuss the hadron production in heavy ion collisions by the recombination and fragmentation model. We propose the elliptic flow as the useful tool for exploring final interactions for resonances, hadron structure for exotic particles and phase structure. C1 Duke Univ, Dept Phys, Durham, NC 27708 USA. Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. Brookhaven Natl Lab, RIKEN, Res Ctr, Upton, NY 11973 USA. Kyoto Univ, Dept Phys, Kyoto 6068502, Japan. RP Nonaka, C (reprint author), Duke Univ, Dept Phys, Durham, NC 27708 USA. OI Bass, Steffen/0000-0002-9451-0954 NR 23 TC 0 Z9 0 U1 0 U2 0 PU AKADEMIAI KIADO RT PI BUDAPEST PA PRIELLE K U 19, PO BOX 245,, H-1117 BUDAPEST, HUNGARY SN 1219-7580 J9 ACTA PHYS HUNG A JI Acta Phys Hung. A-Heavy Ion Phys. PY 2005 VL 24 IS 1-4 BP 227 EP 233 DI 10.1556/APH.24.2005.1-4.31 PG 7 WC Physics, Nuclear SC Physics GA 014RI UT WOS:000235497200031 ER PT J AU Burward-Hoy, JM AF Burward-Hoy, JM CA Phenix Collaboration TI J/Psi production and nuclear effects for d+Au and p+p collisions in PHENIX at RHIC SO ACTA PHYSICA HUNGARICA A-HEAVY ION PHYSICS LA English DT Article DE gluons; leptons; quarkonia; yields; proton; deuteron; gold ID SUPPRESSION AB The gluon structure function in a nucleon and its nuclear modification may be studied by measuring a particle called J/Psi that is produced primarily via gluon fusion in high energy collisions between protons or nuclei. The PHENIX Experiment at the Relativistic Heavy Ion Collider (RHIC) has measured the production of J/Psi particles in d + Au collisions at center-of-mass\ energies of 200 GeV per nucleon via its lepton decay channels (dielectrons and dimuons). In 2003, approximately 2000 J/Psi particles from the d + Au data set (and several hundred in p + p) has allowed for measures of its rapidity (between -2.2 and + 2.4) and momentum (between 0.5 and 5 GeV/c) distributions. In particular, the ratio of the rapidity distributions of J/Psi produced in d + Au and p + p collisions is measured as a function of the d + Au impact parameter (centrality dependence of the collision). These preliminary data will ultimately help us understand nuclear effects at this center - of - mass energy (including shadowing) in cold nuclear matter. In addition to comparisons to theoretical models, these data are also compared to the equivalent measurements of J/Psi produced in lower energy p - A collisions from Fermilab. C1 Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Burward-Hoy, JM (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87544 USA. EM janebh@lanl.gov NR 10 TC 0 Z9 0 U1 0 U2 0 PU AKADEMIAI KIADO RT PI BUDAPEST PA PRIELLE K U 19, PO BOX 245,, H-1117 BUDAPEST, HUNGARY SN 1219-7580 J9 ACTA PHYS HUNG A JI Acta Phys Hung. A-Heavy Ion Phys. PY 2005 VL 24 IS 1-4 BP 241 EP 246 DI 10.1556/APH.24.2005.1-4.33 PG 6 WC Physics, Nuclear SC Physics GA 014RI UT WOS:000235497200033 ER PT J AU Tannenbaum, MJ AF Tannenbaum, MJ CA PHENIX Collaboration TI Can the QGP be found using only an electromagnetic calorimeter? SO ACTA PHYSICA HUNGARICA A-HEAVY ION PHYSICS LA English DT Article DE Quark-Gluon Plasma; calorimeter; pizero; photon; suppression ID COLLISIONS; SCATTERING AB Measurements using the finely segmented EM Calorimeter in PHENIX are presented. The issue of whether these are sufficient to claim discovery of the Quark - Gluon Plasma is discussed. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP Tannenbaum, MJ (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. OI Tannenbaum, Michael/0000-0002-8840-5314 NR 19 TC 0 Z9 0 U1 0 U2 0 PU AKADEMIAI KIADO RT PI BUDAPEST PA PRIELLE K U 19, PO BOX 245,, H-1117 BUDAPEST, HUNGARY SN 1219-7580 J9 ACTA PHYS HUNG A JI Acta Phys Hung. A-Heavy Ion Phys. PY 2005 VL 24 IS 1-4 BP 259 EP 267 DI 10.1556/APH.24.2005.1-4.36 PG 9 WC Physics, Nuclear SC Physics GA 014RI UT WOS:000235497200036 ER PT J AU Wang, XN AF Wang, XN TI Discovery of jet quenching and beyond SO ACTA PHYSICA HUNGARICA A-HEAVY ION PHYSICS LA English DT Article DE jet quenching; QGP; heavy; ion collisions ID PARTON ENERGY-LOSS; SCATTERING; COLLISIONS; A+A AB Recent observation of high-p(T) hadron spectra suppression and mono-jet production in central Au + Au collisions and their absence in d + Au collisions at RHIC have confirmed the long predicted phenomenon of jet quenching in high-energy heavy-ion collisions. Detailed analyses of the experimental data also show parton energy loss as the mechanism for the discovered jet quenching. Using a pQCD parton model that incorporates medium modified parton fragmentation functions and comparing to experimental data from deeply inelastic scattering off nuclei, one can conclude that the initial gluon (energy) density of the hot matter produced in central Au+ Au collisions that causes jet quenching at RHIC is about 30 ( 100) times higher than in a cold Au nucleus. Combined with data on bulk and collective properties of the hot matter, the observed jet quenching provides strong evidence for the formation of a strongly interacting quark - gluon plasma in central Au+ Au collisions at RHIC. C1 Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Lawrence Berkeley Natl Lab, Div Nucl Sci, MS 70R0319, Berkeley, CA 94720 USA. OI Wang, Xin-Nian/0000-0002-9734-9967 NR 29 TC 1 Z9 2 U1 0 U2 0 PU AKADEMIAI KIADO RT PI BUDAPEST PA PRIELLE K U 19, PO BOX 245,, H-1117 BUDAPEST, HUNGARY SN 1219-7580 J9 ACTA PHYS HUNG A JI Acta Phys Hung. A-Heavy Ion Phys. PY 2005 VL 24 IS 1-4 BP 307 EP 312 DI 10.1556/APH.24.2005.1-4.42 PG 6 WC Physics, Nuclear SC Physics GA 014RI UT WOS:000235497200042 ER PT J AU Celata, CM AF Celata, CM TI Heavy ion fusion - Using heavy ions to make electricity SO ACTA PHYSICA HUNGARICA A-HEAVY ION PHYSICS LA English DT Article DE fusion; inertial; heavy-ion; nonneutral plasma ID BEAM AB The idea of using nuclear fusion as a source of commercial electrical power has been pursued worldwide since the 1950's. Two approaches, using "magnetic" and "inertial" confinement of the reactants, are understudy. This paper describes the difference between the two approaches, and discusses in more detail the "heavy-ion-driven" inertial fusion concept. A multibeam induction linear accelerator would be used to bring similar to 100 heavy ion beams to a few GeV. The beams would then heat and compress a target of solid D-T. This approach is unique among fusion concepts in its ability to protect the reaction chamber wall from neutrons and debris. C1 Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA USA. RP Celata, CM (reprint author), Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA USA. NR 9 TC 0 Z9 0 U1 0 U2 0 PU AKADEMIAI KIADO PI BUDAPEST PA PO BOX 245, H-1519 BUDAPEST, HUNGARY SN 1219-7580 J9 ACTA PHYS HUNG A JI Acta Phys Hung. A-Heavy Ion Phys. PY 2005 VL 24 IS 1-4 BP 337 EP 345 DI 10.1556/APH.24.2005.1-4.46 PG 9 WC Physics, Nuclear SC Physics GA 014RI UT WOS:000235497200046 ER PT J AU Harris, JW Bellwied, R Smirnov, N Steinberg, P Surrow, B Ullrich, T AF Harris, JW Bellwied, R Smirnov, N Steinberg, P Surrow, B Ullrich, T TI A comprehensive new detector for detailed study of the QGP, initial conditions and spin physics at RHIC II SO ACTA PHYSICA HUNGARICA A-HEAVY ION PHYSICS LA English DT Article DE quark-gluon plasma; quarkonium; deconfinement; jets; jet fragmentation; parton energy loss; color glass condensate; quark mass; proton spin; Relativistic Heavy Ion Collider ID HADRONIC COLLIDERS; POLARIZED BEAMS; ENERGY-LOSS; QCD; COLLISIONS; MATTER AB A case is presented for compelling physics at a high luminosity RHIC II collider. A comprehensive new detector system is introduced to address this physics. The experimental focus is on detailed jet tomography of the quark - gluon plasma (QGP), measuring gluon saturation in the nucleus, investigating the color glass condensate, measuring effects of the QCD vacuum on particle masses, determining the structure and dynamics within the proton and possible new phenomena. The physics and detector capabilities are introduced. C1 Yale Univ, New Haven, CT 06520 USA. Wayne State Univ, Detroit, MI 48201 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. MIT, Cambridge, MA 02139 USA. RP Harris, JW (reprint author), Yale Univ, New Haven, CT 06520 USA. NR 31 TC 0 Z9 0 U1 0 U2 1 PU AKADEMIAI KIADO PI BUDAPEST PA PO BOX 245, H-1519 BUDAPEST, HUNGARY SN 1219-7580 J9 ACTA PHYS HUNG A JI Acta Phys Hung. A-Heavy Ion Phys. PY 2005 VL 24 IS 1-4 BP 359 EP 370 DI 10.1556/APH.24.2005.1-4.49 PG 12 WC Physics, Nuclear SC Physics GA 014RI UT WOS:000235497200049 ER PT J AU Randrup, J AF Randrup, J TI Probes of phase decomposition in high-energy nuclear collisions SO ACTA PHYSICA HUNGARICA A-HEAVY ION PHYSICS LA English DT Article DE relativistic heavy-ion collisions; pattern selection and formation; specific phase transitions ID SPINODAL DECOMPOSITION; DROPLETS; FLOW AB High-energy nuclear collisions produce quark-gluon plasmas that expand and hadronize. If the associated phase transition is of first order then the hadronization should proceed through a spinodal phase separation. We explore here the possibility of identifying the associated clumping by analysis of suitable N-particle momentum correlations. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Randrup, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, Berkeley, CA 94720 USA. NR 21 TC 15 Z9 16 U1 0 U2 0 PU AKADEMIAI KIADO RT PI BUDAPEST PA PRIELLE K U 19, PO BOX 245,, H-1117 BUDAPEST, HUNGARY SN 1219-7580 J9 ACTA PHYS HUNG A JI Acta Phys Hung. A-Heavy Ion Phys. PY 2005 VL 22 IS 1-2 BP 69 EP 82 DI 10.1556/APH.22.2005.1-2.8 PG 14 WC Physics, Nuclear SC Physics GA 911WJ UT WOS:000228036900008 ER PT J AU Schweda, K Xu, N AF Schweda, K Xu, N TI Partonic collectivity in high-energy nuclear collisions SO ACTA PHYSICA HUNGARICA A-HEAVY ION PHYSICS LA English DT Article ID HEAVY-ION COLLISIONS; HADRON FREEZE-OUT; PB COLLISIONS; FINITE-TEMPERATURE; ELLIPTIC FLOW; LATTICE QCD; EXPANSION; EQUILIBRATION; TRANSITION; ANISOTROPY AB We show evidences for partonic flow in Au+Au collisions at RHIC. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Schweda, K (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM koschweda@lbl.gov; nxu@lbl.gov NR 43 TC 3 Z9 3 U1 0 U2 1 PU AKADEMIAI KIADO PI BUDAPEST PA PO BOX 245, H-1519 BUDAPEST, HUNGARY SN 1219-7580 J9 ACTA PHYS HUNG A JI Acta Phys Hung. A-Heavy Ion Phys. PY 2005 VL 22 IS 1-2 BP 103 EP 111 DI 10.1556/APH.22.2005.1-2.11 PG 9 WC Physics, Nuclear SC Physics GA 911WJ UT WOS:000228036900011 ER PT J AU Danielewicz, P Brown, DA Heffner, M Pratt, S Soltz, R AF Danielewicz, P Brown, DA Heffner, M Pratt, S Soltz, R TI Towards the 3D-imaging of sources SO ACTA PHYSICA HUNGARICA A-HEAVY ION PHYSICS LA English DT Article; Proceedings Paper CT Workshop on Hot and Dense Matter in Relativistic Heavy Ion Collisions CY MAR 24-27, 2004 CL Budapest, HUNGARY DE correlations; imaging ID HEAVY-ION REACTIONS AB Geometric details of a nuclear reaction zone, at the time of particle emission, can be restored from low relative-velocity particle-correlations, following imaging. Some of the source details get erased and are a potential cause of problems in the imaging, in the form of instabilities. These can be coped with by following the method of discretized optimization for the restored sources. So far it has been possible to produce 1-dimensional emission source images, corresponding to the reactions averaged over all possible spatial directions. Currently, efforts are in progress to restore angular details. C1 Michigan State Univ, Natl Supercond Cyclotron Lab, E Lansing, MI 48824 USA. Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Danielewicz, P (reprint author), Michigan State Univ, Natl Supercond Cyclotron Lab, E Lansing, MI 48824 USA. EM danielewicz@nscl.msu.edu NR 8 TC 4 Z9 4 U1 0 U2 2 PU AKADEMIAI KIADO RT PI BUDAPEST PA PRIELLE K U 19, PO BOX 245,, H-1117 BUDAPEST, HUNGARY SN 1219-7580 J9 ACTA PHYS HUNG A JI Acta Phys Hung. A-Heavy Ion Phys. PY 2005 VL 22 IS 3-4 BP 253 EP 262 DI 10.1556/APH.22.2005.3-4.11 PG 10 WC Physics, Nuclear SC Physics GA 956TT UT WOS:000231323400011 ER PT J AU David, G AF David, G TI Direct photons at RHIC - Preliminary results and prospects SO ACTA PHYSICA HUNGARICA A-HEAVY ION PHYSICS LA English DT Article; Proceedings Paper CT Workshop on Hot and Dense Matter in Relativistic Heavy Ion Collisions CY MAR 24-27, 2004 CL Budapest, HUNGARY DE relativistic heavy-ion collisions; direct photons ID HEAVY-ION COLLISIONS AB Penetrating probes like direct photons were always considered a crucial tool to study the initial conditions established in relativistic heavy ion collisions and to possibly map out the entire time history of the collision. Technically, however, the direct photon measurement is very challenging, primarily due to the large photon background from hadron decays. Now that after the first three years of RHIC operations the hadron spectra are well established there is art increased interest in the community to extract the spectrum of direct (non-hadronic) photons both from p+p, d+Au and Au+Au data. This paper reports on the currently available results and assesses what new results might be expected in the near future. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP David, G (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM david@bnl.gov NR 13 TC 0 Z9 0 U1 0 U2 0 PU AKADEMIAI KIADO RT PI BUDAPEST PA PRIELLE K U 19, PO BOX 245,, H-1117 BUDAPEST, HUNGARY SN 1219-7580 J9 ACTA PHYS HUNG A JI Acta Phys Hung. A-Heavy Ion Phys. PY 2005 VL 22 IS 3-4 BP 301 EP 307 DI 10.1556/APH.22.2005.3-4.16 PG 7 WC Physics, Nuclear SC Physics GA 956TT UT WOS:000231323400016 ER PT B AU Tandon, R Glass, SJ AF Tandon, R Glass, SJ BE Bradt, RC Munz, D Sakai, M White, KW TI Controlling the fragmentation behavior of stressed glass SO Active Materials, Nanoscale Materials, Composites, Glass and Fundamentals SE FRACTURE MECHANICS OF CERAMICS LA English DT Proceedings Paper CT 8th International Symposium on Fracture Mechanics of Ceramics CY FEB 25-28, 2003 CL Univ Houston, Houston, TX HO Univ Houston ID SURFACE COMPRESSION; ION-EXCHANGE; FRACTURE; CERAMICS C1 Sandia Natl Labs, Ceram Mat Dept, Albuquerque, NM 87185 USA. RP Tandon, R (reprint author), Sandia Natl Labs, Ceram Mat Dept, POB 5800, Albuquerque, NM 87185 USA. NR 17 TC 17 Z9 17 U1 0 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 0-387-24134-5 J9 FRACT MECH PY 2005 VL 14 BP 77 EP 91 PG 15 WC Materials Science, Ceramics; Mechanics; Materials Science, Composites SC Materials Science; Mechanics GA BDB47 UT WOS:000232366200007 ER PT B AU Becher, PF Painter, GS Lin, HT Ferber, MK AF Becher, PF Painter, GS Lin, HT Ferber, MK BE Bradt, RC Munz, D Sakai, M White, KW TI Tailoring the composition of self-reinforced silicon nitride ceramics to enhance mechanical behavior SO ACTIVE MATERIALS, NANOSCALE MATERIALS, COMPOSITES, GLASS AND FUNDAMENTALS SE FRACTURE MECHANICS OF CERAMICS LA English DT Proceedings Paper CT 8th International Symposium on Fracture Mechanics of Ceramics CY FEB 25-28, 2003 CL Univ Houston, Houston, TX HO Univ Houston ID IMPROVED FRACTURE-TOUGHNESS; MICROSTRUCTURAL DESIGN; OXYNITRIDE GLASSES; CREEP; ALUMINA; INTERFACES; WHISKERS; FILMS AB Studies have shown that seeding allows for greater control of the microstructure of self-reinforced beta-silicon nitride based ceramics, which when combined with tailoring of the sintering additives can results in significant improvements in fracture toughness and strength. Similar behavior was noted in alpha-SiAlONs. In beta-Si3N4 ceramics in which alumina serves as one of the additives, the larger elongated reinforcing grains result from the epitaxial deposition of Si6-zAlzOzN8-z layers on the Si3N4 core. Structural models show that the bond strength of the interface between the SiAlON and the amorphous intergranular film increases as the Al and 0 contents of the SiAlON increase. This is consistent with experiments that revealed interfacial debonding was promoted when the z-value of the SiAlON epitaxial layer was reduced. Compositional tailoring that leads to enhanced interfacial debonding and an increase in the fracture toughness. For a number of applications, creep resistance is also required in these ceramics. Recent results have been obtained in self-reinforced silicon nitride ceramics where controlled increases in the fraction of larger elongated reinforcing grains were found to reduce the creep rates. However, viscous flow in the amorphous intergranular films (IGF) in silicon nitride-based ceramics significantly impact their creep behavior and mechanical reliability at elevated temperatures. Recent studies of bulk Si-based oxynitride glasses have shown that increasing the nitrogen to oxygen (N:O), rare earth (RE): aluminum (Al) ratios of the glass and using smaller RE, ions raise the glass viscosities. Creep models suggest that this will improve the creep resistance of the silicon nitride ceramics, which is supported by the results of creep studies. The above findings are providing a framework for designing the next generation of silicon nitride-based ceramics by microstructural and compositional tailoring. C1 Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. RP Oak Ridge Natl Lab, Div Met & Ceram, POB 2008, Oak Ridge, TN 37831 USA. NR 27 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 0-387-24134-5 J9 FRACT MECH PY 2005 VL 14 BP 327 EP 335 PG 9 WC Materials Science, Ceramics; Mechanics; Materials Science, Composites SC Materials Science; Mechanics GA BDB47 UT WOS:000232366200026 ER PT B AU Watson, CS AF Watson, CS BE Bradt, RC Munz, D Sakai, M White, KW TI Strength and reliability of lead zirconate titanate ceramics SO Active Materials, Nanoscale Materials, Composites, Glass and Fundamentals SE FRACTURE MECHANICS OF CERAMICS LA English DT Proceedings Paper CT 8th International Symposium on Fracture Mechanics of Ceramics CY FEB 25-28, 2003 CL Univ Houston, Houston, TX HO Univ Houston ID DEFORMATION-BEHAVIOR; CRACK-PROPAGATION; INITIATION AB The influences of temperature and processing conditions (unpoled or poled-depoled) on strength, Weibull parameters and the stress-strain behavior of tin-modified lead zirconate titanate (PSZT) were evaluated in four-point bending. PSZT exhibited temperature-dependent non-linear and non-symmetric stress-strain behavior. A result of temperature dependent non-linearity was an apparent reduction in the flexural strength of PSZT as temperature increases. At room temperature the average stress in the outer-fiber of bend bars was 84 MPa, whereas, for specimens tested at 120 degrees C the average failure stress was only 64 MPa. The load-carrying capacity, however, did not change with temperature, but the degree of deformation tolerated by PSZT prior to failure increased with temperature. C1 Sandia Natl Labs, Ceram Mat Dept, Albuquerque, NM 87185 USA. RP Watson, CS (reprint author), Sandia Natl Labs, Ceram Mat Dept, POB 5800, Albuquerque, NM 87185 USA. NR 20 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 0-387-24134-5 J9 FRACT MECH PY 2005 VL 14 BP 485 EP 498 PG 14 WC Materials Science, Ceramics; Mechanics; Materials Science, Composites SC Materials Science; Mechanics GA BDB47 UT WOS:000232366200038 ER PT S AU Quirk, JJ AF Quirk, JJ BE Plewa, T Linde, T Weirs, VG TI Computational science - "Same Old Silence, Same Old Mistakes" "Something more is needed... " SO ADAPTIVE MESH REFINEMENT - THEORY AND APPLICATIONS SE LECTURE NOTES IN COMPUTATIONAL SCIENCE AND ENGINEERING LA English DT Proceedings Paper CT Workshop on Adaptive Mesh Refinement Methods CY SEP 03-05, 2003 CL Univ Chicago, Chicago, IL HO Univ Chicago ID SCHEMES AB Today it is fashionable to portray computation as the third leg of science, the other legs being the classical disciplines of experiment and theory. But in the rush to promote computational science's strengths, a blind eye is often turned to its weaknesses. This paper aims to increase awareness of a number of key deficiencies in the hope that the community can galvanize itself and tackle the identified issues head on. Specifically, the thesis to be developed here is that software automation could be used to package worked examples - in the form of dynamic electronic documents - that would allow interested parties, from different backgrounds, to communicate more effectively than at present. The hope, by making work easily repeatable, is that practical expertise can be properly archived. Currently, many avoidable mistakes are repeated time and time again as the mistakes do not lend themselves for journal publication and so go unrecorded. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Quirk, JJ (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 33 TC 2 Z9 2 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1439-7358 BN 3-540-21147-0 J9 LECT NOTES COMP SCI PY 2005 VL 41 BP 3 EP 28 PG 26 WC Astronomy & Astrophysics; Mathematics, Applied SC Astronomy & Astrophysics; Mathematics GA BBP86 UT WOS:000226971600001 ER PT S AU Weaver, RP Gittings, ML AF Weaver, RP Gittings, ML BE Plewa, T Linde, T Weirs, VG TI Massively parallel simulations with DOE's ASCI supercomputers: An overview of the Los Alamos Crestone Project SO ADAPTIVE MESH REFINEMENT - THEORY AND APPLICATIONS SE LECTURE NOTES IN COMPUTATIONAL SCIENCE AND ENGINEERING LA English DT Proceedings Paper CT Workshop on Adaptive Mesh Refinement Methods CY SEP 03-05, 2003 CL Univ Chicago, Chicago, IL HO Univ Chicago ID TARGETS AB The Los Alamos Crestone Project is part of the Department of Energy's (DOE) Accelerated Strategic Computing Initiative, or ASCI Program. The main goal of this software development project is to investigate the use of continuous adaptive mesh refinement (CAMR) techniques for application to problems of interest to the Laboratory. There are many code development efforts in the Crestone Project, both unclassified and classified codes. In this overview I will discuss the unclassified SAGE and the RAGE codes. The SAGE (SAIC adaptive grid Eulerian) code is a one-, two-, and three-dimensional, multimaterial, Eulerian, massively parallel hydrodynamics code for use in solving a variety of high-deformation flow problems. The RAGE CAMR code is built from the SAGE code by adding various radiation packages, improved setup utilities, and graphics packages. It is used for problems in which radiation transport of energy is important. The goal of these massively-parallel versions of the SAGE and RAGE codes is to run extremely large problems in a reasonable amount of calendar time. Our target is scalable performance to -10,000 processors on a I billion CAMR computational cell problem that requires hundreds of variables per cell, multiple physics packages (e.g., radiation and hydrodynamics), and implicit matrix solves for each cycle. A general description of the RAGE code has been published in [1], [2], [3] and [4]. Currently, the largest simulations we do are three-dimensional, using around 500 million computation cells and running for literally months of calendar time using similar to2000 processors. Current ASCI platforms range from several 3-teraOPS supercomputers to one 12-teraOPS machine at Lawrence Livermore National Laboratory, the White machine, and one 20-teraOPS machine installed at Los Alamos, the Q machine. Each machine is a system comprised of many component parts that must perform in unity for the successful run of these simulations. Key features of any massively parallel system include the processors, the disks, the interconnection between processors, the operating system, libraries for message passing and parallel I/O, and other fundamental units of the system. We will give an overview of the current status of the Crestone Project codes SAGE and RAGE. These codes are intended for general applications without tuning of algorithms or parameters. We have run a wide variety of physical applications from millimeter-scale laboratory laser experiments, to the multikilometer-scale asteroid impacts into the Pacific Ocean, to parsec-scale galaxy formation. Examples of these simulations will be shown. The goal of our effort is to avoid ad hoc models and attempt to rely on first-principles physics. In addition to the large effort on developing parallel code physics packages, a substantial effort in the project is devoted to improving the computer science and software quality engineering (SQE) of the Project codes as well as a sizable effort on the verification and validation (V&V) of the resulting codes. Examples of these efforts for our project will be discussed. C1 Los Alamos Natl Lab, Appl Phys X Div, Los Alamos, NM 87545 USA. RP Weaver, RP (reprint author), Los Alamos Natl Lab, Appl Phys X Div, Los Alamos, NM 87545 USA. NR 30 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1439-7358 BN 3-540-21147-0 J9 LECT NOTES COMP SCI PY 2005 VL 41 BP 29 EP 56 PG 28 WC Astronomy & Astrophysics; Mathematics, Applied SC Astronomy & Astrophysics; Mathematics GA BBP86 UT WOS:000226971600002 ER PT S AU Henshaw, WD AF Henshaw, WD BE Plewa, T Linde, T Weirs, VG TI Adaptive mesh refinement on overlapping grids SO ADAPTIVE MESH REFINEMENT - THEORY AND APPLICATIONS SE Lecture Notes in Computational Science and Engineering LA English DT Proceedings Paper CT Workshop on Adaptive Mesh Refinement Methods CY SEP 03-05, 2003 CL Univ Chicago, Chicago, IL HO Univ Chicago ID PARTIAL-DIFFERENTIAL EQUATIONS; COMPOSITE; FLOW AB In this chapter a short description will be given of the use of block structured adaptive mesh refinement with overlapping grids. The combination of overlapping grids and AMR leads to a powerful approach for efficiently solving problems with multiple space and time scales in complex geometry. Sample calculations will be presented demonstrating the approach on problems ranging from a simple convection-diffusion equation to the reactive Euler equations. C1 Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. RP Henshaw, WD (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, POB 5508, Livermore, CA 94551 USA. EM henshaw1@llnl.gov NR 23 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1439-7358 BN 3-540-21147-0 J9 LECT NOTES COMP SCI PY 2005 VL 41 BP 59 EP 71 PG 13 WC Astronomy & Astrophysics; Mathematics, Applied SC Astronomy & Astrophysics; Mathematics GA BBP86 UT WOS:000226971600003 ER PT S AU Anderson, RW Pember, RB Elliott, NS AF Anderson, RW Pember, RB Elliott, NS BE Plewa, T Linde, T Weirs, VG TI A dynamically adaptive arbitrary Lagrangian-Eulerian method for hydrodynamics SO ADAPTIVE MESH REFINEMENT - THEORY AND APPLICATIONS SE LECTURE NOTES IN COMPUTATIONAL SCIENCE AND ENGINEERING LA English DT Proceedings Paper CT Workshop on Adaptive Mesh Refinement Methods CY SEP 03-05, 2003 CL Univ Chicago, Chicago, IL HO Univ Chicago ID MESH REFINEMENT C1 Lawrence Livermore Natl Lab, Livermore, CA USA. RP Anderson, RW (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA USA. NR 18 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1439-7358 BN 3-540-21147-0 J9 LECT NOTES COMP SCI PY 2005 VL 41 BP 73 EP 81 PG 9 WC Astronomy & Astrophysics; Mathematics, Applied SC Astronomy & Astrophysics; Mathematics GA BBP86 UT WOS:000226971600004 ER PT S AU Li, ST Hui, U AF Li, ST Hui, U BE Plewa, T Linde, T Weirs, VG TI Dimensional split divergence-free reconstruction and prolongation for adaptive mesh refinement SO ADAPTIVE MESH REFINEMENT - THEORY AND APPLICATIONS SE LECTURE NOTES IN COMPUTATIONAL SCIENCE AND ENGINEERING LA English DT Proceedings Paper CT Workshop on Adaptive Mesh Refinement Methods CY SEP 03-05, 2003 CL Univ Chicago, Chicago, IL HO Univ Chicago ID NUMERICAL-SOLUTION; MAGNETOHYDRODYNAMICS; EQUATIONS AB A simple novel approach to preserve the divergence-free condition with adaptive mesh refinement is presented. The new approach uses only reconstructions on the coarse faces and the divergence-free condition to reconstruct the field values on the internal fine faces, and does not construct a global interpolation polynomial over a whole coarse cell. Therefore it can be easily applied to any refinement ratio. It is implemented via a directionally split approach in a directional splitting manner so that it can be applied to any kind of grids in any dimensions. Implementation is presented in the Cartesian, cylindrical and spherical geometries. It is shown by several 2D magneto-hydrodynamic simulations that such a method can keep the divergence-free error of magnetic fields at the round-off level. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Li, ST (reprint author), Los Alamos Natl Lab, T-7, Los Alamos, NM 87545 USA. NR 13 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1439-7358 BN 3-540-21147-0 J9 LECT NOTES COMP SCI PY 2005 VL 41 BP 125 EP 136 PG 12 WC Astronomy & Astrophysics; Mathematics, Applied SC Astronomy & Astrophysics; Mathematics GA BBP86 UT WOS:000226971600009 ER PT S AU Bell, J AF Bell, J BE Plewa, T Linde, T Weirs, VG TI AMR for low Mach number reacting flow SO ADAPTIVE MESH REFINEMENT - THEORY AND APPLICATIONS SE LECTURE NOTES IN COMPUTATIONAL SCIENCE AND ENGINEERING LA English DT Proceedings Paper CT Workshop on Adaptive Mesh Refinement Methods CY SEP 03-05, 2003 CL Univ Chicago, Chicago, IL HO Univ Chicago ID ADAPTIVE PROJECTION METHOD; NUMERICAL-SIMULATION; LAMINAR FLAMES; REFINEMENT; EQUATIONS; SLIT AB We present a summary of recent progress on the development and application of adaptive mesh refinement algorithms for low Mach number reacting flows. Our approach uses a form of the low Mach number equations based on a general equation of state that discretely conserves both mass and energy. The discretization methodology is based on a robust projection formulation that accommodates large density contrasts. The algorithm supports modeling of multicomponent systems and incorporates an operator-split treatment of stiff reaction terms. The basic computational approach is embedded in an adaptive projection framework that uses structured hierarchical grids with subcycling in time that preserves the discrete conservation properties of the underlying single-grid algorithm. We present numerical examples illustrating the application of the methodology to turbulent premixed combustion and nuclear flames in type la supernovae. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Bell, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. NR 32 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1439-7358 BN 3-540-21147-0 J9 LECT NOTES COMP SCI PY 2005 VL 41 BP 203 EP 221 PG 19 WC Astronomy & Astrophysics; Mathematics, Applied SC Astronomy & Astrophysics; Mathematics GA BBP86 UT WOS:000226971600014 ER PT S AU Howell, LH AF Howell, LH BE Plewa, T Linde, T Weirs, VG TI A parallel AMR implementation of the discrete ordinates method for radiation transport SO ADAPTIVE MESH REFINEMENT - THEORY AND APPLICATIONS SE LECTURE NOTES IN COMPUTATIONAL SCIENCE AND ENGINEERING LA English DT Proceedings Paper CT Workshop on Adaptive Mesh Refinement Methods CY SEP 03-05, 2003 CL Univ Chicago, Chicago, IL HO Univ Chicago ID ADAPTIVE MESH REFINEMENT; ALGORITHM; EQUATIONS AB Requirements for efficient parallel numerical computations fall into two broad categories: scalable algorithms and scalable implementations. For the discrete ordinates method the basic algorithmic building block is the transport sweep, and some form of convergence acceleration is required in order to combine sweeps into an efficient solver. This paper will focus on the implementation side of the issue. I will present a method for performing parallel transport sweeps in the context of a code for time-dependent radiation hydrodynamics using block-structured adaptive mesh refinement. Sweep patterns involving a single refinement level as well as sweeps coupling multiple levels will both be discussed. 2D and 3D numerical results will compare the parallel performance of these schemes with the multigrid solvers called by a radiation diffusion package implemented in the same code. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Howell, LH (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. NR 16 TC 3 Z9 3 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1439-7358 BN 3-540-21147-0 J9 LECT NOTES COMP SCI PY 2005 VL 41 BP 255 EP 270 PG 16 WC Astronomy & Astrophysics; Mathematics, Applied SC Astronomy & Astrophysics; Mathematics GA BBP86 UT WOS:000226971600017 ER PT S AU Klein, RI Fisher, RT McKee, CF Krumholz, M AF Klein, RI Fisher, RT McKee, CF Krumholz, M BE Plewa, T Linde, T Weirs, VG TI Recent advances in the collapse and fragmentation of turbulent molecular cloud cores: The formation of low mass stars SO ADAPTIVE MESH REFINEMENT - THEORY AND APPLICATIONS SE LECTURE NOTES IN COMPUTATIONAL SCIENCE AND ENGINEERING LA English DT Proceedings Paper CT Workshop on Adaptive Mesh Refinement Methods CY SEP 03-05, 2003 CL Univ Chicago, Chicago, IL HO Univ Chicago ID ADAPTIVE MESH REFINEMENT; DENSE CORES; DARK CLOUDS; HYDRODYNAMICS; PROTOSTARS AB The formation of Giant Molecular Clouds (GMCs) sets the stage for the formation of protostellar systems by the gravitational collapse of dense regions within the GMC that fragment into smaller core components that in turn condense into stars. Developing a theory of low mass star formation remains one of the most elusive, and most important, goals of theoretical astrophysics. Inherent in the difficulty in attaining this goal is that the gravitational collapse depends critically upon initial conditions within the cores which only recently have been known with sufficient accuracy to permit a realistic theoretical attack on the problem. Observations of stars in the vicinity of the Sun show that binary systems are prevalent and appear to be a general outcome of the collapse and fragmentation process. Despite years of progress, theoretical studies have still not determined why binary stars occur with such frequency, or indeed, even what processes determine the transition from single stars to binaries and thence to multiple stellar systems. One of the goals of this research is to understand the nature and physical properties of the formation of binary and multiple stellar systems with typical low mass stars 0.2 to 3 M-circle dot. Basic questions concerning this process remain unanswered. What determines the fraction of an unstable cloud that will fragment into protostellar objects? What determines the pattern of stellar clustering into binaries and multiple systems? Even after fragmentation occurs, we have little understanding of the subsequent collapse. Consequently, it is unclear how the mass distribution of fragments maps onto eventual stellar masses, something we must understand to explain the stellar initial mass function (IMF). We have developed a powerful numerical technology that will contribute to answering these questions. This technology consists of a parallel adaptive mesh refinement (AMR) self-gravitational radiation hydrodynamics code. Our 3-D AMR code dynamically and automatically inserts and removes patches of recursively finer mesh through computational space as dictated by the changing temporal and spatial resolution requirements of the simulation. This results in considerable computational efficiency over conventional codes when applied to problems involving gravitational collapse across many orders of magnitude in density at locations in the computational volume not determinable beforehand. In this paper we present preliminary results for the investigation of the parameter space of marginally stable, turbulent molecular cloud cores as they evolve from larger scale turbulent clouds. We discuss our initial conditions for molecular cloud cores and how they relate to observations of cloud cores. We present preliminary results of the collapse and fragmentation of turbulent cores leading to the formation of binary stellar systems and a preliminary calculation of the collapse of a 100 M-circle dot spherical core leading to high mass star formation. Finally, we briefly describe new advances in our code where we have developed a general moving sink particle method with AMR and a newly developed unsplit Godunov MHD capability. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Klein, RI (reprint author), Lawrence Livermore Natl Lab, L-023,5000 E Ave, Livermore, CA 94550 USA. NR 23 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1439-7358 BN 3-540-21147-0 J9 LECT NOTES COMP SCI PY 2005 VL 41 BP 431 EP 442 PG 12 WC Astronomy & Astrophysics; Mathematics, Applied SC Astronomy & Astrophysics; Mathematics GA BBP86 UT WOS:000226971600032 ER PT S AU Samtaney, R Jardin, SC Colella, P Martin, DF AF Samtaney, R Jardin, SC Colella, P Martin, DF BE Plewa, T Linde, T Weirs, VG TI Adaptive mesh refinement for MHD fusion applications SO ADAPTIVE MESH REFINEMENT - THEORY AND APPLICATIONS SE LECTURE NOTES IN COMPUTATIONAL SCIENCE AND ENGINEERING LA English DT Proceedings Paper CT Workshop on Adaptive Mesh Refinement Methods CY SEP 03-05, 2003 CL Univ Chicago, Chicago, IL HO Univ Chicago ID PELLET ABLATION; HYDROGEN PELLET; EFFICIENCY; PLASMA AB We present results from adaptive mesh refinement (AMR) simulations of two MUD applications relevant to magnetic fusion. The applications are: pellet injection in tokamaks (PI) and magnetic reconnection (MR). For PI, AMR is essential to provide the resolution required to simulate realistic pellet sizes relative to device dimensions (typical ratios are O(10(-3))). We present results from 3D AMR simulations in a tokamak geometry with emphasis on differences between the low-field and high-field side pellet launches. For MR, We present results from 2D AMR simulations in which both the outer "inviscid" region and the inner "resistive" region are well-resolved. AMR provides an efficient means of resolving the near-singular current sheets in the inner region where the actual breaking and reconnection of the magnetic field lines takes place. The numerical method developed is an explicit unsplit upwinding treatment of the 8-wave formulation, coupled with a MAC projection method to enforce the solenoidal property of the magnetic field. The Chombo framework is used for AMR. C1 Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Samtaney, R (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. NR 12 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1439-7358 BN 3-540-21147-0 J9 LECT NOTES COMP SCI PY 2005 VL 41 BP 491 EP 503 PG 13 WC Astronomy & Astrophysics; Mathematics, Applied SC Astronomy & Astrophysics; Mathematics GA BBP86 UT WOS:000226971600037 ER PT J AU Striolo, A Gubbins, KE Chialvo, AA Cummings, PT AF Striolo, A Gubbins, KE Chialvo, AA Cummings, PT TI The effect of pore connectivity on water adsorption isotherms in non-activated graphitic nanopores SO ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY LA English DT Article; Proceedings Paper CT 8th International Conference on Fundamentals of Adsorption CY MAY 23-28, 2004 CL Sedona, AZ SP Int Adsorpt Soc DE SPC/E water; carbon-slit pores; grand canonical Monte Carlo simulations ID REVERSE MONTE-CARLO; ACTIVATED CARBON; POROUS CARBONS; SIMULATION AB The adsorption of water in graphitic carbons is usually simulated via a weighted average of the adsorption isotherms simulated in carbon-slit pore of different widths. By following this procedure, details about pore morphology and pore connectivity may be overlooked. Towards a better match between virtual and real experiments, we present simulated adsorption isotherms for SPC/E model water in porous carbons composed by interconnected carbon-slit pores. The pores are separated from each other by one graphene layer. Imperfections (lack of carbon atoms) in the graphene layers result in interconnections between pores. The grand canonical Monte Carlo algorithm is used here to simulate water adsorption. Our results show that while the qualitative features obtained in the simulation of independent slit-shaped pores are reproduced when interconnected pores are considered, the adsorption isotherms rise more gradually and the adsorption/desorption hysteresis loops are narrower in the latter case. C1 Vanderbilt Univ, Dept Chem Engn, Nashville, TN 37235 USA. N Carolina State Univ, Dept Chem Engn, Raleigh, NC 27695 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Striolo, A (reprint author), Vanderbilt Univ, Dept Chem Engn, Nashville, TN 37235 USA. EM alberto.striolo@Vanderbilt.Edu RI Striolo, Alberto/G-2926-2011; Cummings, Peter/B-8762-2013 OI Chialvo, Ariel/0000-0002-6091-4563; Cummings, Peter/0000-0002-9766-2216 NR 17 TC 11 Z9 11 U1 1 U2 17 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0929-5607 J9 ADSORPTION JI Adsorpt.-J. Int. Adsorpt. Soc. PY 2005 VL 11 SU 1 BP 337 EP 341 DI 10.1007/s10450-005-5947-y PG 5 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 976HT UT WOS:000232724900056 ER PT J AU Santiso, EE George, AM Sliwinska-Bartkowiak, M Nardelli, MB AF Santiso, EE George, AM Sliwinska-Bartkowiak, M Nardelli, MB TI Effect of confinement on chemical reactions SO ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY LA English DT Article; Proceedings Paper CT 8th International Conference on Fundamentals of Adsorption CY MAY 23-28, 2004 CL Sedona, AZ SP Int Adsorpt Soc DE chemical reactions; confinement; porous carbon; density functional theory ID REACTION EQUILIBRIA; CARBON MICROPORES; 1,3-BUTADIENE; DENSITY; S-CIS-1,3-BUTADIENE; SPECTROSCOPY; ADSORPTION; SIMULATION; NANOTUBES; CONFORMER AB Molecular simulation studies of chemical equilibrium for several reactions in pores of slit-like and cylindrical geometry have shown a significant effect of the confinement on the equilibrium compositions, with differences of several orders of magnitude with respect to the bulk fluid phase in some cases. As a first step towards the calculation of rate constants in confinement, we have studied the reaction mechanisms for several reactions involving small organic molecules in slit-like pores. We show results for the rotational isomerization of 1,3-butadiene and the unimolecular decomposition of formaldehyde obtained using plane wave pseudopotential density functional theory (DFT). These examples show the influence that confinement can have through both geometrical constraints and fluid-wall interactions. C1 N Carolina State Univ, Dept Chem & Biomol Engn, Raleigh, NC 27695 USA. N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. Adam Mickiewicz Univ Poznan, Inst Phys, PL-61614 Poznan, Poland. Oak Ridge Natl Lab, CCS CSM, Oak Ridge, TN 37831 USA. RP Santiso, EE (reprint author), N Carolina State Univ, Dept Chem & Biomol Engn, Raleigh, NC 27695 USA. EM eesantis@unity.ncsu.edu RI Buongiorno Nardelli, Marco/C-9089-2009 NR 29 TC 16 Z9 16 U1 1 U2 10 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0929-5607 J9 ADSORPTION JI Adsorpt.-J. Int. Adsorpt. Soc. PY 2005 VL 11 SU 1 BP 349 EP 354 DI 10.1007/s10450-005-5949-9 PG 6 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 976HT UT WOS:000232724900058 ER PT J AU Striolo, A Naicker, PK Chialvo, AA Cummings, PT Gubbins, KE AF Striolo, A Naicker, PK Chialvo, AA Cummings, PT Gubbins, KE TI Simulated water adsorption isotherms in hydrophilic and hydrophobic cylindrical nanopores SO ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY LA English DT Article; Proceedings Paper CT 8th International Conference on Fundamentals of Adsorption CY MAY 23-28, 2004 CL Sedona, AZ SP Int Adsorpt Soc DE SPC/E water; grand canonical Monte Carlo simulations; Debye-functional analysis; XRD pattern ID CARBON NANOTUBES; ACTIVATED CARBON; MOLECULAR SIMULATION; VAPOR AB Grand canonical Monte Carlo simulations are performed to study the adsorption of water in single-walled carbon nanotubes (SWCNs). At room temperature the resulting adsorption isotherms in (10: 10) and wider SWCNs are characterized by negligible amount of water uptake at low pressures, sudden and complete pore filling once a threshold pressure is reached, and wide adsorption/desorption hysteresis loops. The width of these loops decreases as pore diameter narrows. Adsorption/desorption hysteresis loops are not observed for water adsorption in (6:6) SWCNs. When the nanotubes are doped with small amounts of oxygenated sites it is possible to obtain adsorption isotherms in which the water uptake increases gradually as the pressure increases. Simulated X-ray diffraction patterns for confined water are also reported. C1 Vanderbilt Univ, Dept Chem Engn, Nashville, TN 37235 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. N Carolina State Univ, Dept Chem Engn, Raleigh, NC 27695 USA. RP Striolo, A (reprint author), Vanderbilt Univ, Dept Chem Engn, Nashville, TN 37235 USA. EM alberto.striolo@Vanderbilt.Edu RI Striolo, Alberto/G-2926-2011; Cummings, Peter/B-8762-2013; OI Cummings, Peter/0000-0002-9766-2216; Chialvo, Ariel/0000-0002-6091-4563 NR 31 TC 20 Z9 20 U1 1 U2 13 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0929-5607 J9 ADSORPTION JI Adsorpt.-J. Int. Adsorpt. Soc. PY 2005 VL 11 SU 1 BP 397 EP 401 DI 10.1007/s10450-005-5957-9 PG 5 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 976HT UT WOS:000232724900066 ER PT J AU Burchell, TD Omatete, OO Gallego, NC Baker, FS AF Burchell, TD Omatete, OO Gallego, NC Baker, FS TI Use of carbon fibre composite molecular sieves for air separation SO ADSORPTION SCIENCE & TECHNOLOGY LA English DT Article ID PORE-SIZE DISTRIBUTION; MICROPOROUS CARBONS; ACTIVE CARBONS; ADSORPTION; GASES AB The adsorption of oxygen, nitrogen and carbon dioxide onto a carbon fibre composite was investigated using static and dynamic techniques. Molecular-sieving effects in the composite were highlighted by the adsorption of carbon dioxide, a more sensitive probe molecule for the presence of microporosity in adsorbents. The kinetic studies revealed that oxygen was more rapidly adsorbed on the composite than nitrogen and with a higher uptake under equilibrium conditions. Preliminary experiments indicated that the carbon fibre composite was capable of separating oxygen and nitrogen from air on the basis of the different diffusion rates of the two molecules in the micropore network of the composite. It is proposed that the relatively high electrical conductivity Of the carbon fibre composite material could be exploited for air separation by facilitating the production of O-2 and N-2 through electrical swing adsorption rather than the depressurization of adsorber beds. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Baker, FS (reprint author), Oak Ridge Natl Lab, POB 2008,MS-6087, Oak Ridge, TN 37831 USA. EM bakerfs@ornl.gov RI Burchell, Tim/E-6566-2017; OI Burchell, Tim/0000-0003-1436-1192; Gallego, Nidia/0000-0002-8252-0194 NR 28 TC 3 Z9 3 U1 2 U2 6 PU MULTI SCIENCE PUBL CO LTD PI BRENTWOOD PA 5 WATES WAY, BRENTWOOD CM15 9TB, ESSEX, ENGLAND SN 0263-6174 J9 ADSORPT SCI TECHNOL JI Adsorpt. Sci. Technol. PY 2005 VL 23 IS 3 BP 175 EP 194 DI 10.1260/0263617054353618 PG 20 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 943KB UT WOS:000230351200001 ER PT S AU Martin, ME Wabuyele, MB Panjehpour, M Phan, MN Overholt, BF DeNovo, RC Moyers, T Song, SG Vo-Dinh, T AF Martin, ME Wabuyele, MB Panjehpour, M Phan, MN Overholt, BF DeNovo, RC Moyers, T Song, SG Vo-Dinh, T BE VoDinh, T Grundfest, WS Benaron, DA Cohn, GE TI Dual modality fluorescence and reflectance hyperspectral imaging: principle and applications SO Advanced Biomedical and Clinical Diagnostic Systems III SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT Conference on Advanced Biomedical and Clinical Diagnostic Systems III CY JAN 23-26, 2005 CL San Jose, CA SP SPIE DE hyperspectral fluorescence spectroscopy; acousto-optic tunable filters; medical imaging; biomedical optics; laser-induced fluorescence ID ACOUSTOOPTIC TUNABLE FILTER; BARRETTS-ESOPHAGUS; CANCER-DIAGNOSIS; AOTF MICROSCOPE; SYSTEM; ENDOSCOPY; BIOPSY AB We present the principles and applications of our dual-modality fluorescence and reflectance hyperspectral imaging (DMHSI) system. In this paper we report on background work done using laser induced fluorescence (LIF) by the group in the early detection of esophageal cancer. We then demonstrate the capabilities of our new DMHSI system. The system consists of a laser, endoscope, AOTF, and two cameras coupled with optics and electronics. Preliminary results, performed on mouse tissue, show that the system can delineate normal and malignant tissue regions in real-time. C1 Oak Ridge Natl Lab, Ctr Adv Biomed Photon, Oak Ridge, TN 37831 USA. RP Vo-Dinh, T (reprint author), Oak Ridge Natl Lab, Ctr Adv Biomed Photon, Oak Ridge, TN 37831 USA. NR 26 TC 10 Z9 10 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 0-8194-5666-7 J9 P SOC PHOTO-OPT INS PY 2005 VL 5692 BP 133 EP 139 DI 10.1117/12.604445 PG 7 WC Engineering, Biomedical; Optics; Radiology, Nuclear Medicine & Medical Imaging SC Engineering; Optics; Radiology, Nuclear Medicine & Medical Imaging GA BCF50 UT WOS:000229038700016 ER PT S AU Wabuyele, MB Yan, F Griffin, GD Vo-Dinh, T AF Wabuyele, MB Yan, F Griffin, GD Vo-Dinh, T BE VoDinh, T Grundfest, WS Benaron, DA Cohn, GE TI Surface-enhanced Raman scattering molecular nanoprobes SO Advanced Biomedical and Clinical Diagnostic Systems III SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT Conference on Advanced Biomedical and Clinical Diagnostic Systems III CY JAN 23-26, 2005 CL San Jose, CA SP SPIE DE surface-enhanced Raman scattering; SERS; nanoprobe; colloids ID NANOPARTICLES; SPECTROSCOPY; PROTEINS; SILVER; SERS; DNA AB Nanoparticles are increasingly finding a wide application in the biological studies due to their unique physical and chemical properties. Colloidal nanoparticles are efficient substrate that exhibit surface-enhanced Raman scattering (SERS) phenomenon by enhancing the scattering cross-sections of conjugated Raman active molecules thus enabling highly sensitive biological probes. However, biological and medical applications would require nanoparticles to be conjugated to biomolecules. A universal approach for conjugation of mercarptoacetic acid-capped silver nanoparticles to biomolecules is described. The surface functionalized silver colloids were labeled with a Raman active dye and used for cellular imaging. We also described the use of silver nanoparticle to develop a new class of SERS nanoprobes for molecular recognition and detection of specific nucleic acid sequences. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Vo-Dinh, T (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. RI Yan, Fei/P-1330-2014 OI Yan, Fei/0000-0001-5983-143X NR 18 TC 2 Z9 2 U1 0 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 0-8194-5666-7 J9 P SOC PHOTO-OPT INS PY 2005 VL 5692 BP 209 EP 215 DI 10.1117/12.604447 PG 7 WC Engineering, Biomedical; Optics; Radiology, Nuclear Medicine & Medical Imaging SC Engineering; Optics; Radiology, Nuclear Medicine & Medical Imaging GA BCF50 UT WOS:000229038700025 ER PT S AU Wabuyele, MB Martin, ME Yan, F Stokes, DL Mobley, J Cullum, BM Wintenberg, A Lenarduzzi, R Vo-Dinh, T AF Wabuyele, MB Martin, ME Yan, F Stokes, DL Mobley, J Cullum, BM Wintenberg, A Lenarduzzi, R Vo-Dinh, T BE VoDinh, T Grundfest, WS Benaron, DA Cohn, GE TI Portable Raman device for detection of chemical and biological warfare agents SO Advanced Biomedical and Clinical Diagnostic Systems III SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT Conference on Advanced Biomedical and Clinical Diagnostic Systems III CY JAN 23-26, 2005 CL San Jose, CA SP SPIE DE Raman spectroscopy; homeland defense; surface-enhanced Raman scattering; SERS; chemical warfare agents; biological warfare agents; acousto-optic tunable filter and AOTF ID NO-MOVING-PARTS; SPECTROMETER; SPECTROFLUOROMETER; IDENTIFICATION; COMPACT; VAPOR; AOTF AB This paper describes a compact, self-contained, cost effective, and portable Raman Integrated Tunable Sensor (RAMiTs) for screening a wide variety of chemical and biological agents for homeland defense applications. The instrument is a fully-integrated, tunable, "point-and-shoot" Raman monitor based on solid-state acousto-optic tunable filter (AOTF) technology. It can provide direct identification and quantitative analysis of chemical and biological samples in a few seconds under field conditions. It also consists of a 830-nm diode laser for excitation, and an avalanche photodiode for detection. Evaluation of this instrument has been performed by analyzing several standard samples and comparing the results those obtained using a conventional Raman system. In addition to system evaluation, this paper will also discuss potential applications of the RAMiTs for detection of chemical and biological warfare agents. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Vo-Dinh, T (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. RI Yan, Fei/P-1330-2014 OI Yan, Fei/0000-0001-5983-143X NR 18 TC 1 Z9 1 U1 1 U2 10 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 0-8194-5666-7 J9 P SOC PHOTO-OPT INS PY 2005 VL 5692 BP 330 EP 336 DI 10.1117/12.604451 PG 7 WC Engineering, Biomedical; Optics; Radiology, Nuclear Medicine & Medical Imaging SC Engineering; Optics; Radiology, Nuclear Medicine & Medical Imaging GA BCF50 UT WOS:000229038700039 ER PT S AU Heine, DR Grest, GS Curro, JG AF Heine, DR Grest, GS Curro, JG BE Holm, C Kremer, K TI Structure of polymer melts and blends: Comparison of integral equation theory and computer simulations SO ADVANCED COMPUTER SIMULATION APPROACHES FOR SOFT MATTER SCIENCES I SE Advances in Polymer Science LA English DT Review; Book Chapter ID MOLECULAR-DYNAMICS SIMULATIONS; INTERACTION SITE MODEL; PAIR CORRELATION-FUNCTIONS; DENSITY-FUNCTIONAL THEORY; MONTE-CARLO SIMULATIONS; X-RAY-SCATTERING; CLASSICAL STATISTICAL MECHANICS; ANOMALOUS MIXING BEHAVIOR; BLOCK-COPOLYMER LIQUIDS; UNITED-ATOM DESCRIPTION AB This review covers the most recent developments using the Polymer Reference Interaction Site Model (PRISM) integral equation theory to study polymer melts and blends. Comparisons to computer simulations are presented that have isolated the deficiencies in the theory and led to improvements including the self-consistent approach where the theory is coupled with single chain Monte Carlo simulations. Using recent simulation results, we outline the strengths and weaknesses of the theory at different levels of detail, from coarse grained bead-spring models to explicit atom models. We conclude with an overview of future directions that are beginning to be undertaken. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Heine, DR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM drheine@sandia.gov; gsgrest@sandia.gov; jgcurro@sandia.gov RI Kremer, Kurt/G-5652-2011 NR 149 TC 33 Z9 33 U1 2 U2 24 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0065-3195 BN 3-540-22058-5 J9 ADV POLYM SCI JI Adv. Polym. Sci. PY 2005 VL 173 BP 209 EP 249 DI 10.1007/b99431 PG 41 WC Polymer Science SC Polymer Science GA BCP63 UT WOS:000230595000004 ER PT S AU Armstrong, DJ Smith, AV AF Armstrong, DJ Smith, AV BE Aksnes, A Amzajerdian, F Killinger, D Merhari, L TI Robust, efficient, optical-damage-resistant, 200 mJ nanosecond ultraviolet light source for satellite-based lidar applications SO ADVANCED DEVICES AND MATERIALS FOR LASER REMOTE SENSING SE Materials Research Society Symposium Proceedings LA English DT Proceedings Paper CT Symposium on Advanced Devices and Materials for Laser Remote Sensing held at the 2005 MRS Spring Meeting CY MAR 29-31, 2005 CL San Francisco, CA SP Mat Res Soc, NASA, Langley Res Ctr, SINTEF AB Conventional wisdom contends that high-energy nanosecond UV laser sources operate near the optical damage thresholds of their constituent materials. This notion is particularly true for nonlinear frequency converters like optical parametric oscillators, where poor beam quality combined with high intra-cavity fluence leads to catastrophic failure of crystals and optical coatings. The collective disappointment of many researchers supports this contention. However, we're challenging this frustrating paradigm by developing high-energy nanosecond UV sources that are efficient, mechanically robust, and most important, resistant to optical damage. Based on sound design principles developed through numerical modeling and rigorous laboratory testing, our sources generate 8 - 10 ns 190 mJ pulses at 320 nm with fluences < 1 J/cm(2). Using the second harmonic of a Q-switched, injection-seeded Nd:YAG laser as the pump source, we convert the near-IR Nd:YAG fundamental to UV with optical-to-optical efficiency exceeding 21%. C1 Sandia Natl Labs, Lasers Opt & Remote Sensing Dept, Albuquerque, NM 87185 USA. RP Sandia Natl Labs, Lasers Opt & Remote Sensing Dept, POB 5800, Albuquerque, NM 87185 USA. NR 6 TC 0 Z9 0 U1 0 U2 1 PU MATERIALS RESEARCH SOC PI WARRENDALE PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA SN 0272-9172 BN 1-55899-837-3 J9 MATER RES SOC SYMP P PY 2005 VL 883 BP 45 EP 49 PG 5 WC Instruments & Instrumentation; Materials Science, Multidisciplinary; Remote Sensing; Optics SC Instruments & Instrumentation; Materials Science; Remote Sensing; Optics GA BDB99 UT WOS:000232488200005 ER PT S AU Chang, JH Liu, J AF Chang, JH Liu, J BE Kim, HD Lin, HT Hoffmann, MJ TI Biomimetic application of hierarchically ordered nanoporous silica ceramics SO ADVANCED SI-BASED CERAMICS AND COMPOSITES SE KEY ENGINEERING MATERIALS LA English DT Article; Proceedings Paper CT International Symposium on New Frontier of Advanced Si-Based Ceramics and Composites (ISASC 2004) CY JUN 20-23, 2004 CL Gyeongju, SOUTH KOREA SP Korea Inst Machinery & Mat, Korean Ceram Soc, Ctr Adv Mat Proc, Amer Ceram Soc, Australian Ceram Soc, Chinese Ceram Soc, Ceram Soc Japan, Spanish Soc Ceram & Glass, AFOSR, AOARD, Korea Sci & Engn Fdn, Natl Res Lab, ONRIFO DE biomimetic; enzyme; catalysis; nitrophenol; hydroylsis; mesoporous silica ID MESOPOROUS SILICA; HYDROLYSIS; COPOLYMER; TRIBLOCK; ESTER AB This work describes chemically functionalized nanoporous silica as a novel catalyst for the rapid hydrolysis of a phenyl ester. Work demonstrates a very simple and flexible approach to control surface reactivity on the nanometer scale using a self-assembled organic monolayer consisting of polar, (dihydroxyl, carboxyl, ethylene-diamine, and dihydroimidazole), and non-polar (isobutyl) groups. All five functional groups are an essential requirement in preparing an enzyme-like catalyst because of the synergistic effect and hydrophobic partitioning, which has been verified by a C-13 Cp- MAS solid-state NMR technique. Catalytic activities were obtained from the catalytic efficiency constant and specificity constant using Michaelis-Menten kinetics. Catalytic activities were close to those of a natural enzyme when 12% of the surface was covered by hydrophobic isobutyl silane. The rate of enzyme catalyzed activity was dependent on the energy of the transition state as defined in terms of an energy barrier derived from the relationship between transfer free energy and specificity constant. C1 Korea Inst Cram Engn & Technol, Seoul 153801, South Korea. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Chang, JH (reprint author), Korea Inst Cram Engn & Technol, Seoul 153801, South Korea. EM jhchang@kicet.re.kr; jliu@sandia.gov NR 9 TC 1 Z9 1 U1 0 U2 1 PU TRANS TECH PUBLICATIONS LTD PI ZURICH-UETIKON PA BRANDRAIN 6, CH-8707 ZURICH-UETIKON, SWITZERLAND SN 1013-9826 BN 0-87849-965-2 J9 KEY ENG MAT PY 2005 VL 287 BP 33 EP 38 PG 6 WC Materials Science, Ceramics; Materials Science, Composites SC Materials Science GA BCB89 UT WOS:000228550000006 ER PT S AU Becher, PF Painter, GS Shibata, N Lin, HT Ferber, MK AF Becher, PF Painter, GS Shibata, N Lin, HT Ferber, MK BE Kim, HD Lin, HT Hoffmann, MJ TI Macro- to atomic-scale tailoring of Si3N4 ceramics to enhance properties SO ADVANCED SI-BASED CERAMICS AND COMPOSITES SE KEY ENGINEERING MATERIALS LA English DT Article; Proceedings Paper CT International Symposium on New Frontier of Advanced Si-Based Ceramics and Composites (ISASC 2004) CY JUN 20-23, 2004 CL Gyeongju, SOUTH KOREA SP Korea Inst Machinery & Mat, Korean Ceram Soc, Ctr Adv Mat Proc, Amer Ceram Soc, Australian Ceram Soc, Chinese Ceram Soc, Ceram Soc Japan, Spanish Soc Ceram & Glass, AFOSR, AOARD, Korea Sci & Engn Fdn, Natl Res Lab, ONRIFO DE silicon nitride ceramics; microstructure; composition; fracture toughness; creep resistance; intergranular films; elongated grains ID IMPROVED FRACTURE-TOUGHNESS; SILICON-NITRIDE CERAMICS; MICROSTRUCTURAL DESIGN; OXYNITRIDE GLASSES; ALUMINA; BEHAVIOR AB Silicon nitride ceramics are finding uses in numerous engineering applications because of their tendency to form whisker-like microstructures that can overcome the inherent brittle nature of ceramics. Studies now establish the underlying microscopic and atomic-scale principles for engineering a tough, strong ceramic. The theoretical predictions are confirmed by macroscopic observations and atomic level characterization of preferential segregation at the interfaces between the grains and the continuous nanometer thick amorphous intergranular film (IGF). Two interrelated factors must be controlled for this to occur including the generation of the elongated reinforcing grains during sintering and debonding of the interfaces between the reinforcing grains and the matrix. The reinforcing grains can be controlled by (1) seeding with beta particles and (2) the chemistry of the additives, which also can influence the interfacial debonding conditions. In addition to modifying the morphology of the reinforcing grains, it now appears that the combination of preferential segregation and strong bonding of the additives (e.g., the rare earths, RE) to the prism planes can also result in sufficiently weakens the bond of the interface with the IGF to promote debonding. Thus atomic-scale engineering may allow us to gain further enhancements in fracture properties. This new knowledge will enable true atomic-level engineering to be joined with micro-scale tailoring to develop the advanced ceramics that will be required for more efficient engines, new electronic device architectures and composites. C1 Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN USA. Oak Ridge Natl Lab, Div Condensed Matter Sci, Oak Ridge, TN USA. RP Becher, PF (reprint author), Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN USA. EM becherpf@ornl.gov RI Shibata, Naoya/E-5327-2013 NR 26 TC 5 Z9 5 U1 0 U2 2 PU TRANS TECH PUBLICATIONS LTD PI ZURICH-UETIKON PA BRANDRAIN 6, CH-8707 ZURICH-UETIKON, SWITZERLAND SN 1013-9826 BN 0-87849-965-2 J9 KEY ENG MAT PY 2005 VL 287 BP 233 EP 241 PG 9 WC Materials Science, Ceramics; Materials Science, Composites SC Materials Science GA BCB89 UT WOS:000228550000039 ER PT S AU Katoh, A Nozawa, T Kotani, M Ozawa, K Kohyama, A AF Katoh, A Nozawa, T Kotani, M Ozawa, K Kohyama, A BE Kim, HD Lin, HT Hoffmann, MJ TI Microstructures and flexural properties of high temperature-pyrolyzed PIP-SiC/SiC composites SO ADVANCED SI-BASED CERAMICS AND COMPOSITES SE KEY ENGINEERING MATERIALS LA English DT Article; Proceedings Paper CT International Symposium on New Frontier of Advanced Si-Based Ceramics and Composites (ISASC 2004) CY JUN 20-23, 2004 CL Gyeongju, SOUTH KOREA SP Korea Inst Machinery & Mat, Korean Ceram Soc, Ctr Adv Mat Proc, Amer Ceram Soc, Australian Ceram Soc, Chinese Ceram Soc, Ceram Soc Japan, Spanish Soc Ceram & Glass, AFOSR, AOARD, Korea Sci & Engn Fdn, Natl Res Lab, ONRIFO DE SiC/SiC ceramic composite; continuous fiber composite; polymer impregnation and pyrolysis; hybrid process; mechanical property; microstructure; elevated temperature strength ID FUSION APPLICATIONS; FIBERS AB Near-stoichiometric SiC fiber composites with polymer-derived high-crystallinity SiC matrices were produced and were characterized their microstructures and mechanical properties. The material was produced through repeated polymer-impregnation and pyrolysis (PIP) cycles of Tyranno™-SA sintered SiC fibers, following pyrolytic carbon and SiC bi-layer interphase deposition. Co-polymer of polycarbosilane (PCS) and polymethylsilane (PMS) was used as the precursor for near-stoichiometric SiC matrix. The final heat treatment was performed at 1100 - 1800&DEG; C in flowing commercial-purity argon. The produced composites were dense in general with small macro-porosity. Transmission electron microscopy revealed that the matrix microstructures after heat treatment at > 1500&DEG; C consisted of fine layers of SiC crystallites in amorphous SiC and carbon matrix. High temperature heat treatment promoted crystallization at the expense of porosity. No degradation of Tyranno-SA fiber was identified after heat treatment at 1800&DEG; C. PIP-composites with well-crystallized SiC matrices exhibited flexural fracture behavior very similar to that of chemically vapor infiltrated composites. The composites maintained ambient temperature strength up to 1000&DEG; C in air and to 1300&DEG; C in argon. C1 Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. Japan Aerosp Explorat Agcy, Inst Space Technol & Aeronaut, Tsukuba, Ibaraki 3058505, Japan. Kyoto Univ, Inst Adv Energy, Kyoto 6110011, Japan. RP Katoh, A (reprint author), Oak Ridge Natl Lab, Div Met & Ceram, POB 2008, Oak Ridge, TN 37831 USA. EM katohy@ornl.gov; nozawat@ornl.gov; kotani.masaki@jaxa.jp; kazumi@iae.kyoto-u.ac.jp; kohyama@iae.kyoto-u.ac.jp OI Katoh, Yutai/0000-0001-9494-5862 NR 13 TC 0 Z9 0 U1 0 U2 4 PU TRANS TECH PUBLICATIONS LTD PI ZURICH-UETIKON PA BRANDRAIN 6, CH-8707 ZURICH-UETIKON, SWITZERLAND SN 1013-9826 BN 0-87849-965-2 J9 KEY ENG MAT PY 2005 VL 287 BP 346 EP 351 PG 6 WC Materials Science, Ceramics; Materials Science, Composites SC Materials Science GA BCB89 UT WOS:000228550000056 ER PT S AU Ferber, MK Lin, HT AF Ferber, MK Lin, HT BE Kim, HD Lin, HT Hoffmann, MJ TI Environmental characterization of monolithic ceramics for gas turbine applications SO ADVANCED SI-BASED CERAMICS AND COMPOSITES SE KEY ENGINEERING MATERIALS LA English DT Article; Proceedings Paper CT International Symposium on New Frontier of Advanced Si-Based Ceramics and Composites (ISASC 2004) CY JUN 20-23, 2004 CL Gyeongju, SOUTH KOREA SP Korea Inst Machinery & Mat, Korean Ceram Soc, Ctr Adv Mat Proc, Amer Ceram Soc, Australian Ceram Soc, Chinese Ceram Soc, Ceram Soc Japan, Spanish Soc Ceram & Glass, AFOSR, AOARD, Korea Sci & Engn Fdn, Natl Res Lab, ONRIFO ID WATER-VAPOR; OXIDATION AB Over the last 30 years, a number of programs in Russia, Europe, Japan, and the United States have sought to introduce monolithic ceramic components into gas turbines with the goals of increasing efficiency and lowering emissions. High performance silicon nitride and silicon carbide ceramics typically have been leading candidates for use in these applications. Recent field tests involving silicon nitride vanes and blades have shown that these materials can experience significant recession due to the loss of the normally protective silica scale. This paper first summarizes key findings from these field tests and then describes a relatively simple method for evaluating environmental effects in a laboratory environment. C1 Oak Ridge Natl Lab, Ceram Sci & Technol Grp, Oak Ridge, TN 37831 USA. RP Ferber, MK (reprint author), Oak Ridge Natl Lab, Ceram Sci & Technol Grp, POB 2008,Bldg 4515,MS 6068, Oak Ridge, TN 37831 USA. NR 17 TC 8 Z9 8 U1 0 U2 1 PU TRANS TECH PUBLICATIONS LTD PI ZURICH-UETIKON PA BRANDRAIN 6, CH-8707 ZURICH-UETIKON, SWITZERLAND SN 1013-9826 BN 0-87849-965-2 J9 KEY ENG MAT PY 2005 VL 287 BP 367 EP 380 PG 14 WC Materials Science, Ceramics; Materials Science, Composites SC Materials Science GA BCB89 UT WOS:000228550000059 ER PT S AU Lin, HT Ferber, MK AF Lin, HT Ferber, MK BE Kim, HD Lin, HT Hoffmann, MJ TI Characterization of mechanical reliability of silicon nitride microturbine rotors SO ADVANCED SI-BASED CERAMICS AND COMPOSITES SE Key Engineering Materials LA English DT Article; Proceedings Paper CT International Symposium on New Frontier of Advanced Si-Based Ceramics and Composites (ISASC 2004) CY JUN 20-23, 2004 CL Gyeongju, SOUTH KOREA SP Korea Inst Machinery & Mat, Korean Ceram Soc, Ctr Adv Mat Proc, Amer Ceram Soc, Australian Ceram Soc, Chinese Ceram Soc, Ceram Soc Japan, Spanish Soc Ceram & Glass, AFOSR, AOARD, Korea Sci & Engn Fdn, Natl Res Lab, ONRIFO DE silicon nitride components; mechanical reliability; microturbine rotors AB This paper summarizes the recent results on component characterization efforts carried out to verify the mechanical reliability of SN237 and SN281 silicon nitride microturbine rotors manufactured by Kyocera. Mechanical properties of biaxial discs machined from airfoils of microturbine rotors were evaluated by a ball-on-ring test technique. Results showed that the mechanical properties of samples from airfoils with as-processed surfaces exhibited lower characteristic strength than those machined from the hub region with as-machined surfaces. The differences in mechanical performance and reliability between as-processed components and simple-shaped test coupons appear to arise mainly from differences in strength limiting flaw type and population. C1 Oak Ridge Natl Lab, Div Met & Ceram, Ceram Sci & Technol Grp, Oak Ridge, TN 37831 USA. RP Oak Ridge Natl Lab, Div Met & Ceram, Ceram Sci & Technol Grp, POB 2008, Oak Ridge, TN 37831 USA. NR 14 TC 3 Z9 3 U1 1 U2 1 PU TRANS TECH PUBLICATIONS LTD PI DURNTEN-ZURICH PA KREUZSTRASSE 10, 8635 DURNTEN-ZURICH, SWITZERLAND SN 1013-9826 BN 0-87849-965-2 J9 KEY ENG MATER PY 2005 VL 287 BP 393 EP 403 PG 11 WC Materials Science, Ceramics; Materials Science, Composites SC Materials Science GA BCB89 UT WOS:000228550000061 ER PT S AU Ueno, S Jayaseelan, DD Kondo, N Ohji, T Kanzaki, S Lin, HT AF Ueno, S Jayaseelan, DD Kondo, N Ohji, T Kanzaki, S Lin, HT BE Kim, HD Lin, HT Hoffmann, MJ TI Development of EBC for silicon nitride SO ADVANCED SI-BASED CERAMICS AND COMPOSITES SE KEY ENGINEERING MATERIALS LA English DT Article; Proceedings Paper CT International Symposium on New Frontier of Advanced Si-Based Ceramics and Composites (ISASC 2004) CY JUN 20-23, 2004 CL Gyeongju, SOUTH KOREA SP Korea Inst Machinery & Mat, Korean Ceram Soc, Ctr Adv Mat Proc, Amer Ceram Soc, Australian Ceram Soc, Chinese Ceram Soc, Ceram Soc Japan, Spanish Soc Ceram & Glass, AFOSR, AOARD, Korea Sci & Engn Fdn, Natl Res Lab, ONRIFO DE EBC; rare earth di-silicate; sputtering; sol-gel; reaction sintering; eutectic ID OXIDATION; SYSTEM; CORROSION; CERAMICS AB Various coating methods of EBC layer for silicon nitride were discussed. High density EBC layer was successfully coated by different techniques such as sputtering, sol-gel and reaction sintering methods. Water vapor corrosion and recession mechanisms of Lu2Si2O7 which is a potential material for EBC were discussed. The problems in the development of EBC revealed by corrosion tests were summarized. The most important problem addressed here was the corrosion of silica at grain boundary. Due to corrosion of silica at the boundary, formation of porous surface is inevitable, then the silicon nitride substrate gets easily oxidized and/or corroded by water vapor. To resolve this issue, we propose a new EBC material without boundary silica and the corrosion mechanism of this improved EBC material is discussed. C1 AIST, Synergy Mat Res Ctr, Moriyama Ku, Nagoya, Aichi 4638687, Japan. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. RP Ueno, S (reprint author), AIST, Synergy Mat Res Ctr, Moriyama Ku, 2268-1 Shimo Shidami, Nagoya, Aichi 4638687, Japan. EM shunkichi.ueno@aist.go.jp; daniel-doni@aist.go.jp; naoki-kondo@aist.go.jp; t-ohji@aist.go.jp; shuzo-kanzaki@aist.go.jp; linh@ornl.gov; linh@ornl.gov NR 22 TC 4 Z9 5 U1 1 U2 4 PU TRANS TECH PUBLICATIONS LTD PI ZURICH-UETIKON PA BRANDRAIN 6, CH-8707 ZURICH-UETIKON, SWITZERLAND SN 1013-9826 BN 0-87849-965-2 J9 KEY ENG MAT PY 2005 VL 287 BP 449 EP 456 PG 8 WC Materials Science, Ceramics; Materials Science, Composites SC Materials Science GA BCB89 UT WOS:000228550000069 ER PT S AU Zemskova, SM Lin, HT Ferber, MK Haynes, AJ AF Zemskova, SM Lin, HT Ferber, MK Haynes, AJ BE Kim, HD Lin, HT Hoffmann, MJ TI Performance of CVD mullite coatings on silicon nitride under high temperature high load conditions SO ADVANCED SI-BASED CERAMICS AND COMPOSITES SE KEY ENGINEERING MATERIALS LA English DT Article; Proceedings Paper CT International Symposium on New Frontier of Advanced Si-Based Ceramics and Composites (ISASC 2004) CY JUN 20-23, 2004 CL Gyeongju, SOUTH KOREA SP Korea Inst Machinery & Mat, Korean Ceram Soc, Ctr Adv Mat Proc, Amer Ceram Soc, Australian Ceram Soc, Chinese Ceram Soc, Ceram Soc Japan, Spanish Soc Ceram & Glass, AFOSR, AOARD, Korea Sci & Engn Fdn, Natl Res Lab, ONRIFO DE CVD mullite; silicon nitride; high temperature strength ID CHEMICAL-VAPOR-DEPOSITION; ELEVATED-TEMPERATURES; FATIGUE RESISTANCE; CREEP PERFORMANCE; CYCLIC FATIGUE; WATER-VAPOR; OXIDATION; TENSILE; DEFORMATION; CERAMICS AB Previous studies have demonstrated that dense coatings of CVD mullite (3Al(2)O(3)x2SiO(2)) provide excellent oxidation protection for Si3N4 and SiC in a high pressure, steam environment. In this study the mechanical properties of CVD mullite coated silicon nitride materials from different vendors (AS800, NGKSN88, Kyocera SN281) were evaluated following ASTM test procedures. The dynamic fatigue tests were performed in ambient air at temperatures of 850 and 1200&DEG; C under fast (30 MPa/s) and slow (0.003 MPa/s) load rates. The static fatigue tests were carried out at a constant load of 350 MPa for 1000h at 1200&DEG; C. The cyclic fatigue tests at 850&DEG; C consisted of a loading ramp from 20 to 400 MPa in 30 seconds followed by unloading ramp from 400 to 20 MPa. A total of 10,000 cycles were applied to the fatigue test specimens before fast fracture tests were conducted at room temperature. The strength test results indicated that CVD mullite coatings showed excellent adhesion during dynamic fatigue tests and exhibited no creep behavior. Minor flexure strength reduction observed at low stressing rate and at high temperatures appeared to be related to Si3N4 properties such as SCG (slow crack growth) susceptibility. During cyclic and static fatigue tests, a glassy silica/aluminosilicate phase was formed due to oxidation. This resulted in localized coating separation and buckling. However, accumulation of this corrosion layer was not critical since the coated specimens showed a flexure strength increase of &SIM; 7-9.5%. C1 Caterpillar Inc, Adv Mat Technol, Peoria, IL 61656 USA. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. RP Zemskova, SM (reprint author), Caterpillar Inc, Adv Mat Technol, 41 TCE,POB 1875, Peoria, IL 61656 USA. EM Zemskova_Svetlana_M@cat.com; htlin@ornl.gov; mkferber@ornl.gov; ajhaynes@ornl.gov; htlin@ornl.gov NR 31 TC 1 Z9 1 U1 3 U2 4 PU TRANS TECH PUBLICATIONS LTD PI ZURICH-UETIKON PA BRANDRAIN 6, CH-8707 ZURICH-UETIKON, SWITZERLAND SN 1013-9826 BN 0-87849-965-2 J9 KEY ENG MAT PY 2005 VL 287 BP 457 EP 470 PG 14 WC Materials Science, Ceramics; Materials Science, Composites SC Materials Science GA BCB89 UT WOS:000228550000070 ER PT S AU Mahimairaja, S Bolan, NS Adriano, DC Robinson, B AF Mahimairaja, S Bolan, NS Adriano, DC Robinson, B BE Sparks, DL TI Arsenic contamination and its risk management in complex environmental settings SO ADVANCES IN AGRONOMY, VOLUME 86 SE Advances in Agronomy LA English DT Review; Book Chapter ID PLASMA-MASS SPECTROMETRY; ATOMIC-ABSORPTION-SPECTROMETRY; HYPERACCUMULATOR CHINESE BRAKE; SISTER-CHROMATID EXCHANGES; OXIDE-WATER INTERFACE; MUNG BEAN SEEDLINGS; ALGA FUCUS-GARDNERI; PTERIS-VITTATA L.; DRINKING-WATER; WEST-BENGAL AB Contamination of terrestrial and aquatic ecosystems by arsenic (As) is a very sensitive environmental issue due to its adverse impact on human health. Although not anthropogenic in origin, the problem of As contamination in groundwaters of West Bengal (India) and Bangladesh has been considered of calamitous proportion because significant segment of the population is at high risk, with untold numbers already suffering from irreversible effects of As poisoning. Elsewhere, indiscriminate disposal of industrial and mining wastes has led to extensive contamination of lands, thereby exacerbating the potential for food chain contamination. With greater public awareness of As poisoning in animal and human nutrition. there has been a growing interest in developing regulatory guidelines and remediation technologies for mitigating As-contaminated ecosystems. Although the immediate needs revolve around the stripping of As from domestic water supplies as exemplified by the affected areas in Bangladesh and West Bengal, a remediation scheme should also be explored to be able to cope with pivotal needs to abate the contamination of soils, sediments and water and the potential to compromise the quality of the food chain. A range or technologies, including bioremediation, has been applied with varying levels of success either to remove As from the contaminated medium or to reduce its biotoxicity. This review provides general overview of the various biogeochemical processes that regulate As bioavailability to organisms, including microbes, plants, animals and humans, In turn, the role of the source term, chemical form and chemical species of As are discussed as an overture to As bioavailability, Having laid the fundamental mechanisms and factors regulating As bioavailability, we then assembled the various physical. chemical, and biological mitigative methods that have been demonstrated, some being practical. highlighting their special strengths and potential for more effective and economical widespread applications. Because of the complexity involved in dealing with contaminated sites. exacerbated by site characteristics, nature or hydrogeology, source term, chemical form, land use, and so on, no one remedial technology might suffice. Therefore, we have attempted to offer an "integrated" approach of employing a combination of technologies at multiscalar levels, depending on extenuating circumstance, with the aim of securing viable methods, economically and technologically. Future research needs. especially in the area of As bioavailability and remediation strategies, are identified. (c) 2005, Elsevier Inc. C1 Massey Univ, Nat Resources Inst, Palmerston North, New Zealand. Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. HortRes, Palmerston North, New Zealand. RP Mahimairaja, S (reprint author), Tamil Nadu Agr Univ, Dept Environm Sci, Coimbatore 641003, Tamil Nadu, India. RI Robinson, Brett/F-1208-2010; Bolan, Nanthi/E-8535-2011 OI Robinson, Brett/0000-0003-0322-0255; Bolan, Nanthi/0000-0003-2056-1692 NR 357 TC 90 Z9 98 U1 8 U2 64 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0065-2113 BN 0-12-000784-3 J9 ADV AGRON JI Adv. Agron. PY 2005 VL 86 BP 1 EP 82 DI 10.1016/S0065-2113(05)86001-8 PG 82 WC Agronomy SC Agriculture GA BCJ65 UT WOS:000229673300001 ER PT S AU Hering, JG Dixit, S AF Hering, JG Dixit, S BE ODay, PA Vlassopoulos, D Meng, Z Benning, LG TI Contrasting sorption behavior of arsenic(III) and arsenic(V) in suspensions of iron and aluminum oxyhydroxides SO ADVANCES IN ARSENIC RESEARCH: INTEGRATION OF EXPERIMENTAL AND OBSERVATIONAL STUDIES AND IMPLICATIONS FOR MITIGATION SE ACS Symposium Series LA English DT Review CT Symposium on Advances in Arsenic Research held at the 226th ACS National Meeting CY SEP 07-11, 2003 CL New York, NY SP Amer Chem Soc ID ARSENATE ADSORPTION; DRINKING-WATER; OXIDE MINERALS; COMPETITIVE ADSORPTION; FERRIHYDRITE; GOETHITE; REMOVAL; INTERFACE; MECHANISMS; STABILITY AB United Kingdom It has been widely observed that the sorption of arsenic (As) as As(III) and As(V) on iron (Fe) oxyhydroxides is comparable as is the sorption of As(V) on Fe and aluminum (Al) oxyhydroxides. However, quite different sorption behavior has been observed for As(III) on Fe and Al oxyhydroxides. Here, surface complexation modeling is used to show that recent reports of As(III) sorption onto Al oxyhydroxides are consistent with previous observations of negligible sorption under conditions relevant to water treatment. This modeling exercise also demonstrates that the level of protonation of surface species is not well constrained by commonly-reported pH edges and that the possibility of distinguishing between mononuclear and binuclear surface complexes depends on the level of surface coverage. These issues complicate the integration of macroscopic sorption studies with spectroscopic studies and molecular modeling. C1 CALTECH, Pasadena, CA 91125 USA. RP Hering, JG (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. NR 41 TC 16 Z9 17 U1 2 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA SN 0097-6156 BN 0-8412-3913-4 J9 ACS SYM SER JI ACS Symp. Ser. PY 2005 VL 915 BP 8 EP 24 DI 10.1021/bk-2005-0915.ch002 PG 17 WC Chemistry, Multidisciplinary; Geochemistry & Geophysics; Engineering, Environmental SC Chemistry; Geochemistry & Geophysics; Engineering GA BDZ01 UT WOS:000236279300002 ER PT S AU Saunders, JA Mohammad, S Korte, NE Lee, MK Fayek, M Castle, D Barnett, MO AF Saunders, JA Mohammad, S Korte, NE Lee, MK Fayek, M Castle, D Barnett, MO BE ODay, PA Vlassopoulos, D Meng, Z Benning, LG TI Groundwater geochemistry, microbiology, and mineralogy in two arsenic-bearing Holocene alluvial aquifers from the United States SO ADVANCES IN ARSENIC RESEARCH: INTEGRATION OF EXPERIMENTAL AND OBSERVATIONAL STUDIES AND IMPLICATIONS FOR MITIGATION SE ACS SYMPOSIUM SERIES LA English DT Article; Proceedings Paper CT Symposium on Advances in Arsenic Research held at the 226th ACS National Meeting CY SEP 07-11, 2003 CL New York, NY SP Amer Chem Soc ID WEST-BENGAL; BANGLADESH GROUNDWATER; SEDIMENTS; INDIA; WATER; MOBILIZATION; REDUCTION; POLLUTION; DELTA AB Groundwaters in two Holocene alluvial aquifers containing elevated dissolved arsenic in the USA have similar geochemical characteristics and microbiology. These include: 1) near-neutral pH and moderately reducing redox state where reactive organic matter is present; 2) significant dissolved iron and manganese; 3) presence of both iron- and sulfate-reducing bacteria of the genera Geobacter and Desulfovibrio, respectively; and 4) evidence that precipitation of authigenic minerals (e.g., carbonates and sulfides) limits concentrations of dissolved metal(loid)s. This study indicates that heterotrophic anaerobic bacteria directly mediate both the dissolution of detrital iron and manganese minerals in the aquifers, which leads to release of As and other trace elements, and also indirectly leads to supersaturation with respect to authigenic minerals such as siderite (FeCO3) and rhodochrosite (MnCO3). Locally, conditions suitable for metabolism of sulfate-reducing bacteria may prevail, leading to precipitation of As-bearing biogenic pyrite enriched in S-32. C1 Auburn Univ, Dept Geol & Geog, Auburn, AL 36849 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Univ Tennessee, Ctr Environm Biotechnol, Knoxville, TN 37996 USA. Auburn Univ, Dept Civil Engn, Auburn, AL 36849 USA. RP Saunders, JA (reprint author), Auburn Univ, Dept Geol & Geog, Auburn, AL 36849 USA. NR 41 TC 14 Z9 14 U1 1 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA SN 0097-6156 BN 0-8412-3913-4 J9 ACS SYM SER PY 2005 VL 915 BP 191 EP 205 DI 10.1021/bk-2005-0915.ch014 PG 15 WC Chemistry, Multidisciplinary; Geochemistry & Geophysics; Engineering, Environmental SC Chemistry; Geochemistry & Geophysics; Engineering GA BDZ01 UT WOS:000236279300014 ER PT S AU Gould, H Miller, TM AF Gould, H Miller, TM BE Stroke, HH TI Recent developments in the measurement of static electric dipole polarizabilities SO ADVANCES IN ATOMIC MOLECULAR, AND OPTICAL PHYSICS, VOL 51 SE Advances In Atomic Molecular and Optical Physics LA English DT Review; Book Chapter ID ALKALI-METAL ATOMS; LIGHT-FORCE TECHNIQUE; RYDBERG STATES; FINE-STRUCTURE; HALIDE DIMERS; CLUSTERS; BEAM; SODIUM; SPECTROSCOPY; DEFLECTION AB Recent advances in the measurement of static electric dipole polarizabilities are discussed. A brief history of atomic beam methods is given, with an emphasis on the work from Benjamin Bederson's laboratory at New York University. The latest measurements are described, including electric deflection experiments with cluster beams, the light-force method, atom-beam interferometry, electric-field induced velocity change of laser-cooled atoms, beam-foil spectroscopy, and microwave spectroscopy of Rydberg atoms and ions. Atomic-beam interferometry, laser-cooled atoms, and microwave spectroscopy of Rydberg atoms have yielded polarizabilities with unprecedented accuracy. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. USAF, Res Lab, Space Vehicles Directorate, Hanscom AFB, MA 01731 USA. RP Univ Calif Berkeley, Lawrence Berkeley Lab, MS 71-259, Berkeley, CA 94720 USA. EM HAGould@lbl.gov; Thomas.Miller@hanscom.af.mil NR 85 TC 13 Z9 13 U1 0 U2 10 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 1049-250X BN 0-12-003851-X J9 ADV ATOM MOL OPT PHY JI Adv. Atom. Mol. Opt. Phys. PY 2005 VL 51 BP 343 EP 361 DI 10.1016/S1049-250X(05)51019-X PG 19 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA BDT09 UT WOS:000235191900009 ER PT S AU Dunning, F Lancaster, JC Reinhold, CO Yoshida, S Burgdorfer, J AF Dunning, F Lancaster, JC Reinhold, CO Yoshida, S Burgdorfer, J BE Berman, PR Lin, CC TI The kicked Rydberg atom SO ADVANCES IN ATOMIC MOLECULAR AND OPTICAL PHYSICS, VOL 52 SE Advances In Atomic Molecular and Optical Physics LA English DT Review; Book Chapter ID HALF-CYCLE PULSES; RESONANT COHERENT EXCITATION; ELECTRON-ION RECOMBINATION; EXCITED HYDROGEN-ATOMS; WAVE-PACKETS; MICROWAVE IONIZATION; FIELD-IONIZATION; QUANTUM CHAOS; DYNAMICAL LOCALIZATION; ELECTROMAGNETIC PULSES AB Recent developments in experimental technique allow study of the ionization and excitation of Rydberg atoms by pulsed unidirectional electric fields, termed half-cycle pulses (HCPs), with duration T-p << T-n, where T-n is the classical electron orbital period. In this limit, each HCP simply delivers an impulsive momentum transfer or "kick" to the Rydberg electron. The opportunities provided by this are discussed with the aid of both theory and experiment. Single HCPs can be used to probe the momentum (and spatial) distribution of the excited electron. Atoms subject to a train of periodic HCPs provide an experimental realization of the kicked atom, a valuable test bed for the study of nonlinear dynamics in Hamiltonian systems. Studies of kicked atoms have furnished new insights into classical-quantum correspondence as well as a variety of phenomena such as dynamical stabilization and quantum localization which illuminate how the classical world emerges from the quantum world. Dynamical stabilization leads to strong transient periodic localization of the excited electron in phase-space and creation of periodic nondispersive wavepackets. The ability to manipulate the electron in phase-space can be extended by modulating the amplitude and frequency of the HCPs. Strong transient phase-space localization can also be generated using quasi-one-dimensional Rydberg atoms and a single HCP. Such localization provides new opportunities for control of the atomic wavefunction, i.e., for atomic engineering, by application of a carefully tailored sequence of HCPs to produce, for example, wavepackets whose behavior mimics that of a localized classical particle. Studies of the kicked Rydberg atom find application in a number of fields including fast ion-atom collisions, ion channeling in solids and exploring the behavior of atoms in ultra-fast, ultra-intense pulsed laser fields. C1 Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA. Rice Univ, Rice Quantum Inst, Houston, TX 77005 USA. Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Phys, Knoxville, TN 37996 USA. Vienna Univ Technol, Inst Theoret Phys, A-1040 Vienna, Austria. RP Dunning, F (reprint author), Rice Univ, Dept Phys & Astron, MS 61,6100 Main St, Houston, TX 77005 USA. OI Reinhold, Carlos/0000-0003-0100-4962 NR 113 TC 23 Z9 23 U1 1 U2 4 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 1049-250X BN 0-12-003852-8 J9 ADV ATOM MOL OPT PHY JI Adv. Atom. Mol. Opt. Phys. PY 2005 VL 52 BP 49 EP 103 DI 10.1016/S1049-250X(05)52002-0 PG 55 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA BDU98 UT WOS:000235519400002 ER PT B AU Stachowiak, JC Shugard, EE Caton, PF Mosier, BP Renzi, RF Davalos, RV McGraw, GJ Simmons, BA Vandernoot, VA Haroldsen, BA AF Stachowiak, Jeanne C. Shugard, Erin E. Caton, Pamela F. Mosier, Bruce P. Renzi, Ron F. Davalos, Rafael V. McGraw, Gregory J. Simmons, Blake A. Vandernoot, Victoria A. Haroldsen, Brent A. GP ASME TI Automated sample preparation system for rapid biological threat detection SO Advances in Bioengineering SE Bioengineering Division of the American Society of Mechanical Engineers LA English DT Proceedings Paper CT ASME International Mechanical Engineering Congress and Exposition CY NOV 05-11, 2005 CL Orlando, FL SP ASME, Proc Ind Div, ASME, Rail Transportat Div, ASME, Noise Control & Acoust Div, ASME, Triol Div, ASME, Pressure Vessels & Piping Div, ASME, Bioengn Div, ASME, Mat Div, ASME, Appl Mech Div, ASME, Fluids Engn Div, ASME, Micro Elect Mech Syst Div, ASME, Heat Transfer Div, ASME, Nucl Engn Div, ASME, Power Div, ASME, Solar Energy Div, ASME, Safety Engn & Risk Anal Div, ASME, Technol & Soc Div, ASME, Adv Energy Syst Div, ASME, Aerosp Div, ASME, Comp & Informat Engn Div ID SEPARATIONS C1 Sandia Natl Labs, Livermore, CA USA. RP Haroldsen, BA (reprint author), Sandia Natl Labs, Livermore, CA USA. NR 6 TC 0 Z9 0 U1 0 U2 1 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 0-7918-4213-4 J9 BIOENG DIV ASME PY 2005 VL 57 BP 29 EP 30 PG 2 WC Acoustics; Engineering, Biomedical; Engineering, Mechanical SC Acoustics; Engineering GA BFM24 UT WOS:000243035000007 ER PT S AU Nunn, SD Lowden, RA Montgomery, FC AF Nunn, S. D. Lowden, R. A. Montgomery, F. C. BE Zhu, D Plucknett, K TI PRODUCING SURFACE COATINGS ON SILICON NITRIDE BY PACK CEMENTATION SO ADVANCES IN CERAMIC COATINGS AND CERAMIC-METAL SYSTEMS SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 29th International Conference on Advanced Ceramics and Composites CY JAN 23-28, 2005 CL Cocoa Beach, FL SP Amer Ceram Soc ID WATER-VAPOR; OXIDATION; RECESSION AB Pack cementation processing was used to chemically alter the surface of dense silicon nitride materials and form a coating layer. Test samples were examined by XRD, SEM, and optical microscopy to characterize the chemical and microstructural changes in the materials after processing. The coating that was formed depended on the composition of the reactive powder pack used in the process and on the processing conditions of temperature and furnace atmosphere. Some of the coating compounds identified by XRD, such as Yb(2)Si(2)O(7), SrAl(2)Si(2)O(8), and Yb(3)Al(5)O(12), are promising candidate materials for protective environmental barrier coatings. Preliminary exposure testing results in water vapor at high temperature indicate that a Yb(2)Si(2)O(7) coating on NT154 Si(3)N(4) reduces the rate of attack compared to the uncoated material. C1 [Nunn, S. D.; Lowden, R. A.; Montgomery, F. C.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Nunn, SD (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. NR 13 TC 1 Z9 1 U1 0 U2 0 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-57498-233-6 J9 CERAM ENG SCI PROC PY 2005 VL 26 IS 3 BP 167 EP 172 PG 6 WC Materials Science, Ceramics SC Materials Science GA BMU97 UT WOS:000273628100020 ER PT S AU Singh, S Singh, D Singh, JP Singh, RN Routbort, JL AF Singh, S. Singh, D. Singh, J. P. Singh, R. N. Routbort, J. L. BE Zhu, D Plucknett, K TI SOLID-PARTICLE EROSION OF THIN FILMS DEPOSITED ON CERAMICS SO ADVANCES IN CERAMIC COATINGS AND CERAMIC-METAL SYSTEMS SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 29th International Conference on Advanced Ceramics and Composites CY JAN 23-28, 2005 CL Cocoa Beach, FL SP Amer Ceram Soc ID DAMAGE; GLASS AB Solid-particle erosion of an environmental barrier coating on silicon nitride substrates and a diamond thin film on silicon have been studied for impact angles of 20 and 90 degrees, using 100 and 240 grit alumina and silicon carbide abrasives at 50 and 100 m/s. Weight-loss measurements are combined with scanning electron microscopy to determine that the predominant loss is determined by a brittle fracture mechanism. C1 [Singh, S.; Singh, D.; Singh, J. P.; Routbort, J. L.] Argonne Natl Lab, Div Energy Technol, Argonne, IL 60439 USA. RP Singh, S (reprint author), Argonne Natl Lab, Div Energy Technol, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 14 TC 2 Z9 2 U1 0 U2 0 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-57498-233-6 J9 CERAM ENG SCI PROC PY 2005 VL 26 IS 3 BP 191 EP 198 PG 8 WC Materials Science, Ceramics SC Materials Science GA BMU97 UT WOS:000273628100023 ER PT S AU Brochu, M Gauntt, BD Zschiesche, D Shah, R Loehman, RE AF Brochu, M. Gauntt, B. D. Zschiesche, D. Shah, R. Loehman, R. E. BE Zhu, D Plucknett, K TI DEVELOPMENT OF GLASS/NANO-CERAMIC COMPOSITES FOR SEALING SOLID OXIDE FUEL CELLS SO ADVANCES IN CERAMIC COATINGS AND CERAMIC-METAL SYSTEMS SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 29th International Conference on Advanced Ceramics and Composites CY JAN 23-28, 2005 CL Cocoa Beach, FL SP Amer Ceram Soc AB Availability of durable seats for Solid Oxide Fuel Cells (SOFC) is one of the main limitations to the fabrication of reliable fuel cell stacks. The sealing issue is challenging, as the SOFC operation conditions are severe. In particular, for approaches that incorporate a glass sealant, the following seal characteristics must be accurately adjusted: flow and viscosity, glass transition temperature and crystallization, coefficient of thermal expansion mismatch, and interfacial reactions during sealing and service conditions. The focus of this work was to demonstrate the control achieved on borate-glass properties by the addition of various nano-scale additives. Results on the modification of viscosity, wetting, adhesion, thermal expansion and interfacial reactions are presented. C1 [Brochu, M.; Gauntt, B. D.; Zschiesche, D.; Shah, R.; Loehman, R. E.] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. RP Brochu, M (reprint author), Sandia Natl Labs, Adv Mat Lab, 1001 Univ SE, Albuquerque, NM 87106 USA. NR 8 TC 0 Z9 0 U1 0 U2 1 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-57498-233-6 J9 CERAM ENG SCI PROC PY 2005 VL 26 IS 3 BP 321 EP 330 PG 10 WC Materials Science, Ceramics SC Materials Science GA BMU97 UT WOS:000273628100036 ER PT S AU Kim, JY Hardy, JS Weil, KS AF Kim, Jin Yong Hardy, John S. Weil, K. Scott BE Zhu, D Plucknett, K TI ALUMINUM AIR BRAZING FOR JOINING CERAMICS SO ADVANCES IN CERAMIC COATINGS AND CERAMIC-METAL SYSTEMS SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 29th International Conference on Advanced Ceramics and Composites CY JAN 23-28, 2005 CL Cocoa Beach, FL SP Amer Ceram Soc ID SILVER AB Aluminum foils were used to braze ceramic plates directly in air. Since aluminum forms an inert oxide layer, aluminum air brazing can provide significant benefits in ceramic joining such as chemical tolerance in dual atmospheres. In using aluminum to air braze, the key factor is optimizing the brazing conditions in order to obtain a good interface between braze and substrates by controling the kinetics of melting and oxidation of aluminum and sintering of the oxide scale. In this study, joint strength was found to be largely dependent on brazing conditions such as temperature and hold time. Effects of these conditions on the mechanical properties and the microstructure of the Al-brazed ceramic joints will be discussed in this paper. C1 [Kim, Jin Yong; Hardy, John S.; Weil, K. Scott] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Kim, JY (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA. RI Hardy, John/E-1938-2016 OI Hardy, John/0000-0002-1699-3196 NR 12 TC 0 Z9 0 U1 0 U2 1 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-57498-233-6 J9 CERAM ENG SCI PROC PY 2005 VL 26 IS 3 BP 375 EP 382 PG 8 WC Materials Science, Ceramics SC Materials Science GA BMU97 UT WOS:000273628100042 ER PT S AU Weil, KS Hardy, JS AF Weil, KS Hardy, JS BE Singh, JP Bansal, NP Kriven, WM TI A model cerium oxide matrix composite reinforced with a homogeneous dispersion of silver particulate - Prepared using the glycine-nitrate process SO ADVANCES IN CERAMIC MATRIX COMPOSITES X SE CERAMIC TRANSACTIONS LA English DT Proceedings Paper CT 106th Annual Meeting of the American-Ceramic-Society CY APR 18-21, 2004 CL Indianapolis, IN SP Amer Ceram Soc AB Recently a new method of ceramic brazing has been developed. Based on a two-phase liquid composed of silver and copper oxide, brazing is conducted directly in air without the need of an inert cover gas or the use of surface reactive fluxes. Because the braze displays excellent wetting characteristics on a number ceramic surfaces, including alumina, various perovskites, zirconia, and ceria, we were interested in investigating whether a metal-reinforced ceramic matrix composite (CMC) could be developed with this material. In the present study, two sets of homogeneously mixed silver/copper oxide/cetia powders were synthesized using a combustion synthesis technique. The powders were compacted and heat treated in air above the liquidus temperature for the chosen Ag-CuO composition. Metallographic analysis indicates that the resulting composite microstructures are extremely uniform with respect to both the size of the metallic reinforcement as well as its spatial distribution within the ceramic matrix. The size, morphology, and spacing of the metal particulate in the densified composite appears to be dependent on the original size and the structure of the starting combustion synthesized powders. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Weil, KS (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. RI Hardy, John/E-1938-2016 OI Hardy, John/0000-0002-1699-3196 NR 9 TC 0 Z9 0 U1 0 U2 0 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 1042-1122 BN 1-57498-186-2 J9 CERAM TRANS PY 2005 VL 165 BP 23 EP 30 PG 8 WC Materials Science, Ceramics; Materials Science, Characterization & Testing; Materials Science, Composites SC Materials Science GA BBP73 UT WOS:000226906000003 ER PT S AU Wagh, AS AF Wagh, AS BE Singh, JP Bansal, NP Kriven, WM TI Chemically bonded phosphate ceramics - A novel class of geopolymers SO ADVANCES IN CERAMIC MATRIX COMPOSITES X SE CERAMIC TRANSACTIONS LA English DT Proceedings Paper CT 106th Annual Meeting of the American-Ceramic-Society CY APR 18-21, 2004 CL Indianapolis, IN SP Amer Ceram Soc ID CEMENTS AB Geopolymers are cements or ceramics that mimic natural minerals. They are formed by polymerization of inorganic molecules containing aluminum, silicon, oxygen, and other elements. Under this broad definition, chemically bonded phosphate ceramics may also be considered as a new class of geopolymers. Phosphate ceramics are synthesized at room temperature, and they set rapidly like conventional polymers. They contain naturally occurring mineral phases, notably apatite. They are formed by an acid-base reaction between a metal oxide and an acid phosphate. Virtually any divalent or trivalent oxide that is sparingly soluble may be used to form these ceramics. They are hard and dense, and exhibit superior mechanical properties compared to conventional cement. They have found a wide range of applications such as dental cements, construction materials, oil well cements, and hazardous and radioactive waste stabilization. This paper summarizes the kinetics of formation of these phosphate geopolymers, their phase composition and unique properties, microstructure, and potential niche applications. Emphasis will be on apatite-forming geopolymers and their key role in various applications. C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Wagh, AS (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. OI Wagh, Arun/0000-0002-8678-7574 NR 15 TC 5 Z9 5 U1 1 U2 10 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 1042-1122 BN 1-57498-186-2 J9 CERAM TRANS PY 2005 VL 165 BP 107 EP 116 PG 10 WC Materials Science, Ceramics; Materials Science, Characterization & Testing; Materials Science, Composites SC Materials Science GA BBP73 UT WOS:000226906000010 ER PT S AU King, JW AF King, JW BE Brown, PR Grushka, E Lunte, S TI Supercritical fluids for off-line sample preparation in food analysis prior to chromatography SO ADVANCES IN CHROMATOGRAPHY, VOL 43 SE Advances in Chromatography LA English DT Review; Book Chapter ID CARBON-DIOXIDE EXTRACTION; FORTIFIED CHICKEN LIVER; GAS-CHROMATOGRAPHY; PESTICIDE-RESIDUES; MASS-SPECTROMETRY; DERIVATIZATION REACTIONS; CHEMICAL DERIVATIZATION; SELECTIVE EXTRACTION; CLEANUP TECHNIQUE; CO2 EXTRACTION C1 Los Alamos Natl Lab, Los Alamos, NM USA. RP King, JW (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM USA. NR 154 TC 2 Z9 2 U1 3 U2 7 PU MARCEL DEKKER PI NEW YORK PA 270 MADISON AVE, NEW YORK, NY 10016 USA SN 0065-2415 BN 0-8247-5341-0 J9 ADV CHROMATOGR JI Adv. Chromatogr. PY 2005 VL 43 BP 109 EP 177 PG 69 WC Chemistry, Analytical SC Chemistry GA BBK93 UT WOS:000225966800002 PM 15536749 ER PT S AU Balasubramanian, K AF Balasubramanian, K. BE Simos, T Maroulis, G TI Preface to the minisymposium on mathematical and computational approaches to structure, dynamics and biology. SO Advances in Computational Methods in Sciences and Engineering 2005, Vols 4 A & 4 B SE LECTURE SERIES ON COMPUTER AND COMPUTATIONAL SCIENCES LA English DT Proceedings Paper CT International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005) CY OCT 21-26, 2005 CL Corinth, GREECE SP Amer Chem Soc, Amer Phys Soc C1 Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. RP Balasubramanian, K (reprint author), Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, POB 808,L-268, Livermore, CA 94550 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU VSP BV-C/O BRILL ACAD PUBL PI LEIDEN PA PO BOX 9000, 2300 PA LEIDEN, NETHERLANDS SN 1573-4196 BN 90-6764-443-9 J9 LECT SER COMPUTER CO PY 2005 VL 4A-4B BP 755 EP 756 PG 2 WC Engineering, Multidisciplinary; Mathematics, Applied; Physics, Multidisciplinary; Physics, Mathematical SC Engineering; Mathematics; Physics GA BEL90 UT WOS:000238054400185 ER PT S AU Balasubramanian, K AF Balasubramanian, K. BE Simos, T Maroulis, G TI Relativistic effects in the chemistry of very heavy and super heavy molecules SO Advances in Computational Methods in Sciences and Engineering 2005, Vols 4 A & 4 B SE LECTURE SERIES ON COMPUTER AND COMPUTATIONAL SCIENCES LA English DT Proceedings Paper CT International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005) CY OCT 21-26, 2005 CL Corinth, GREECE SP Amer Chem Soc, Amer Phys Soc DE relativistic effects; very heavy clusters; super heavy clusters ID LAWRENCIUM AB Relativistic effects are very significant for molecules and clusters containing very heavy and super heavy elements. We demonstrate this further with our recent results of relativistic computations that included complete active space multi-configuration interaction (CAS-MCSCF) followed by multi-reference configuration interaction (MRSDCI) computations with up to 50 million configurations of transition metal and main group clusters. We shall also be presenting our recent works on substituted fullerenes and actinide complexes of environmental concern. My talk will emphasize these unusual features and trends concerning structure and spectroscopic properties of these very heavy species. We compare the properties of not only the ground electronic states, but also several excited electronic states. We have also carried out extensive computations on very heavy clusters such as gold clusters; ruthenium clusters and assignment of the observed spectra have been suggested. It is shown that the gold clusters exhibit anomalous trends compared to copper or silver clusters. For example, Jahn-Teller distortion is quenched in the case of Au-3 by spin-orbit coupling, and for the first time the spin-orbit component of the Au-3 ground state has been observed experimentally. We have also carried out relativistic computations for the electronic states of the newly discovered super heavy elements and yet to be discovered elements such as 113 (eka-thallium) 114 (eka-lead) and 114(+). Many unusual periodic trends in the energy separations of the electronic states of the elements 114, 113, 114(+), (113)H, 114H, and Lawrencium and Nobelium compounds. We will be presenting our results on uranyl, plutonyl and meputunyl complexes in aqeous solution using a combined quantum chemical and PCM models for solvation. We have employed coupled cluster levels of theory to obtain the frequencies and equilibrium geometries of these complexes. C1 Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. RP Balasubramanian, K (reprint author), Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, POB 808,L-268, Livermore, CA 94550 USA. NR 10 TC 0 Z9 0 U1 0 U2 5 PU VSP BV-C/O BRILL ACAD PUBL PI LEIDEN PA PO BOX 9000, 2300 PA LEIDEN, NETHERLANDS SN 1573-4196 BN 90-6764-443-9 J9 LECT SER COMPUTER CO PY 2005 VL 4A-4B BP 759 EP 764 PG 6 WC Engineering, Multidisciplinary; Mathematics, Applied; Physics, Multidisciplinary; Physics, Mathematical SC Engineering; Mathematics; Physics GA BEL90 UT WOS:000238054400187 ER PT S AU Balasubramanian, K AF Balasubramanian, K. BE Simos, T Maroulis, G TI Computational and mathematical approaches to clusters, fullerenes and proteomes SO Advances in Computational Methods in Sciences and Engineering 2005, Vols 4 A & 4 B SE LECTURE SERIES ON COMPUTER AND COMPUTATIONAL SCIENCES LA English DT Proceedings Paper CT International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005) CY OCT 21-26, 2005 CL Corinth, GREECE SP Amer Chem Soc, Amer Phys Soc DE combinatorics of fullerenes; spectroscopy fullercries; proteomics; graph theory AB We propose to consider several exciting applications of computational and mathematical approaches to cluster with special emphasis on combinatorics, graph theory based algorithms to a number of scientific disciplines, particularly in fullerene chemistry and computational biology. We shall demonstrate that enumerative combinatorics and algorithms find numerous applications to enumeration of structure sand three dimensional fullerene cages and their nuclear spin statistics and spectroscopy. We propose to consider cross fertilization of graph theory with chemistry and biology which seems to provide a fertile ground for interdisciplinary research in bioinformatics, predictive toxicology, molecular and drug design. Examples of applications from each of these fields will be provided and would include DNA algorithm and graph theoretical characterization of proteomics and genomics C1 Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. RP Balasubramanian, K (reprint author), Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, POB 808,L-268, Livermore, CA 94550 USA. NR 6 TC 0 Z9 0 U1 0 U2 1 PU VSP BV-C/O BRILL ACAD PUBL PI LEIDEN PA PO BOX 9000, 2300 PA LEIDEN, NETHERLANDS SN 1573-4196 BN 90-6764-443-9 J9 LECT SER COMPUTER CO PY 2005 VL 4A-4B BP 765 EP 767 PG 3 WC Engineering, Multidisciplinary; Mathematics, Applied; Physics, Multidisciplinary; Physics, Mathematical SC Engineering; Mathematics; Physics GA BEL90 UT WOS:000238054400188 ER PT S AU Fried, LE Manaa, MR Reed, EJ AF Fried, Laurence E. Manaa, M. Riad Reed, Evan J. BE Simos, T Maroulis, G TI Simulations of highly reactive fluids SO Advances in Computational Methods in Sciences and Engineering 2005, Vols 4 A & 4 B SE LECTURE SERIES ON COMPUTER AND COMPUTATIONAL SCIENCES LA English DT Proceedings Paper CT International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005) CY OCT 21-26, 2005 CL Corinth, GREECE SP Amer Chem Soc, Amer Phys Soc DE density functional theory; molecular dynamics; energetic materials; nitromethane; reaction mechanisms ID NITROMETHANE ACI ION; SOLID NITROMETHANE; NEAT NITROMETHANE; HIGH-PRESSURE; SPECTROSCOPY; TEMPERATURE AB We report density functional molecular dynamics simulations to determine the early chemical events of hot (T = 3000 K) and dense (1.97 g/cm(3), V/V-0 = 0.68) nitromethane (CH3NO2). The first step in the decomposition process is an intermolecular proton abstraction mechanism that leads to the formation of CH3NO2H and the aci ion H2CNO2- in support of evidence from static high-pressure and shock experiments. An intramolecular hydrogen transfer that transforms nitromethane into the aci acid form, CH2NO2H, accompanies this event. This is the first confirmation of chemical reactivity with bond selectivity for an energetic material near the condition of fully reacted specimen. We also report the decomposition mechanism followed up to the formation of H2O as the first stable product. C1 Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. RP Fried, LE (reprint author), Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, L-282,7000 East Ave, Livermore, CA 94550 USA. RI Fried, Laurence/L-8714-2014 OI Fried, Laurence/0000-0002-9437-7700 NR 20 TC 0 Z9 0 U1 0 U2 0 PU VSP BV-C/O BRILL ACAD PUBL PI LEIDEN PA PO BOX 9000, 2300 PA LEIDEN, NETHERLANDS SN 1573-4196 BN 90-6764-443-9 J9 LECT SER COMPUTER CO PY 2005 VL 4A-4B BP 781 EP 784 PG 4 WC Engineering, Multidisciplinary; Mathematics, Applied; Physics, Multidisciplinary; Physics, Mathematical SC Engineering; Mathematics; Physics GA BEL90 UT WOS:000238054400192 ER PT S AU Gee, RH Lacevic, NM Fried, LE AF Gee, Richard H. Lacevic, Naida M. Fried, Larry E. BE Simos, T Maroulis, G TI Molecular dynamics Simulations of spinodal-assisted polymer crystallization SO Advances in Computational Methods in Sciences and Engineering 2005, Vols 4 A & 4 B SE LECTURE SERIES ON COMPUTER AND COMPUTATIONAL SCIENCES LA English DT Proceedings Paper CT International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005) CY OCT 21-26, 2005 CL Corinth, GREECE SP Amer Chem Soc, Amer Phys Soc DE poly(vinylidene fluoride); polymer crystallization; early stages; molecular dynamics ID INDUCTION PERIOD; MELTS AB Large scale molecular dynamics simulations of bulk melts of polar (poly(vinylidene fluoride) (pVDF)) polymers are utilized to study chain conformation and ordering prior to crystallization under cooling. While the late stages of polymer crystallization have been studied in great detail, recent theoretical and experimental evidence indicates that there are important phenomena occurring in the early stages of polymer crystallization that are not understood to the same degree. When the polymer melt is quenched from a temperature above the melting temperature to the crystallization temperature, crystallization does not occur instantaneously. This initial interval without crystalline order is characterized as an induction period. It has been thought of as a nucleation period in the classical theories of polymer crystallization, but recent experiments,(1) computer simulations,(2) and theoretical work(3) suggest that the initial period in polymer crystallization is assisted by a spinodal decomposition type mechanism. In this study we have achieved physically realistic length scales to study early stages of polymer ordering, and show that spinodal-assisted ordering prior to crystallization is operative in polar polymers suggesting general applicability of this process. C1 Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. RP Gee, RH (reprint author), Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, POB 808,L-268, Livermore, CA 94550 USA. RI Fried, Laurence/L-8714-2014 OI Fried, Laurence/0000-0002-9437-7700 NR 14 TC 0 Z9 0 U1 1 U2 3 PU VSP BV-C/O BRILL ACAD PUBL PI LEIDEN PA PO BOX 9000, 2300 PA LEIDEN, NETHERLANDS SN 1573-4196 BN 90-6764-443-9 J9 LECT SER COMPUTER CO PY 2005 VL 4A-4B BP 785 EP 789 PG 5 WC Engineering, Multidisciplinary; Mathematics, Applied; Physics, Multidisciplinary; Physics, Mathematical SC Engineering; Mathematics; Physics GA BEL90 UT WOS:000238054400193 ER PT S AU Manaa, MR AF Manaa, M. Riad BE Simos, T Maroulis, G TI Preface to symposium: Matter at extreme conditions: Theory and application SO Advances in Computational Methods in Sciences and Engineering 2005, Vols 4 A & 4 B SE LECTURE SERIES ON COMPUTER AND COMPUTATIONAL SCIENCES LA English DT Proceedings Paper CT International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005) CY OCT 21-26, 2005 CL Corinth, GREECE SP Amer Chem Soc, Amer Phys Soc C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Manaa, MR (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU VSP BV-C/O BRILL ACAD PUBL PI LEIDEN PA PO BOX 9000, 2300 PA LEIDEN, NETHERLANDS SN 1573-4196 BN 90-6764-443-9 J9 LECT SER COMPUTER CO PY 2005 VL 4A-4B BP 1108 EP 1108 PG 1 WC Engineering, Multidisciplinary; Mathematics, Applied; Physics, Multidisciplinary; Physics, Mathematical SC Engineering; Mathematics; Physics GA BEL90 UT WOS:000238054400269 ER PT S AU Reed, EJ Soljacic, M Joannopoulos, JD AF Reed, Evan J. Soljacic, Marin Joannopoulos, J. D. BE Simos, T Maroulis, G TI Reversed and anomalous Doppler effects in shocked periodic media SO Advances in Computational Methods in Sciences and Engineering 2005, Vols 4 A & 4 B SE LECTURE SERIES ON COMPUTER AND COMPUTATIONAL SCIENCES LA English DT Proceedings Paper CT International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005) CY OCT 21-26, 2005 CL Corinth, GREECE SP Amer Chem Soc, Amer Phys Soc DE shock wave; photonic crystal; Doppler shift AB We predict that reversed and anomalous non-relativistic Doppler shifts can be observed under some circumstances when light reflects from a shock wave front propagating through a photonic crystal, or material with a periodic modulation of the dielectric. Light reflection from shock wave fronts is a commonly employed experimental diagnostic. This theoretical prediction is generalizable and applies to wave-like excitations in a variety of periodic media. An experimental observation of this effect has recently been made [1] involving the propagation of an electromagnetic shock through a periodic electrical transmission line. This experiment exhibits quantitative agreement with our theory. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Reed, EJ (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. NR 10 TC 0 Z9 0 U1 1 U2 2 PU VSP BV-C/O BRILL ACAD PUBL PI LEIDEN PA PO BOX 9000, 2300 PA LEIDEN, NETHERLANDS SN 1573-4196 BN 90-6764-443-9 J9 LECT SER COMPUTER CO PY 2005 VL 4A-4B BP 1114 EP 1117 PG 4 WC Engineering, Multidisciplinary; Mathematics, Applied; Physics, Multidisciplinary; Physics, Mathematical SC Engineering; Mathematics; Physics GA BEL90 UT WOS:000238054400271 ER PT S AU Hu, S Vrinceanu, D Collins, L Schneider, B AF Hu, S. Vrinceanu, D. Collins, L. Schneider, B. BE Simos, T Maroulis, G TI Computational techniques for probing matter at extreme conditions SO Advances in Computational Methods in Sciences and Engineering 2005, Vols 4 A & 4 B SE LECTURE SERIES ON COMPUTER AND COMPUTATIONAL SCIENCES LA English DT Proceedings Paper CT International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005) CY OCT 21-26, 2005 CL Corinth, GREECE SP Amer Chem Soc, Amer Phys Soc DE finite element; discrete variable representation; molecular dynamics; intense fields; ultracold plasmas; Bose-Einstein condensate ID DEPENDENT SCHRODINGER-EQUATION AB We discuss several computational schemes for solving time-dependent systems of both local and nonlocal equations and give examples from a diverse set of applications of matter under extreme conditions, including ultrashort laser pulse interactions with matter, ultracold antihydrogen plasmas in magnetic fields, and Bose-Einstein condensates. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Hu, S (reprint author), Los Alamos Natl Lab, Div Theoret, B-212, Los Alamos, NM 87545 USA. NR 10 TC 0 Z9 0 U1 0 U2 0 PU VSP BV-C/O BRILL ACAD PUBL PI LEIDEN PA PO BOX 9000, 2300 PA LEIDEN, NETHERLANDS SN 1573-4196 BN 90-6764-443-9 J9 LECT SER COMPUTER CO PY 2005 VL 4A-4B BP 1118 EP 1121 PG 4 WC Engineering, Multidisciplinary; Mathematics, Applied; Physics, Multidisciplinary; Physics, Mathematical SC Engineering; Mathematics; Physics GA BEL90 UT WOS:000238054400272 ER PT S AU Goldman, N Fried, L AF Goldman, N. Fried, L. E. BE Simos, T Maroulis, G TI Water under the extreme conditions of planetary interiors: Symmetric hydrogen bonding in the superionic phase SO Advances in Computational Methods in Sciences and Engineering 2005, Vols 4 A & 4 B SE LECTURE SERIES ON COMPUTER AND COMPUTATIONAL SCIENCES LA English DT Proceedings Paper CT International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005) CY OCT 21-26, 2005 CL Corinth, GREECE SP Amer Chem Soc, Amer Phys Soc DE superionic; water; ab initio; molecular dynamics; planetary interiors ID ELECTRICAL-CONDUCTIVITY; PRESSURE; AMMONIA; STATE; MBAR AB The predicted superionic phase of water is investigated via ab initio molecular dynamics at densities of 2.0-3.0 g/cc (34-115 GPa) along the 2000K isotherm. We find that extremely rapid (superionic) diffusion of protons occurs in a fluid phase at pressures between 34 and 58 GPa. A transition to a stable body-centered cubic (bcc) 0 lattice with superionic proton conductivity is observed between 70 and 75 GPa, a much higher pressure than suggested in prior work. We find that all molecular species at pressures greater than 75 GPa axe too short lived to be classified as bound states. Above 95 GPa, a transient network phase is found characterized by symmetric O-H hydrogen bonding with nearly 50% covalent character. C1 Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. RP Goldman, N (reprint author), Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, L-268, Livermore, CA 94550 USA. RI Fried, Laurence/L-8714-2014 OI Fried, Laurence/0000-0002-9437-7700 NR 11 TC 0 Z9 0 U1 1 U2 2 PU VSP BV-C/O BRILL ACAD PUBL PI LEIDEN PA PO BOX 9000, 2300 PA LEIDEN, NETHERLANDS SN 1573-4196 BN 90-6764-443-9 J9 LECT SER COMPUTER CO PY 2005 VL 4A-4B BP 1126 EP 1129 PG 4 WC Engineering, Multidisciplinary; Mathematics, Applied; Physics, Multidisciplinary; Physics, Mathematical SC Engineering; Mathematics; Physics GA BEL90 UT WOS:000238054400274 ER PT S AU Germann, TC Holian, BL Kadau, K Lomdahl, PS AF Germann, Timothy C. Holian, Brad Lee Kadau, Kai Lomdahl, Peter S. BE Simos, T Maroulis, G TI Multibillion-atom molecular dynamics simulations of shockwave phenomena on BlueGene/L SO Advances in Computational Methods in Sciences and Engineering 2005, Vols 4 A & 4 B SE LECTURE SERIES ON COMPUTER AND COMPUTATIONAL SCIENCES LA English DT Proceedings Paper CT International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005) CY OCT 21-26, 2005 CL Corinth, GREECE SP Amer Chem Soc, Amer Phys Soc DE molecular dynamics; parallel computing; shock waves; visualization ID WAVES AB The IBM BlueGene/L supercomputer at Lawrence Livermore National Laboratory, with 131,072 processors connected by multiple high-performance networks, enables an exciting new range of physical problems to be investigated. Using either pairwise interactions such as the Lennard-Jones potential, or the embedded atom method (EAM) potential for simple metals, system sizes of more than 300 billion atoms (or a cube of copper more than 1.5 microns on each side) can be modeled. In order to obtain any new physical insights, however, it is equally important that the analysis of such systems be tractable. This is in fact possible, in large part due to our highly efficient parallel visualization code, which enables the rendering of atomic spheres, Eulerian cells, and other geometric objects in a matter of minutes, even for tens of thousands of processors and billions of atoms. We will describe the performance scaling and results obtained for shock compression and release of a defective EAM Cu sample, illustrating the plastic deformation accompanying void collapse as well as the subsequent void growth and linkup upon release. C1 Los Alamos Natl Lab, Div Appl Phys, Los Alamos, NM 87545 USA. RP Germann, TC (reprint author), Los Alamos Natl Lab, Div Appl Phys, X-7 Mat Sci, Los Alamos, NM 87545 USA. NR 9 TC 3 Z9 3 U1 1 U2 4 PU VSP BV-C/O BRILL ACAD PUBL PI LEIDEN PA PO BOX 9000, 2300 PA LEIDEN, NETHERLANDS SN 1573-4196 BN 90-6764-443-9 J9 LECT SER COMPUTER CO PY 2005 VL 4A-4B BP 1138 EP 1141 PG 4 WC Engineering, Multidisciplinary; Mathematics, Applied; Physics, Multidisciplinary; Physics, Mathematical SC Engineering; Mathematics; Physics GA BEL90 UT WOS:000238054400277 ER PT S AU Abdalla, M Chevassut, O Fouque, PA Pointcheval, D AF Abdalla, M Chevassut, O Fouque, PA Pointcheval, D BE Roy, B TI A simple threshold authenticated key exchange from short secrets SO ADVANCES IN CRYPTOLOGY ASIACRYPT 2005 SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Article; Proceedings Paper CT 11th International Conference on the Theory and Application of Cryptology and Information Security CY DEC 04-08, 2005 CL Chennai, INDIA SP Int Assoc Cryptol Res, Indian Inst Technol DE threshold protocols; password-based authentication. ID EXTENDED ABSTRACT; SECURE AB This paper brings the password-based authenticated key exchange (PAKE) problem closer to practice. It takes into account the presence of firewalls when clients communicate with authentication servers. An authentication server can indeed be seen as two distinct entities, namely a gateway (which is the direct interlocutor of the client) and a back-end server (which is the only one able to check the identity of the client). The goal in this setting is to achieve both transparency and security for the client. And to achieve these goals, the most appropriate choices seem to be to keep the client's password private even from the back-end server and use threshold-based cryptography. In this paper, we present the Threshold Password-based Authenticated Key Exchange (GTPAKE) system: GTPAKE uses a pair of public/private keys and, unlike traditional threshold-based constructions, shares only the private key among the servers. The system does no require any certification except during the registration and update of clients' passwords since clients do not use the public-key to authenticate to the gateway. Clients only need to have their password in hand. In addition to client security, this paper also presents highly-desirable security properties such as server password protection against dishonest gateways and key privacy against curious authentication servers. C1 Ecole Normale Super, Dept Informat, F-75230 Paris 05, France. Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Abdalla, M (reprint author), Ecole Normale Super, Dept Informat, 45 Rue Ulm, F-75230 Paris 05, France. EM Michel.Abdalla@ens.fr; OChevassut@lbl.gov; Pierre-Alain.Fouque@ens.fr; David.Pointcheval@ens.fr RI Abdalla, Michel/H-5987-2016 OI Abdalla, Michel/0000-0002-2447-4329 NR 15 TC 21 Z9 22 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-30684-6 J9 LECT NOTES COMPUT SC PY 2005 VL 3788 BP 566 EP 584 PG 19 WC Computer Science, Information Systems; Computer Science, Theory & Methods SC Computer Science GA BDQ24 UT WOS:000234879200031 ER PT S AU West, D Montgomery, F Armstrong, T AF West, David Montgomery, Frederick Armstrong, Timothy BE Yao, S Tuttle, B Randall, C Viehland, D TI DC ELECTRICAL-BIASED, ALL-OXIDE NO(x) SENSING ELEMENTS FOR USE AT 873 K SO ADVANCES IN ELECTRONIC CERAMIC MATERIALS SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 29th International Conference on Advanced Ceramics and Composites CY JAN 23-28, 2005 CL Cocoa Beach, FL SP European Social Fund, Minist Cienc Tecnol ID STABILIZED ZIRCONIA; SOLID-ELECTROLYTE; HIGH-TEMPERATURE; GAS SENSORS AB All-oxide NO(x) sensing elements based on a solid electrolyte are reported. During operation, a DC current, or voltage is applied to the element, and the resultant voltage or current is used as a sensing signal. The elements are nearly "total NO(x)", with responses to NO and NO(2) of the same algebraic sip and similar magnitude. For example, 77 ppm(V) NO produces a voltage change of -37% and 77 ppm(V) NO(2) a change of -40% for a current-biased element at 873 K and 7 vol% O(2). The elements display an [O(2)] sensitivity that is it decreasing function of [NO(x)] and their DC electrical resistance varies exponentially with temperature. These sensing elements could find application in sensors for measuring [NO(x)] at temperatures near 900 K. C1 [West, David; Montgomery, Frederick; Armstrong, Timothy] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP West, D (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. NR 13 TC 2 Z9 2 U1 0 U2 0 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-57498-235-0 J9 CERAM ENG SCI PROC PY 2005 VL 26 IS 5 BP 49 EP 56 PG 8 WC Materials Science, Ceramics SC Materials Science GA BMR05 UT WOS:000273372900005 ER PT S AU Yang, P Voigt, JA Rodriguez, MA Moore, RH Burns, GR AF Yang, Pin Voigt, James A. Rodriguez, Mark A. Moore, Roger H. Burns, George R. BE Yao, S Tuttle, B Randall, C Viehland, D TI EFFECTS OF NIOBIUM ADDITION ON MICROSTRUCTURAL AND ELECTRICAL PROPERTIES OF LEAD ZIRCONATE TITANATE SOLID SOLUTION (PZT 95/5) SO ADVANCES IN ELECTRONIC CERAMIC MATERIALS SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 29th International Conference on Advanced Ceramics and Composites CY JAN 23-28, 2005 CL Cocoa Beach, FL SP European Social Fund, Minist Cienc Tecnol ID FERROELECTRIC PHASES; NEUTRON-DIFFRACTION; CERAMICS; TEMPERATURE; STABILITY AB The impacts of small niobium additions to processing, microstructure, and electrical properties in the Zr-rich lead zirconate titanate ceramics (PZT 95/5) were investigated. The influence of niobium content on dielectric responses and the characteristics of ferroelectric behaviors, as well as the relative phase stability and the hydrostatic pressure induced ferroelectric-to-antiferroelectric phase transformation are reported. Results indicate that increasing the niobium concentration in the solid solutions enhances densification, refines the microstructure, decreases dielectric constant and spontaneous polarization, and stabilizes the ferroelectric phase. The stabilization of ferroelectric phase with respect to the antiferroelectric phase near PZT 9515 composition dramatically increases the pressure required for the ferroelectric-to-antiferroelectric phase transformation. These observations were correlated to the creation of A-site vacancies and a slight modification of the crystal structure. The importance of these composition-property relationships on device application will be presented. C1 [Yang, Pin; Voigt, James A.; Rodriguez, Mark A.; Moore, Roger H.; Burns, George R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Yang, P (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 24 TC 2 Z9 2 U1 1 U2 3 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-57498-235-0 J9 CERAM ENG SCI PROC PY 2005 VL 26 IS 5 BP 187 EP 195 PG 9 WC Materials Science, Ceramics SC Materials Science GA BMR05 UT WOS:000273372900020 ER PT B AU Narumanchi, SVJ Bharathan, D Hassani, V AF Narumanchi, Sreekant V. J. Bharathan, Desikan Hassani, Vahab GP ASME TI Comparison of different single-phase liquid jet impingement cooling configurations in the context of thermal management in power electronics SO Advances in Electronic Packaging 2005, Pts A-C LA English DT Proceedings Paper CT ASME/Pacific Rim Technical Conference on Integration and Packaging of MEMS, NEMS, and Electronic Systems CY JUL 17-22, 2005 CL San Francisco, CA SP ASME, Elect & Photon Packaging Div DE jets; free-surface; submerged; confined; single-phase; correlations; CFD; pressure drop; erosion rate; IGBTs; power electronics ID HEAT-TRANSFER; EROSION; CAVITATION; PLAIN AB Jet impingement has been an attractive cooling option in a number of industries over the past few decades. Over the past fifteen years, jet impingement has been explored as a cooling option in microelectronics. Recently, interest has also been expressed by the automotive industry in exploring jet impingement as an option for cooling power electronics components. The main purpose of this paper is to compare the different single-phase jet impingement configurations, which have been reported in the literature, primarily from a heat transfer viewpoint. The discussion is also from the viewpoint of the cooling of IGBTs (insulated-gate bipolar transistors), which are found in inverters in hybrid automobiles. In the literature, single and multiple submerged as well as free-surface jets have been investigated. A number of correlations for heat transfer from the simulated chip surface have been presented. These correlations, as well as the results from them will be discussed in detail. We will also present results for the average heat transfer coefficient on the chip surface as a function of both coolant mass flow rate as well as velocity. All the results presented are for water jets. A numerical study of some of the single-jet cooling configurations (free-surface as well as submerged) is also performed and the CFD results are compared to the results obtained from the empirical correlations. The pressure drop associated with these jet impingement systems is also examined briefly. From the standpoint of practical implementation, high velocity jets have the potential to erode the material on which they impinge. This paper will briefly discuss erosion rates associated with jets impinging on aluminum and copper. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Narumanchi, SVJ (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. OI Narumanchi, Sreekant/0000-0001-5337-6069 NR 23 TC 0 Z9 0 U1 0 U2 1 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 0-7918-4200-2 PY 2005 BP 577 EP 589 DI 10.1115/IPACK2005-73407 PG 13 WC Engineering, Manufacturing; Engineering, Electrical & Electronic; Engineering, Mechanical SC Engineering GA BFI20 UT WOS:000241978200074 ER PT B AU Serrano, JR Phinney, LM Brooks, CF AF Serrano, Justin R. Phinney, Leslie M. Brooks, Carlton F. GP ASME TI Laser-induced damage of polycrystalline silicon optically powered MEMS actuators SO Advances in Electronic Packaging 2005, Pts A-C LA English DT Proceedings Paper CT ASME/Pacific Rim Technical Conference on Integration and Packaging of MEMS, NEMS, and Electronic Systems CY JUL 17-22, 2005 CL San Francisco, CA SP ASME, Elect & Photon Packaging Div ID BEAM ELECTROTHERMAL ACTUATORS; MECHANICAL SYSTEMS AB Optical MEMS devices are commonly interfaced with lasers for communication, switching, or imaging applications. Dissipation of the absorbed energy in such devices is often limited by dimensional constraints which may lead to overheating and damage of the component. Surface micromachined, optically powered thermal actuators fabricated from two 2.25 pria thick polycrystalline silicon layers were irradiated with 808 nm continuous wave laser light with a 100 pm diameter spot under increasing power levels to assess their resistance to laser-induced damage. Damage occurred immediately after laser irradiation at laser powers above 275 mW and 295 mW for 150 pm diameter circular and 194 gm by 150 pin oval targets, respectively. At laser powers below these thresholds, the exposure time required to damage the actuators increased linearly and steeply as the incident laser power decreased. Increasing the area of the connections between the two polycrystalline silicon layers of the actuator target decreases the extent of the laser damage. Additionally, an optical thermal actuator target with 15 mu m x 15 mu m posts withstood 326 mW for over 16 minutes without exhibiting damage to the surface. C1 Sandia Natl Labs, Thermal Fluids & Aero Expt Sci Dept, Albuquerque, NM 87185 USA. RP Serrano, JR (reprint author), Sandia Natl Labs, Thermal Fluids & Aero Expt Sci Dept, POB 5800,MS 1310, Albuquerque, NM 87185 USA. NR 19 TC 0 Z9 0 U1 0 U2 1 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 0-7918-4200-2 PY 2005 BP 761 EP 766 DI 10.1115/IPACK2005-73322 PG 6 WC Engineering, Manufacturing; Engineering, Electrical & Electronic; Engineering, Mechanical SC Engineering GA BFI20 UT WOS:000241978200097 ER PT B AU Galambos, P James, C AF Galambos, Paul James, Conrad GP ASME TI Surface micromachined microfluidics - Example microsystems, challenges and opportunities SO Advances in Electronic Packaging 2005, Pts A-C LA English DT Proceedings Paper CT ASME/Pacific Rim Technical Conference on Integration and Packaging of MEMS, NEMS, and Electronic Systems CY JUL 17-22, 2005 CL San Francisco, CA SP ASME, Elect & Photon Packaging Div DE surface micromachined microfluidics; DEP; drop ejector AB A variety of fabrication techniques have been used to make microfluidic microsystems: bulk etching in silicon and glass, plastic molding and machining, and PDMS (silicone) casting. Surprisingly the most widely used method of integrated circuit (IC) fabrication (surface micromachining - SMM) has not been extensively utilized in microfluidics despite its wide use in MEMS. There are economic reasons that SMM is not often used in microfluidics; high infrastructure and start-up costs and relatively long fabrication times: and there are technical reasons; packaging difficulties, dominance of surface forces, and fluid volume scaling issues. However, there are also important technical and economic advantages for SMM microfluidics relating to large-scale batch, no-assembly fabrication, and intimate integration of mechanical, electrical, microfluidic, and nano-scale sub-systems on one chip. In our work at Sandia National Laboratories MDL (Microelectronics Development Lab) we have built on the existing MEMS SMM infrastructure to produce a variety of microfluidic microsystems. These example microsystems illustrate the challenges and opportunities associated with SMM microfluidics. In this paper we briefly discuss two SMM microfluldic microsystems (made in the SUMMiT (TM) and SwIFT (TM) processes - www.mdl.sandia.gov/micromachine) in terms of technical challenges and unique SMM microfluidics opportunities. The two example microsystems are a DEP (dielectrophoretic) trap, and a drop ejector patterning system. C1 Sandia Natl Labs, Dept 1769, Albuquerque, NM 87185 USA. RP Galambos, P (reprint author), Sandia Natl Labs, Dept 1769, POB 5800 MS1080, Albuquerque, NM 87185 USA. NR 12 TC 0 Z9 0 U1 0 U2 3 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 0-7918-4200-2 PY 2005 BP 2023 EP 2032 DI 10.1115/IPACK2005-73491 PG 10 WC Engineering, Manufacturing; Engineering, Electrical & Electronic; Engineering, Mechanical SC Engineering GA BFI20 UT WOS:000241978202063 ER PT S AU de la Hoz, SG Sanchez, J Lozano, J Salt, J Fassi, F March, L Adams, DL Poulard, G Goossens, L AF de la Hoz, SG Sanchez, J Lozano, J Salt, J Fassi, F March, L Adams, DL Poulard, G Goossens, L CA DC2 Production Team BE Sloot, PMA Hoekstra, AG Priol, T Reinefeld, A Bubak, M TI ATLAS data challenge 2: A massive Monte Carlo production on the grid SO ADVANCES IN GRID COMPUTING - EGC 2005 SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Article; Proceedings Paper CT European Grid Conference CY FEB 14-16, 2005 CL Amsterdam, NETHERLANDS SP Univ Amsterdam, Dutch Sci Fdn NWO, Sect Exact Sci, SciencePark Amsterdam AB The study and validation of the ATLAS Computing Model started three years ago and will continue for few years in the context of the so-called Data Challenges (DC). DC1 was conducted during 2002-03; the main goals achieved were to set up the simulation data production infrastructure in a real worldwide collaborative effort and to gain experience in exercising an ATLAS wide production model. DC2 (from May until December 2004) is divided into three phases: (i) generate Monte Carlo data using GEANT4 on three different Grid projects: LCG, GRID3 and NorduGrid; (ii) simulate the first pass reconstruction of real data expected in 2007, and (iii) test the Distributed Analysis model. Experience with the use of the system in world-wide DC2 production of ten million events will be presented. We also present how the three Grid flavours are operated. Finally we discuss the first prototypes of Distributed Analysis systems. C1 IFIC, E-46071 Valencia, Spain. Brookhaven Natl Lab, Upton, NY 11973 USA. CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. RP de la Hoz, SG (reprint author), IFIC, Edificio Inst Invest,Apartado Correos 22085, E-46071 Valencia, Spain. EM Santiago.Gonzalez@ific.uv.es; Javier.Sanchez@ific.uv.es; Julio.Lozano@ific.uv.es; Jose.Salt@ific.uv.es; Farida.Fassi@ific.uv.es; Luis.March@ific.uv.es; dladams@bnl.gov; Gilbert.Poulard@cern.ch; Luc.Goossens@cern.ch RI Gonzalez de la Hoz, Santiago/E-2494-2016; Lozano-Bahilo, Julio/F-4881-2016; Fassi, Farida/F-3571-2016 OI Gonzalez de la Hoz, Santiago/0000-0001-5304-5390; Lozano-Bahilo, Julio/0000-0003-0613-140X; Fassi, Farida/0000-0002-6423-7213 NR 11 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-26918-5 J9 LECT NOTES COMPUT SC PY 2005 VL 3470 BP 30 EP 39 PG 10 WC Computer Science, Theory & Methods SC Computer Science GA BCR15 UT WOS:000230883700005 ER PT S AU Astalos, J Cecchini, R Coghlan, B Cowles, R Epting, U Genovese, T Gomes, J Groep, D Gug, M Hanushevsky, A Helm, M Jensen, J Kanellopoulos, C Kelsey, D Marco, R Neilson, I Nicoud, S O'Callaghan, D Quesnel, D Schaeffner, I Shamardin, L Skow, D Sova, M Waananen, A Wolniewicz, P Xing, W AF Astalos, J Cecchini, R Coghlan, B Cowles, R Epting, U Genovese, T Gomes, J Groep, D Gug, M Hanushevsky, A Helm, M Jensen, J Kanellopoulos, C Kelsey, D Marco, R Neilson, I Nicoud, S O'Callaghan, D Quesnel, D Schaeffner, I Shamardin, L Skow, D Sova, M Waananen, A Wolniewicz, P Xing, W BE Sloot, PMA Hoekstra, AG Priol, T Reinefeld, A Bubak, M TI International grid CA interworking, peer review and policy management through the European DataGrid certification authority coordination group SO ADVANCES IN GRID COMPUTING - EGC 2005 SE Lecture Notes in Computer Science LA English DT Article; Proceedings Paper CT European Grid Conference CY FEB 14-16, 2005 CL Amsterdam, NETHERLANDS SP Univ Amsterdam, Dutch Sci Fdn NWO, Sect Exact Sci, SciencePark Amsterdam AB The Certification Authority Coordination Group in the European DataGrid project has created a large-scale Public Key Infrastructure and the policies and procedures to operate it successfully. The infrastructure demonstrates interoperability of multiple certification authorities (CAs) in a novel system of peer-assessment of the roots of trust. Crucial to the assessment is the definition of minimum requirements that all CAs must meet in order to be accepted. The evaluation is aided by software-generated trust matrices. Related work building on this infrastructure is described, The group's policies and experience now form the basis of the new European Policy Management Authority for Grid Authentication in e-Science. C1 Rutherford Appleton Lab, Didcot, Oxon, England. Aristotle Univ Thessaloniki, GR-54006 Thessaloniki, Greece. Trinity Coll Dublin, Dublin, Ireland. Univ Cyprus, Nicosia, Cyprus. CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Forschungszentrum Karlsruhe, D-76021 Karlsruhe, Germany. Slovak Acad Sci, Bratislava, Slovakia. Moscow MV Lomonosov State Univ, Moscow, Russia. Niels Bohr Inst, Copenhagen, Denmark. Stanford Linear Accelerator Ctr, Stanford, CA USA. RP Rutherford Appleton Lab, Didcot, Oxon, England. EM D.P.Kelsey@rl.ac.uk OI Gomes, Jorge/0000-0002-9142-2596; Groep, David/0000-0003-1026-6606 NR 18 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-26918-5 J9 LECT NOTES COMPUT SC PY 2005 VL 3470 BP 285 EP 295 PG 11 WC Computer Science, Theory & Methods SC Computer Science GA BCR15 UT WOS:000230883700030 ER PT S AU Moreau, L Zhao, Y Foster, I Voeckler, J Wilde, M AF Moreau, L Zhao, Y Foster, I Voeckler, J Wilde, M BE Sloot, PMA Hoekstra, AG Priol, T Reinefeld, A Bubak, M TI XDTM: The XML data type and mapping for specifying datasets SO ADVANCES IN GRID COMPUTING - EGC 2005 SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Article; Proceedings Paper CT European Grid Conference CY FEB 14-16, 2005 CL Amsterdam, NETHERLANDS SP Univ Amsterdam, Dutch Sci Fdn NWO, Sect Exact Sci, SciencePark Amsterdam AB We are concerned with the following problem: How do we allow a community of users to access and process diverse data stored in many different formats? Standard data formats and data access APIs can help but are not general solutions because of their assumption of homogeneity. We propose a new approach based on a separation of concerns between logical and physical structure. We use XML Schema as a type system for expressing the logical structure of datasets and define a separate notion of a mapping that combines declarative and procedural elements to describe physical representations. For example, a collection of environmental data might be mapped variously to a set of files, a relational database, or a spreadsheet but can look the same in all three cases to a user or program that accesses the data via its logical structure. This separation of concerns allows us to specify workflows that operate over complex datasets with, for example, selector constructs being used to select and initiate computations on sets of dataset elements-regardless of whether the sets in question are files in a directory, tables in a database, or columns in a spreadsheet. We present the XDTM design and also the results of application experiments with an XDTM prototype. C1 Univ Southampton, Southampton SO9 5NH, Hants, England. Argonne Natl Lab, Argonne, IL 60439 USA. Univ Chicago, Chicago, IL 60637 USA. RP Moreau, L (reprint author), Univ Southampton, Southampton SO9 5NH, Hants, England. RI Moreau, Luc/C-9061-2011; OI Moreau, Luc/0000-0002-3494-120X NR 11 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-26918-5 J9 LECT NOTES COMPUT SC PY 2005 VL 3470 BP 495 EP 505 PG 11 WC Computer Science, Theory & Methods SC Computer Science GA BCR15 UT WOS:000230883700051 ER PT S AU Shen, Q AF Shen, Q BE Hawkes, PW TI Phase problem and reference-beam diffraction SO ADVANCES IN IMAGING AND ELECTRON PHYSICS, VOL 134 SE Advances in Imaging and Electron Physics LA English DT Review; Book Chapter ID X-RAY-DIFFRACTION; VIRTUAL BRAGG SCATTERING; 3-BEAM DIFFRACTION; REFLECTION PHASES; TRIPLET PHASES; QUANTITATIVE-DETERMINATION; THEORETICAL CONSIDERATIONS; MACROMOLECULAR STRUCTURES; KAPPA-DIFFRACTOMETER; MULTIPLE DIFFRACTION C1 Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Shen, Q (reprint author), Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 88 TC 1 Z9 1 U1 1 U2 2 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 1076-5670 BN 0-12-014776-9 J9 ADV IMAG ELECT PHYS JI Adv. Imag. Electron Phys. PY 2005 VL 134 BP 69 EP 112 DI 10.1016/S1076-5670(04)34002-4 PG 44 WC Physics, Applied SC Physics GA BCL98 UT WOS:000229963200002 ER PT S AU Koegler, WS Kegelmeyer, WP AF Koegler, WS Kegelmeyer, WP BE Famili, AF Kok, JN Pena, JM Siebes, A Feelders, A TI FCLib: A library for building data analysis and data discovery tools SO ADVANCES IN INTELLIGENT DATA ANALYSIS VI, PROCEEDINGS SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Article; Proceedings Paper CT 6th International Symposium on Intelligent Data Analysis CY SEP 08-10, 2005 CL Madrid, SPAIN AB In this paper we describe a data analysis toolkit constructed to meet the needs of data discovery in large scale spatio-temporal data. The toolkit is a C library of building blocks that can be assembled into data analyses. Our goals were to build a toolkit which is easy to use, is applicable to a wide variety of science domains, supports feature-based analysis, and minimizes low-level processing. The discussion centers on the design of a data model and interface that best supports these goals and we present three usage examples. C1 Sandia Natl Labs, Livermore, CA 94551 USA. RP Koegler, WS (reprint author), Sandia Natl Labs, POB 969, Livermore, CA 94551 USA. EM wkoegle@ca.sandia.gov; wpk@ca.sandia.gov NR 5 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-28795-7 J9 LECT NOTES COMPUT SC PY 2005 VL 3646 BP 192 EP 203 PG 12 WC Computer Science, Artificial Intelligence; Computer Science, Information Systems; Computer Science, Theory & Methods SC Computer Science GA BDA54 UT WOS:000232273600018 ER PT S AU Yip, AM Ding, C Chan, TF AF Yip, AM Ding, C Chan, TF BE Ho, TB Cheung, D Liu, H TI Dynamic cluster formation using level set methods SO ADVANCES IN KNOWLEDGE DISCOVERY AND DATA MINING, PROCEEDINGS SE LECTURE NOTES IN ARTIFICIAL INTELLIGENCE LA English DT Article; Proceedings Paper CT 9th Pacific/Asia Conference on Knowledge Discovery and Data Mining CY MAY 18-20, 2005 CL Hanoi, VIETNAM AB Density-based clustering has the advantages for (i) allowing arbitrary shape of cluster and (ii) not requiring the number of clusters as input. However, when clusters touch each other, both the cluster centers and cluster boundaries (as the peaks and valleys of the density distribution) become fuzzy and difficult to determine. In higher dimension, the boundaries become wiggly and over-fitting often occurs. We introduce the notion of cluster intensity function (CIF) which captures the important characteristics of clusters. When clusters are well-separated, CIFs are similar to density functions. But as clusters touch each other, CIFs still clearly reveal cluster centers, cluster boundaries, and, degree of membership of each data point to the cluster that it belongs. Clustering through bump hunting and valley seeking based on these functions are more robust than that based on kernel density functions which are often oscillatory or over-smoothed. These problems of kernel density estimation are resolved using Level Set Methods and related techniques. Comparisons with two existing density-based methods, valley seeking and DBSCAN, are presented to illustrate the advantages of our approach. C1 Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. Univ Calif Los Angeles, Dept Math, Los Angeles, CA 90095 USA. RP Yip, AM (reprint author), Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. EM mhyip@math.ucla.edu; chqding@lbl.gov; chan@math.ucla.edu RI Yip, Andy/C-9025-2011; Chan, Tony/A-4166-2013 NR 5 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-26076-5 J9 LECT NOTES ARTIF INT PY 2005 VL 3518 BP 388 EP 398 PG 11 WC Computer Science, Artificial Intelligence; Computer Science, Information Systems SC Computer Science GA BCL84 UT WOS:000229956700045 ER PT S AU Handman, E Elso, C Foote, S AF Handman, E Elso, C Foote, S BE Baker, JR Muller, R Rollinson, D TI Genes and susceptibility to leishmaniasis SO ADVANCES IN PARASITOLOGY, VOL 59 SE Advances in Parasitology LA English DT Review; Book Chapter ID CD4(+) T-CELLS; MURINE CUTANEOUS LEISHMANIASIS; TUMOR-NECROSIS-FACTOR; NITRIC-OXIDE SYNTHASE; NATURAL-KILLER-CELLS; RECOMBINANT CONGENIC STRAINS; COLONY-STIMULATING FACTOR; INNATE IMMUNE-RESPONSE; IFN-GAMMA ANTIBODIES; MAJOR-INFECTED MICE AB Leishmania are digenetic protozoa which inhabit two highly specific hosts, the sandfly where they grow as motile, flagellated promastigotes in the gut, and the mammalian macrophage where they grow intracellularly as non-flagellated amastigotes. Leishmaniasis is the outcome of an evolutionary 'arms race' between the host's immune system and the parasite's evasion mechanisms which ensure survival and transmission in the population. The spectrum of disease manifestations and severity reflects the interaction between the genome of the host and that of the parasite, and the pathology is caused by a combination of host and parasite molecules. This chapter examines the genetic basis of host susceptibility to disease in humans and animal models. It describes the genetic tools used to map and identify susceptibility genes, and the lessons learned from murine and human cutaneous leishmaniasis. C1 Royal Melbourne Hosp, Walter & Eliza Hall Inst Med Res, Melbourne, Vic 3050, Australia. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Handman, E (reprint author), Royal Melbourne Hosp, Walter & Eliza Hall Inst Med Res, Melbourne, Vic 3050, Australia. RI Foote, Simon/F-2802-2013; OI Foote, Simon/0000-0002-9142-2107 NR 240 TC 12 Z9 16 U1 2 U2 4 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0065-308X BN 0-12-031759-1 J9 ADV PARASIT JI Adv.Parasitol. PY 2005 VL 59 BP 1 EP 75 DI 10.1016/S0065-308X(05)59001-8 PG 75 WC Parasitology SC Parasitology GA BDG05 UT WOS:000233334200001 PM 16182864 ER PT S AU Halder, M Chowdhury, PK Gordon, MS Petrich, JW Das, K Park, J Alexeev, Y AF Halder, M. Chowdhury, P. K. Gordon, M. S. Petrich, J. W. Das, K. Park, J. Alexeev, Y. BE Neckers, DC Wolff, T Jenks, WS TI HYPERICIN AND ITS PERYLENE QUINONE ANALOGS: PROBING STRUCTURE, DYNAMICS, AND INTERACTIONS WITH THE ENVIRONMENT SO ADVANCES IN PHOTOCHEMISTRY, VOL 28 SE Advances in Photochemistry LA English DT Article; Book Chapter ID EXCITED-STATE PROTON; H-ATOM-TRANSFER; FLUORESCENCE UP-CONVERSION; ANTIVIRAL AGENT HYPERICIN; SOLVENT POLARIZATION DYNAMICS; HUMAN-IMMUNODEFICIENCY-VIRUS; INTRACELLULAR PH DECREASE; PROTEIN-KINASE-C; INDUCED PHOTOTOXICITY; CELL-LINE C1 [Halder, M.; Chowdhury, P. K.; Gordon, M. S.; Petrich, J. W.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Halder, M.; Chowdhury, P. K.; Das, K.] Ctr Adv Technol, Biomed Applicat Ctr, Indore 452013, Madhya Pradesh, India. [Park, J.] Univ Penn, Dept Chem, Philadelphia, PA 19104 USA. [Gordon, M. S.; Petrich, J. W.; Alexeev, Y.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Halder, M (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RI Petrich, Jacob/L-1005-2015; OI Chowdhury, Pramit/0000-0002-9593-2577 NR 82 TC 2 Z9 2 U1 0 U2 3 PU BLACKWELL SCIENCE PUBL PI OXFORD PA OSNEY MEAD, OXFORD OX2 0EL, ENGLAND SN 0065-3152 BN 978-0-47171-412-5 J9 ADV PHOTOCH PY 2005 VL 28 BP 1 EP 26 DI 10.1002/0471714127.ch1 D2 10.1002/0471714127 PG 26 WC Chemistry, Physical SC Chemistry GA BXY94 UT WOS:000297646500002 ER PT S AU Yang, P Tallant, DR Burns, GR Guo, JP AF Yang, P Tallant, DR Burns, GR Guo, JP BE Bhandarkar, S TI Femtosecond laser induced structural modification and birefriengence in bulk glass for optical waveguide applications SO ADVANCES IN PHOTONIC MATERIALS AND DEVICES SE CERAMIC TRANSACTIONS LA English DT Proceedings Paper CT 106th Annual Meeting of the American-Ceramic-Society CY APR 18-21, 2004 CL Indianapolis, IN SP Amer Ceram Soc ID FUSED-SILICA; PULSES; FABRICATION AB Embedded waveguides and their optical properties in amorphous silica fabricated by femtosecond (fs) laser pulses (800 run, < 125 fs, at 1 kHz) are reported. Experimental results show that there is a narrow operating window to produce low loss waveguides. Raman spectroscopy of the laser-modified glass regions shows a reduction of large network silica rings in the glass, which might contribute to the local densification and refractive index change. Several integrated optical devices such as a Y coupler, directional coupler, and Mach-Zehnder interferometer made by this technique will be presented. An angular dependence of light transmission measured between two cross polarizers on these laser-modified regions suggests that these regions possess an optical birefringent property. Furthermore, the optical axes of laser-induced birefringence can be controlled by the polarization direction of the fs laser. Mechanisms that contribute to the observed laser induced birefringence behavior are discussed. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Yang, P (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 34 TC 0 Z9 0 U1 1 U2 1 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 1042-1122 BN 1-57498-184-6 J9 CERAM TRANS PY 2005 VL 163 BP 61 EP 73 PG 13 WC Instruments & Instrumentation; Materials Science, Ceramics; Optics SC Instruments & Instrumentation; Materials Science; Optics GA BBP70 UT WOS:000226904700005 ER PT S AU Goedeke, SM Hollerman, WA Bergeron, NP Allison, SW Cates, MR Bencic, TJ Mercer, CR Eldridge, JI AF Goedeke, SM Hollerman, WA Bergeron, NP Allison, SW Cates, MR Bencic, TJ Mercer, CR Eldridge, JI BE Bhandarkar, S TI Study of Resbond (R) ceramic binders used for high temperature non-contact thermometry SO ADVANCES IN PHOTONIC MATERIALS AND DEVICES SE CERAMIC TRANSACTIONS LA English DT Proceedings Paper CT 106th Annual Meeting of the American-Ceramic-Society CY APR 18-21, 2004 CL Indianapolis, IN SP Amer Ceram Soc ID THERMOGRAPHIC PHOSPHORS; FLUORESCENCE PROPERTIES AB Fluorescence is a good non-contact thermometry technique in hostile environments such as those found at high temperatures. Phosphors are typically rare earth-doped ceramics that emit light when excited. The intensity, rise time, decay time, and wavelength shift of this emitted light can be temperature dependent. When thermographic phosphors are applied to a surface, with an excitation source and a method to characterize the emission provided; it is possible to determine the surface temperature. One of the simpler methods to apply these coating is through the use of temperature sensitive paints (TSPs). These TSPs are created by mixing phosphor with a binder material to form a sprayable coating that can be easily and economically applied to a large area. Ideally, these phosphor paints need to survive at the limit of the existing decay time data, or 1700 degreesC. The survivability of phosphor paint depends on the physical characteristics of the binder. The goal of this research is to discover binders that will allow phosphor paints to survive at high temperatures. Suitable binders will allow the construction of non-contact measurement devices useful in environments that are not suited for more common thermocouple or infrared devices. For a phosphor paint to be useful at a selected temperature, it must fluoresce when excited and have a measurable decay time. In this study, the Cotronics Resbondo(R) 791, 792, and 793 ceramic binders were evaluated to determine their suitability to serve as binders for a Y2O3:Eu phosphor powder. Post-thermal cycling spectral analysis was used to quantify wavelength and intensity changes in emission from ultraviolet excitation. Several of the paints utilizing their binders were able to survive at 1500 degreesC. C1 Oak Ridge Natl Lab, Engn Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Goedeke, SM (reprint author), Oak Ridge Natl Lab, Engn Sci & Technol Div, POB 2008,M-S 6054, Oak Ridge, TN 37831 USA. NR 13 TC 2 Z9 2 U1 1 U2 3 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 1042-1122 BN 1-57498-184-6 J9 CERAM TRANS PY 2005 VL 163 BP 115 EP 125 PG 11 WC Instruments & Instrumentation; Materials Science, Ceramics; Optics SC Instruments & Instrumentation; Materials Science; Optics GA BBP70 UT WOS:000226904700010 ER PT S AU Aspuru-Guzik, A Lester, WA AF Aspuru-Guzik, A Lester, WA BE Sabin, JR Brandas, E TI Quantum Monte Carlo: Theory and application to molecular systems SO ADVANCES IN QUANTUM CHEMISTRY, VOL 49 SE Advances in Quantum Chemistry LA English DT Review ID FREE-BASE PORPHIN; SODIUM BINARY CLUSTERS; OPTIMIZED WAVE-FUNCTIONS; DOPED SILICON CLUSTERS; MANY-BODY PROBLEMS; ELECTRONIC-STRUCTURES; EXCITED-STATES; GROUND-STATE; EQUILIBRIUM GEOMETRIES; SCHRODINGERS EQUATION C1 Univ Calif Berkeley, Dept Chem, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Aspuru-Guzik, A (reprint author), Univ Calif Berkeley, Dept Chem, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA. EM alan@aspuru.com; walester@lbl.gov RI Aspuru-Guzik, Alan/A-4984-2008 OI Aspuru-Guzik, Alan/0000-0002-8277-4434 NR 143 TC 7 Z9 7 U1 3 U2 12 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0065-3276 BN 0-12-034849-7 J9 ADV QUANTUM CHEM JI Adv. Quantum Chem. PY 2005 VL 49 BP 209 EP 226 DI 10.1016/S0065-3276(05)49004-8 PG 18 WC Chemistry, Physical SC Chemistry GA BDR37 UT WOS:000235075200004 ER PT S AU Williams, MC Strakey, JP Surdoval, WA AF Williams, Mark C. Strakey, Joseph P. Surdoval, Wayne A. BE Bansal, NP TI US DOE SOLID OXIDE FUEL CELLS: TECHNICAL ADVANCES SO ADVANCES IN SOLID OXIDE FUEL CELLS SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 29th International Conference on Advanced Ceramics and Composites CY JAN 23-28, 2005 CL Cocoa Beach, FL SP Amer Ceram Soc AB The U.S. Department of Energy's (DOE) Office of Fossil Energy's (FE) National Energy Technology Laboratory (NETL), in partnership with private industries, is leading the development and demonstration of high efficiency solid oxide fuel cells (SOFCs) and fuel cell turbine (FCT) hybrid power generation systems for distributed generation (DG) markets. The DOE FE DIG program has three aspects: the Solid State Energy Conversion Alliance (SECA), Central Power Systems and the High Temperature Electrochemistry Center (HiTEC). NETL is partnering with Pacific Northwest National Laboratory (PNNL) in developing new directions in research under SECA for the development and commercialization of modular, low cost, and fuel flexible SOFC systems. The SECA initiative, through advanced materials, processing and system integration research and development (R&D) will bring the fuel cell cost to $400 per kilowatt (kW) by 2010 for stationary and auxiliary power unit (APU) markets. The SECA program is currently structured to include six competing industry teams supported by a crosscutting core technology program (CTP). DOE is ultimately concerned with coal-based central power plants. Advanced aspects of solid oxide technology are part of HiTEC R&D. C1 [Williams, Mark C.] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Williams, MC (reprint author), US DOE, Natl Energy Technol Lab, POB 880,3610 Collins Ferry Rd, Morgantown, WV 26507 USA. NR 11 TC 0 Z9 0 U1 1 U2 1 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-57498-234-3 J9 CERAM ENG SCI PROC PY 2005 VL 26 IS 4 BP 15 EP 22 PG 8 WC Electrochemistry; Energy & Fuels; Materials Science, Ceramics SC Electrochemistry; Energy & Fuels; Materials Science GA BMU98 UT WOS:000273628400002 ER PT S AU Simner, SP Anderson, MD Xia, GG Yang, Z Stevenson, JW AF Simner, S. P. Anderson, M. D. Xia, G-G Yang, Z. Stevenson, J. W. BE Bansal, NP TI LONG-TERM SOFC STABILITY WITH COATED FERRITIC STAINLESS STEEL INTERCONNECT SO ADVANCES IN SOLID OXIDE FUEL CELLS SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 29th International Conference on Advanced Ceramics and Composites CY JAN 23-28, 2005 CL Cocoa Beach, FL SP Amer Ceram Soc ID OXIDE FUEL-CELLS; ALLOY SEPARATOR; PERFORMANCE; ELECTRODES; CATHODE; REDUCTION; CONTACT AB This study details long-term performance data for anode-supported thin-film YSZ-based SOFCs utilizing a ferritic stainless steel cathode current collector (Crofer22 APU) coated with a protective (Mn,CO)(3)O(4) spinel to prevent Cr volatilization. Two standard cathode compositions, La(Sr)FeO(3) and La(Sr)MnO(3), were considered. The coating proved effective in blocking Cr migration, which resulted in long-term stability of the manganite cathode. In contrast the ferrite cathode indicated degradation that could not be attributed to Cr poisoning. C1 [Simner, S. P.; Anderson, M. D.; Xia, G-G; Yang, Z.; Stevenson, J. W.] Pacific NW Natl Lab, Div Mat Sci, Richland, WA 99352 USA. RP Simner, SP (reprint author), Pacific NW Natl Lab, Div Mat Sci, Richland, WA 99352 USA. NR 21 TC 6 Z9 6 U1 0 U2 3 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-57498-234-3 J9 CERAM ENG SCI PROC PY 2005 VL 26 IS 4 BP 83 EP 90 PG 8 WC Electrochemistry; Energy & Fuels; Materials Science, Ceramics SC Electrochemistry; Energy & Fuels; Materials Science GA BMU98 UT WOS:000273628400010 ER PT S AU Singh, P Vora, SD AF Singh, Prabhakar Vora, Shailesh D. BE Bansal, NP TI VAPOR PHASE SILICA TRANSPORT DURING SOFC OPERATION AT 1000 degrees C SO ADVANCES IN SOLID OXIDE FUEL CELLS SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 29th International Conference on Advanced Ceramics and Composites CY JAN 23-28, 2005 CL Cocoa Beach, FL SP Amer Ceram Soc ID TEMPERATURES; OXIDATION AB During the operation of tubular solid oxide fuel cells (SOFC) at 1000 degrees C in CH(4)-H(2)O fuel, we observed silica deposit formation on the fuel electrode (Ni-YSZ cermet), nickel felt contacts and reforming catalyst surfaces. Silica deposition on the fuel electrode resulted in the electrical performance degradation, coverage of the catalyst surface and breakdown of the zirconia skeleton present on the fuel electrode. Sources of silica were identified. A thermochemical model Mating to the formation and transport of vapor phase silica species, deposition on the catalytically active surface and interaction with the anode was developed. Vapor transport of silica is considered to take place at the quartz surface in the presence of water vapor. Silica deposition and deactivation of the catalyst is postulated to be due to the dissociation of gaseous hydrated silicious species on the active nickel surface during the reformation of hydrocarbon. Experiments were designed and conducted to validate the mechanism. It is concluded from these experiments that the presence of silica in the solid oxide fuel cell generator and the catalyst support should be eliminated for long term stable operation of cells and generator. C1 [Singh, Prabhakar] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Singh, P (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. NR 15 TC 6 Z9 6 U1 0 U2 4 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-57498-234-3 J9 CERAM ENG SCI PROC PY 2005 VL 26 IS 4 BP 99 EP 110 PG 12 WC Electrochemistry; Energy & Fuels; Materials Science, Ceramics SC Electrochemistry; Energy & Fuels; Materials Science GA BMU98 UT WOS:000273628400012 ER PT S AU Johnson, C Gemmen, R AF Johnson, Christopher Gemmen, Randall BE Bansal, NP TI THE EFFECT OF INVERTER RIPPLE ON SOLID OXIDE FUEL CELL PERFORMANCE SO ADVANCES IN SOLID OXIDE FUEL CELLS SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 29th International Conference on Advanced Ceramics and Composites CY JAN 23-28, 2005 CL Cocoa Beach, FL SP Amer Ceram Soc ID COMPONENTS AB The effect of inverter ripple (feedback on a fuel cell from the DC to AC inverter) current on solid oxide fuel cell performance is not well understood. At NETL, both models and experimental work are being pursued to try and understand the effect of inverter ripple on cell performance. The modeling work has led us to speculate that large oscillations in voltage due to the inverter may have deleterious effects on cell performance and lifetimes. Results showed the behavior of the reactant concentrations within the stack electrodes under inverter loads with frequencies between 60 Hz and 1250 Hz. ne conclusion was that due to the fluctuating reactant concentrations, temporary conditions (on the order of the frequency of ripple) would occur where the concentration of H(2) at the anode/electrolyte interface varied significantly from the average value. Since much work in the development of fuel cells relies on steady state test data, concern is raised that final operation on an inverter would have significantly different performance results. Here we report the results of experimental tests of the effect of ripple on solid oxide fuel cells. Data was acquired over several weeks on the performance of an individual cell while being exposed to 30% ripple current at a frequency of 60Hz. No degradation that could be attributed to inverter ripple was detected over the period of testing. C1 [Johnson, Christopher; Gemmen, Randall] US DOE, Natl Energy Technol Lab, Morgantown, WV 26505 USA. RP Johnson, C (reprint author), US DOE, Natl Energy Technol Lab, Morgantown, WV 26505 USA. NR 14 TC 2 Z9 2 U1 0 U2 1 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-57498-234-3 J9 CERAM ENG SCI PROC PY 2005 VL 26 IS 4 BP 111 EP 117 PG 7 WC Electrochemistry; Energy & Fuels; Materials Science, Ceramics SC Electrochemistry; Energy & Fuels; Materials Science GA BMU98 UT WOS:000273628400013 ER PT S AU Kim, JY Canfield, NL Chick, LA Meinhardt, KD Sprenkle, VL AF Kim, Jin Yong Canfield, Nathan L. Chick, Larry A. Meinhardt, Kerry D. Sprenkle, Vince L. BE Bansal, NP TI CHROMIUM POISONING EFFECTS ON VARIOUS CATHODES SO ADVANCES IN SOLID OXIDE FUEL CELLS SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 29th International Conference on Advanced Ceramics and Composites CY JAN 23-28, 2005 CL Cocoa Beach, FL SP Amer Ceram Soc ID OXIDE FUEL-CELLS; ELECTROCHEMICAL PROPERTIES; TEMPERATURE SOFCS; INTERCONNECTS; ELECTRODES; OPERATION AB Progress in materials and fabrication techniques has allowed the reduction in the operating temperature of solid oxide fuel cells (SOFCs) to an intermediate range (650 similar to 800 degrees C). in this temperature range, oxidation-resistant high-temperature alloys are used for interconnect materials. Chromia-forming ferritic stainless steels are the most promising and widely used oxidation-resistant alloys due to their appropriate thermal expansion behaviors, electrically conducting oxide scale, and low costs. However, the application of chromia-forming alloys for SOFC interconnects has been largely limited by the evaporation of chromium species from their oxide scale, which leads to degradation of cell performance. In this study, we report effects of Cr poisoning on the performance of various cathodes used for intermediate temperature solid oxide fuel cells (IT-SOFCs). C1 [Kim, Jin Yong; Canfield, Nathan L.; Chick, Larry A.; Meinhardt, Kerry D.; Sprenkle, Vince L.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Kim, JY (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA. NR 24 TC 13 Z9 13 U1 0 U2 5 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-57498-234-3 J9 CERAM ENG SCI PROC PY 2005 VL 26 IS 4 BP 129 EP 138 PG 10 WC Electrochemistry; Energy & Fuels; Materials Science, Ceramics SC Electrochemistry; Energy & Fuels; Materials Science GA BMU98 UT WOS:000273628400015 ER PT S AU Jablonski, PD Alman, DE Kung, SC AF Jablonski, Paul D. Alman, David E. Kung, Steven C. BE Bansal, NP TI SURFACE MODIFICATION OF FERRITIC AND NI BASED ALLOYS FOR IMPROVED OXIDATION RESISTANCE IN SOFC APPLICATIONS SO ADVANCES IN SOLID OXIDE FUEL CELLS SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 29th International Conference on Advanced Ceramics and Composites CY JAN 23-28, 2005 CL Cocoa Beach, FL SP Amer Ceram Soc ID HIGH-TEMPERATURE OXIDATION AB This research is aimed at evaluating a surface modification of ferritic stainless steels (Type-430 and Crofer 22APU) and nickel-base alloys (Haynes 230) for use in the SOFC temperature range of 700 to 800 degrees C. A surface treatment was devised to enhance the stability of the base metal oxide that forms and to reduce the oxidation rate of the materials at high temperature. Oxidation tests (in wet air; treated and untreated) were conducted at 800 degrees C to evaluate the corrosion resistance of the alloys. It was found that the surface treatment improved the oxidation resistance of all the alloys tested. However, the treatment improved the performance of 430SS more than that of the other alloys. C1 [Jablonski, Paul D.; Alman, David E.] US DOE, Albany, OR 97321 USA. RP Jablonski, PD (reprint author), US DOE, 1450 Queen Ave SW, Albany, OR 97321 USA. NR 6 TC 9 Z9 9 U1 0 U2 0 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-57498-234-3 J9 CERAM ENG SCI PROC PY 2005 VL 26 IS 4 BP 193 EP 200 PG 8 WC Electrochemistry; Energy & Fuels; Materials Science, Ceramics SC Electrochemistry; Energy & Fuels; Materials Science GA BMU98 UT WOS:000273628400022 ER PT S AU Yang, ZG Xia, GG Simner, SP Stevenson, JW AF Yang, Zhenguo Xia, Guanguang Simner, Steve P. Stevenson, Jeffry W. BE Bansal, NP TI FERRITIC STAINLESS STEEL SOFC INTERCONNECTS WITH THERMALLY GROWN (Mn,CO)(3)O(4) SPINEL PROTECTION LAYERS SO ADVANCES IN SOLID OXIDE FUEL CELLS SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 29th International Conference on Advanced Ceramics and Composites CY JAN 23-28, 2005 CL Cocoa Beach, FL SP Amer Ceram Soc ID OXIDE FUEL-CELLS; CATHODE; DEGRADATION; ALLOYS AB To protect solid oxide fuel cells (SOFCs) from chromium poisoning and improve metallic interconnect stability, manganese cobaltite spinel protection layers with a nominal composition of Mn(1.5)Co(1.5)O(4) were thermally grown on ferritic stainless steels. Thermal, electrical and electrochemical investigations indicated that the spinel protection layers not only significantly decreased the contact resistance, but also effectively acted as a mass barrier to both the oxygen inward and the chromium outward diffusion. A long-term thermal cycling test demonstrated excellent structural and thermomechanical stability of these spinel protection layers. C1 [Yang, Zhenguo; Xia, Guanguang; Simner, Steve P.; Stevenson, Jeffry W.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Yang, ZG (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM zgary.yang@pnl.gov NR 14 TC 4 Z9 4 U1 0 U2 3 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-57498-234-3 J9 CERAM ENG SCI PROC PY 2005 VL 26 IS 4 BP 201 EP 208 PG 8 WC Electrochemistry; Energy & Fuels; Materials Science, Ceramics SC Electrochemistry; Energy & Fuels; Materials Science GA BMU98 UT WOS:000273628400023 ER PT S AU Yang, ZG Xia, GG Stevenson, JW AF Yang, Zhenguo Xia, Guanguang Stevenson, Jeffry W. BE Bansal, NP TI ELECTRICAL CONTACTS BETWEEN CATHODES AND METALLIC INTERCONNECTS IN SOLID OXIDE FUEL CELLS SO ADVANCES IN SOLID OXIDE FUEL CELLS SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 29th International Conference on Advanced Ceramics and Composites CY JAN 23-28, 2005 CL Cocoa Beach, FL SP Amer Ceram Soc ID DEGRADATION; ALLOY AB To minimize electrical resistance and maximize power output, contact layers are often applied between interconnects and electrodes during construction of a SOFC stacks This paper discusses the materials requirements for the electrical contact layers, particularly between cathodes and metallic interconnects. The results from the resistance measurements using simulated cathode/interconnect structures are reported and correlated to interfacial interactions occurring between the metallic interconnect and the contact materials, particularly perovskites. C1 [Yang, Zhenguo; Xia, Guanguang; Stevenson, Jeffry W.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Yang, ZG (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM zgary.yang@pnl.gov NR 13 TC 4 Z9 4 U1 0 U2 1 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-57498-234-3 J9 CERAM ENG SCI PROC PY 2005 VL 26 IS 4 BP 217 EP 224 PG 8 WC Electrochemistry; Energy & Fuels; Materials Science, Ceramics SC Electrochemistry; Energy & Fuels; Materials Science GA BMU98 UT WOS:000273628400025 ER PT S AU Koeppel, BJ Weil, KS AF Koeppel, B. J. Weil, K. S. BE Bansal, NP TI FINITE ELEMENT ANALYSIS OF THE BONDED COMPLIANT SEAL DESIGN - A NEW SEALING CONCEPT FOR USE IN PLANAR SOLID OXIDE FUEL CELLS SO ADVANCES IN SOLID OXIDE FUEL CELLS SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 29th International Conference on Advanced Ceramics and Composites CY JAN 23-28, 2005 CL Cocoa Beach, FL SP Amer Ceram Soc AB A key issue in developing commercially viable planar solid oxide fuel cell stacks is appropriate seal design. We are currently developing an alternative approach to rigid and compressive seal designs that conceptually combines advantages of both techiques, including hermeticity, mechanical integrity, and minimization of interfacial stresses in either of the joint substrate materials, particulary the ceramic. The new seal relies on a plastically deformable metal seal; one that offers a quasi-dynamic mechanical response in that it is adherent to both sealing surfaces, i.e. non-sliding, but readily yields or deforms under thermally generated stresses. In this way, we hope to mitigate the development of stresses in the adjacent ceramic and metal components even when a significant difference in thermal expansion exists between the two materials. Here we employ finite element modeling to assess the potential thermal cycling performance of this design, specifically as it pertains to sealing components with vastly different thermal expansion properties. C1 [Koeppel, B. J.; Weil, K. S.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Koeppel, BJ (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. NR 12 TC 0 Z9 1 U1 0 U2 1 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-57498-234-3 J9 CERAM ENG SCI PROC PY 2005 VL 26 IS 4 BP 227 EP 237 PG 11 WC Electrochemistry; Energy & Fuels; Materials Science, Ceramics SC Electrochemistry; Energy & Fuels; Materials Science GA BMU98 UT WOS:000273628400026 ER PT S AU Chou, YS Stevenson, JW Singh, P AF Chou, Yeong-Shyung Stevenson, Jeffry W. Singh, Prabhakar BE Bansal, NP TI GLASS MICA COMPOSITE SEALS FOR SOLID OXIDE FUEL CELLS SO ADVANCES IN SOLID OXIDE FUEL CELLS SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 29th International Conference on Advanced Ceramics and Composites CY JAN 23-28, 2005 CL Cocoa Beach, FL SP Amer Ceram Soc ID SEALANTS AB A novel glass-mica composite seal was developed based on a previous concept of "infiltrated" mica seals for solid oxide fuel cells. A Ba-Al-Ca silicate sealing glass was mixed with mica flakes to form the glass-mica composite seals. The glass-mica composite seals were tested for thermal cycle stability in terms of the high temperature leakage under applied compressive stresses. Post mortem analyses were used to characterize the fracture and leak path of the glass-mica composite seats. C1 [Chou, Yeong-Shyung; Stevenson, Jeffry W.; Singh, Prabhakar] Pacific NW Natl Lab, Div Mat, Richland, WA 99354 USA. RP Chou, YS (reprint author), Pacific NW Natl Lab, Div Mat, K2-44,POB 999, Richland, WA 99354 USA. NR 16 TC 2 Z9 2 U1 0 U2 2 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-57498-234-3 J9 CERAM ENG SCI PROC PY 2005 VL 26 IS 4 BP 257 EP 264 PG 8 WC Electrochemistry; Energy & Fuels; Materials Science, Ceramics SC Electrochemistry; Energy & Fuels; Materials Science GA BMU98 UT WOS:000273628400029 ER PT S AU Chou, YS Stevenson, JW Singh, P AF Chou, Yeong-Shyung Stevenson, Jeffry W. Singh, Prabhakar BE Bansal, NP TI COMBINED AGEING AND THERMAL CYCLING OF COMPRESSIVE MICA SEALS FOR SOLID OXIDE FUEL CELLS SO ADVANCES IN SOLID OXIDE FUEL CELLS SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 29th International Conference on Advanced Ceramics and Composites CY JAN 23-28, 2005 CL Cocoa Beach, FL SP Amer Ceram Soc ID SEALANTS; SOFC AB Hybrid Phlogopite mica seals were evaluated in a combined ageing and thermal cycling test. Two interlayers were investigated: a glass and a metallic foil. Samples were first aged at 800 degrees C for similar to 500 or similar to 1000 hrs in a simulated SOFC environment, followed by short-term thermal cycling. The results of hybrid mica with glass interlayer showed extensive reaction and poor thermal cycle stability after ageing for 1036 hrs and 21 thermal cycles. Use of the brazing alloy as the interlayer showed no interaction with mica over 504 hrs and reasonable leak rates were maintained through 8 cycles. The leakage development was found to be consistent with fracture surface and microstructure analyses. C1 [Chou, Yeong-Shyung; Stevenson, Jeffry W.; Singh, Prabhakar] Pacific NW Natl Lab, Div Mat, Richland, WA 99354 USA. RP Chou, YS (reprint author), Pacific NW Natl Lab, Div Mat, K2-44,POB 999, Richland, WA 99354 USA. NR 12 TC 0 Z9 0 U1 0 U2 3 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-57498-234-3 J9 CERAM ENG SCI PROC PY 2005 VL 26 IS 4 BP 265 EP 272 PG 8 WC Electrochemistry; Energy & Fuels; Materials Science, Ceramics SC Electrochemistry; Energy & Fuels; Materials Science GA BMU98 UT WOS:000273628400030 ER PT S AU Liu, DJ Krumpelt, M AF Liu, Di-Jia Krumpelt, Michael BE Bansal, NP TI ACTIVITY AND STRUCTURE OF PEROVSKITES AS DIESEL REFORMING CATALYSTS FOR SOLID OXIDE FUEL CELL SO ADVANCES IN SOLID OXIDE FUEL CELLS SE Ceramic Engineering and Science Proceedings LA English DT Proceedings Paper CT 29th International Conference on Advanced Ceramics and Composites CY JAN 23-28, 2005 CL Cocoa Beach, FL SP Amer Ceram Soc AB Recent progress in developing perovskite materials as more cost-effective catalysts in autothermal reforming (ATR) of diesel fuel to hydrogen-rich reformate for solid oxide fuel cell (SOFC) application is reported. Perovskite-type metal oxides with B sites partially exchanged by ruthenium were prepared and evaluated under ATR reaction conditions. The hydrogen yield, reforming efficiency and COx selectivity of these catalysts were investigated using diesel surrogate fuel with 50 ppm sulfur. The catalyst performances have approached or exceeded a benchmark, high-cost rhodium-based material. In parallel with the reactivity study, we also investigated the physical properties of B-site doped perovskites and their impact on the reforming performance using various characterization techniques such as BET, XRD, TPR, SEM and synchrotron X-ray absorption spectroscopy. We found that ruthenium is highly dispersed into perovskite lattice and its redox behavior is directly associated with reforming activity. C1 [Liu, Di-Jia; Krumpelt, Michael] Argonne Natl Lab, Div Chem Engn, Argonne, IL 60439 USA. RP Liu, DJ (reprint author), Argonne Natl Lab, Div Chem Engn, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 3 TC 0 Z9 0 U1 0 U2 0 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-1-57498-234-3 J9 CERAM ENG SCI PROC PY 2005 VL 26 IS 4 BP 317 EP 324 PG 8 WC Electrochemistry; Energy & Fuels; Materials Science, Ceramics SC Electrochemistry; Energy & Fuels; Materials Science GA BMU98 UT WOS:000273628400036 ER PT S AU Raman, S Parvin, B Maxwell, C Barcellos-Hoff, MH AF Raman, S Parvin, B Maxwell, C Barcellos-Hoff, MH BE Bebis, G Boyle, R Koracin, D Parvin, B TI Geometric approach to segmentation and protein localization in cell cultured assays SO ADVANCES IN VISUAL COMPUTING, PROCEEDINGS SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Article; Proceedings Paper CT 1st International Symposium on Visual Computing CY DEC 05-07, 2005 CL Lake Tahoe, NV SP UNR, DRI, LBNL, NASA Ames, intel, Digital Persona, Equinox ID BREAST-CANCER; INSTABILITY; TRANSFORM AB Cell-based fluorescence imaging assays are heterogeneous requiring collection of a large number of images for detailed quantitative analysis. Complexities arise as a result of variation in spatial nonuniformity, shape, overlapping compartments, and scale. A new technique and methodology has been developed and tested for delineating subcellular morphology and partitioning overlapping compartments at multiple scales. This system is packaged as an integrated software platform for quantifying images that are obtained through fluorescence microscopy. Proposed methods are model-based, leveraging geometric shape properties of subcellular compartments and corresponding protein localization. From the morphological perspective, convexity constraint is imposed to delineate, partition, and group nuclear compartments. From the protein localization perspective, radial symmetry is imposed to localize punctate protein events at sub-micron resolution. The technique has been tested against 196 images that were generated to study centrosome abnormalities. Computed representations are evaluated against the ground truth annotation for comparative analysis. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Raman, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. OI Maxwell, Christopher/0000-0002-0860-4031 NR 13 TC 2 Z9 2 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-30750-8 J9 LECT NOTES COMPUT SC PY 2005 VL 3804 BP 427 EP 436 PG 10 WC Computer Science, Artificial Intelligence; Computer Science, Information Systems; Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BDP92 UT WOS:000234830800052 ER PT S AU Tobin, KW Bhaduri, BL Bright, EA Cheriyadat, A Karnowski, TP Palathingal, PJ Potok, TE Price, JR AF Tobin, KW Bhaduri, BL Bright, EA Cheriyadat, A Karnowski, TP Palathingal, PJ Potok, TE Price, JR BE Bebis, G Boyle, R Koracin, D Parvin, B TI Large-scale geospatial indexing for image-based retrieval and analysis SO ADVANCES IN VISUAL COMPUTING, PROCEEDINGS SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Article; Proceedings Paper CT 1st International Symposium on Visual Computing CY DEC 05-07, 2005 CL Lake Tahoe, NV SP UNR, DRI, LBNL, NASA Ames, intel, Digital Persona, Equinox ID ARCHIVES AB We describe a method for indexing and retrieving high-resolution image regions in large geospatial data libraries. An automated feature extraction method is used that generates a unique and specific structural description of each segment of a tessellated input image file, These tessellated regions are then merged into similar groups and indexed to provide flexible and varied retrieval in a query-by-example environment. C1 Oak Ridge Natl Lab, Image Sci & Machine Vis Grp, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Geog Informat Sci & Technol Grp, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Appl Software Engn Res Grp, Oak Ridge, TN 37831 USA. RP Tobin, KW (reprint author), Oak Ridge Natl Lab, Image Sci & Machine Vis Grp, Oak Ridge, TN 37831 USA. EM Tobinkwjr@ornl.gov; Bhaduribl@ornl.gov; Brightea@ornl.gov; Cheriyadatma@ornl.gov; Karnowskitp@ornl.gov; Palathingalp@ornl.gov; Potokte@ornl.gov; Pricejr@ornl.gov OI Potok, Thomas/0000-0001-6687-3435 NR 14 TC 5 Z9 5 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-30750-8 J9 LECT NOTES COMPUT SC PY 2005 VL 3804 BP 543 EP 552 PG 10 WC Computer Science, Artificial Intelligence; Computer Science, Information Systems; Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BDP92 UT WOS:000234830800066 ER PT B AU Flynn, M Abarbanel, H Kenyon, G AF Flynn, M Abarbanel, H Kenyon, G BE Mericsko, R TI Neurally-based algorithms for image processing SO AIPR 2004: 33rd Applied Imagery Pattern Recognition Workshop, Proceedings: EMERGING TECHNOLOGIES AND APPLICATIONS FOR IMAGERY PATTERN RECOGNITION LA English DT Proceedings Paper CT 33rd AIPR Workshop on Emerging Technologies and Application for Imagery Pattern Recognition CY OCT 13-15, 2004 CL Washington, DC SP AIPR Execut Comm, IEEE Comp Soc Tech Comm Pattern Analy & Mach Intelligence ID CAT VISUAL-CORTEX; DEPENDENT NEURONAL OSCILLATIONS; LONG-RANGE SYNCHRONIZATION; LATERAL GENICULATE-NUCLEUS; STRIATE CORTEX; SYNCHRONOUS OSCILLATIONS; SENSORIMOTOR CORTEX; ODOR DISCRIMINATION; TEMPORAL PATTERNS; RECEPTIVE FIELDS AB One of the more difficult problems in image processing is segmentation. The human brain has an ability that is unmatched by any current technology for breaking down the world into distributed features and reconstructing them into distinct objects. Neurons encode information both in the number of spikes fired in a given time period, which indicates the strength with which a given local feature is present, and in the temporal code or relative timing of the spike, indicating whether the individual features are part of the same or different objects. Neurons that respond to contiguous stimuli produce synchronous oscillations, while those that are not fire independently, Thus, neural synchrony could be used as a tag for each pixel in an image indicating to which object it belongs. We have developed a simulation based on the primary visual cortex. We found that neurons that respond to the same object oscillate synchronously while those that respond to different objects fire independently. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Flynn, M (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 55 TC 0 Z9 0 U1 0 U2 0 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA BN 0-7695-2250-5 PY 2005 BP 79 EP 85 PG 7 WC Computer Science, Artificial Intelligence; Imaging Science & Photographic Technology SC Computer Science; Imaging Science & Photographic Technology GA BCF53 UT WOS:000229039200014 ER PT B AU Theiler, J Harvey, N David, NA Irvine, JM AF Theiler, J Harvey, N David, NA Irvine, JM BE Mericsko, R TI Approach to target detection based on relevant metric for scoring performance SO AIPR 2004: 33rd Applied Imagery Pattern Recognition Workshop, Proceedings: EMERGING TECHNOLOGIES AND APPLICATIONS FOR IMAGERY PATTERN RECOGNITION LA English DT Proceedings Paper CT 33rd AIPR Workshop on Emerging Technologies and Application for Imagery Pattern Recognition CY OCT 13-15, 2004 CL Washington, DC SP AIPR Execut Comm, IEEE Comp Soc Tech Comm Pattern Analy & Mach Intelligence AB Improved target detection, reduced false alarm rates, and enhanced timeliness are critical to meeting the requirements of current and future military missions. We present a new approach to target detection, based on a suite of image processing and exploitation tools developed under the Intelligent Searching of Images and Signals (ISIS) Program at Los Alamos National Laboratory. Performance assessment of these algorithms relies on a new metric for scoring target detection that is relevant to the analyst's needs. An object-based loss function is defined by the degree to which the automated processing focuses the analyst's attention on the true targets and avoids false positives. For target detection techniques that produce a pixel-by-pixel classification (and thereby produce not just an identification of the target, but a segmentation as well), standard scoring rules are not appropriate because they unduly penalize partial detections. From a practical standpoint, it is not necessary to identify every single pixel that is on the target; all that is required is that the processing draw the analyst's attention to the target. By employing this scoring metric directly into the target detection algorithm, improved performance in this more practical context can be obtained. C1 Los Alamos Natl Lab, Space & Remote Sensing Sci Grp, Los Alamos, NM 87545 USA. RP Theiler, J (reprint author), Los Alamos Natl Lab, Space & Remote Sensing Sci Grp, Los Alamos, NM 87545 USA. NR 7 TC 0 Z9 0 U1 0 U2 0 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA BN 0-7695-2250-5 PY 2005 BP 184 EP 189 PG 6 WC Computer Science, Artificial Intelligence; Imaging Science & Photographic Technology SC Computer Science; Imaging Science & Photographic Technology GA BCF53 UT WOS:000229039200031 ER PT S AU Bender, MA Bunde, DP Demaine, ED Fekete, SP Leung, VJ Meijer, H Phillips, CA AF Bender, MA Bunde, DP Demaine, ED Fekete, SP Leung, VJ Meijer, H Phillips, CA BE Dehne, F LopezOrtiz, A Sack, JR TI Communication-aware processor allocation for supercomputers SO ALGORITHMS AND DATA STRUCTURES, PROCEEDINGS SE Lecture Notes in Computer Science LA English DT Article; Proceedings Paper CT 9th International Workshop on Algorithms and Data Structures (WADS 2005) CY AUG 15-17, 2005 CL Univ Waterloo, Waterloo, CANADA SP Carleton Univ HO Univ Waterloo ID COMPUTERS AB We give processor- allocation algorithms for grid architectures, where the objective is to select processors from a set of available processors to minimize the average number of communication hops. The associated clustering problem is as follows: Given n points in R-d, find a size-k subset with minimum average pairwise L, distance. We present a natural approximation algorithm and show. that it is a 7/4- approximation for 2D grids. In d dimensions, the approximation guarantee is 2 - 1/2d, which is tight. We also give a polynomial-time approximation scheme (PTAS) for constant dimension d and report on experimental results. C1 SUNY Stony Brook, Dept Comp Sci, Stony Brook, NY 11794 USA. Univ Illinois, Dept Comp Sci, Urbana, IL 61801 USA. MIT, Comp Sci & Artificial Intelligence Lab, Cambridge, MA 02139 USA. Tech Univ Braunschweig, Dept Math Optimizat, D-38106 Braunschweig, Germany. Sandia Natl Labs, Discrete Algorithms & Math Dept, Albuquerque, NM 87185 USA. Queens Univ, Dept Comp & Informat Sci, Kingston, ON K7L 3N6, Canada. RP SUNY Stony Brook, Dept Comp Sci, Stony Brook, NY 11794 USA. EM bender@cs.sunysb.edu; bunde@uiuc.edu; edemaine@mit.edu; s.fekete@tu-bs.de; vjleung@sandia.gov; henk@cs.queensu.ca; caphill@sandia.gov NR 29 TC 2 Z9 2 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-28101-0 J9 LECT NOTES COMPUT SC PY 2005 VL 3608 BP 169 EP 181 PG 13 WC Computer Science, Theory & Methods SC Computer Science GA BCY59 UT WOS:000231873500016 ER PT S AU Harvey, NR Porter, RB AF Harvey, NR Porter, RB BE Shen, SS Lewis, PE TI Spectral morphology for feature extraction from multi- and hyper-spectral imagery SO ALGORITHMS AND TECHNOLOGIES FOR MULTISPECTRAL, HYPERSPECTRAL, AND ULTRASPECTRAL IMAGERY XI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Algorithms and Technologies for Multispectral, Hyperspectral, and Ultraspectral Imagery XI CY MAR 28-APR 01, 2005 CL Orlando, FL SP SPIE, Ball Aerosp & Technol Corp, Univ Central Florida, Coll Opt & Photon, Florida Space Inst, FOI, Swedish Def Res Agcy, Univ Central Florida DE mathematical morphology; multispectral; optimization; image processing; feature extraction ID GENETIC ALGORITHMS; OPERATIONS; FILTERS; OPTIMIZATION; DESIGN AB For accurate and robust analysis of remotely-sensed imagery it is necessary to combine the information from both spectral and spatial domains in a meaningful manner. The two domains are intimately linked: objects in a scene are defined in terms of both their composition and their spatial arrangement, and cannot accurately be described by information from either of these two domains on their own. To date there have been relatively few methods for combining spectral and spatial information concurrently. Most techniques involve separate processing for extracting spatial and spectral information. In this paper we will describe several extensions to traditional morphological operators that can treat spectral and spatial domains concurrently and can be used to extract relationships between these domains in a meaningful way. This includes the investgation and development of suitable vector-ordering metrics and machine-learning-based techniques for optimizing the various parameters of the morphological operators, such as morphological operator, structuring element and vector ordering metric. We demonstrate their application to a range of multi- and hyper-spectral image analysis problems. C1 Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. EM harve@lanl.gov; rporter@lanl.gov NR 19 TC 1 Z9 1 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 0-8194-5791-4 J9 PROC SPIE PY 2005 VL 5806 BP 100 EP 111 DI 10.1117/12.602747 PN 1&2 PG 12 WC Remote Sensing; Imaging Science & Photographic Technology SC Remote Sensing; Imaging Science & Photographic Technology GA BCR68 UT WOS:000230952600010 ER PT S AU Perkins, S Edlund, K Esch-Mosher, D Eads, D Harvey, N Brumby, S AF Perkins, S Edlund, K Esch-Mosher, D Eads, D Harvey, N Brumby, S BE Shen, SS Lewis, PE TI Genie pro: Robust image classification using shape, texture and spectral information SO Algorithms and Technologies for Multispectral, Hyperspectral, and Ultraspectral Imagery XI SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT Conference on Algorithms and Technologies for Multispectral, Hyperspectral, and Ultraspectral Imagery XI CY MAR 28-APR 01, 2005 CL Orlando, FL SP SPIE, Ball Aerosp & Technol Corp, Univ Central Florida, Coll Opt & Photon, Florida Space Inst, FOI, Swedish Def Res Agcy, Univ Central Florida AB We present Genie Pro, a new software tool for image analysis produced by the ISIS (Intelligent Search in Images and Signals) group at Los Alamos National Laboratory. Like the earlier GENIE tool produced by the same group, Genie Pro is a general purpose adaptive tool that derives automatic pixel classification algorithms for satellite/aerial imagery, from training input provided by a human expert. Genie Pro is a complete rewrite of our earlier work that incorporates many new ideas and concepts. In particular, the new software integrates spectral information; and spatial cues such as texture, local morphology and large-scale shape information; in a much more sophisticated way. In addition, attention has been paid to how the human expert interacts with the software: Genie Pro facilitates highly efficient training through an interactive and iterative "training dialog". Finally, the new software runs on both Linux and Windows platforms, increasing its versatility. We give detailed descriptions of the new techniques and ideas in Genie Pro, and summarize the results of a recent evaluation of the software. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Perkins, S (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 5 TC 9 Z9 9 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 0-8194-5791-4 J9 P SOC PHOTO-OPT INS PY 2005 VL 5806 BP 139 EP 148 DI 10.1117/12.604519 PN 1&2 PG 10 WC Remote Sensing; Imaging Science & Photographic Technology SC Remote Sensing; Imaging Science & Photographic Technology GA BCR68 UT WOS:000230952600014 ER PT S AU Theiler, J Foy, BR Fraser, AM AF Theiler, J Foy, BR Fraser, AM BE Shen, SS Lewis, PE TI Characterizing non-Gaussian clutter and detecting weak gaseous plumes in hyperspectral imagery SO Algorithms and Technologies for Multispectral, Hyperspectral, and Ultraspectral Imagery XI SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT Conference on Algorithms and Technologies for Multispectral, Hyperspectral, and Ultraspectral Imagery XI CY MAR 28-APR 01, 2005 CL Orlando, FL SP SPIE, Ball Aerosp & Technol Corp, Univ Central Florida, Coll Opt & Photon, Florida Space Inst, FOI, Swedish Def Res Agcy, Univ Central Florida DE imagery; hyperspectral; clutter; non-Gaussian; matched filter; chemical plume ID MATCHED-FILTER DETECTION; IMAGING DATA; DIMENSIONALITY REDUCTION; SUBSPACE PROJECTION AB To detect weak signals on cluttered backgrounds in high dimensional spaces (such as gaseous plumes in hyperspectral imagery) without excessive false alarms requires that the background clutter be effectively characterized. If the clutter is Gaussian, the well-known linear matched filter optimizes the sensitivity to a given plume signal while suppressing the effect of the background clutter. In practice, the background clutter is rarely Gaussian. Here we illustrate non-linear corrections to the matched filter that are optimal for two non-Gaussian clutter models and we report on parametric and nonparametric characterizations of background clutter. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Theiler, J (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 23 TC 24 Z9 24 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 0-8194-5791-4 J9 P SOC PHOTO-OPT INS PY 2005 VL 5806 BP 182 EP 193 DI 10.1117/12.604075 PN 1&2 PG 12 WC Remote Sensing; Imaging Science & Photographic Technology SC Remote Sensing; Imaging Science & Photographic Technology GA BCR68 UT WOS:000230952600018 ER PT S AU Cowell, AJ Havre, S May, R Sanfilippo, A AF Cowell, AJ Havre, S May, R Sanfilippo, A BE Cai, Y TI Scientific discovery within data streams SO AMBIENT INTELLIGENCE FOR SCIENTIFIC DISCOVERY: FOUNDATIONS, THEORIES, AND SYSTEMS SE Lecture Notes in Computer Science LA English DT Article; Proceedings Paper CT Workshop on Ambient Intelligence for Scientific Discovery CY APR 25, 2004 CL Vienna, AUSTRIA SP SIGCHI C1 Pacific NW Natl Lab, Richland, WA USA. RP Pacific NW Natl Lab, Richland, WA USA. EM andrew.cowell@pnl.gov; sue.havre@pnl.gov; richard.may@pnl.gov; antonio.sanfilippo@pnl.gov RI Sanfilippo, Antonio/B-6743-2016 OI Sanfilippo, Antonio/0000-0001-7097-4562 NR 12 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-24466-2 J9 LECT NOTES COMPUT SC PY 2005 VL 3345 BP 66 EP 80 PG 15 WC Computer Science, Artificial Intelligence; History & Philosophy Of Science SC Computer Science; History & Philosophy of Science GA BCD95 UT WOS:000228798400004 ER PT J AU van Mol, AMB Alcott, GR Allendorf, MD AF van Mol, AMB Alcott, GR Allendorf, MD TI Tin oxide precursor chemistry and its link to coating properties SO AMERICAN CERAMIC SOCIETY BULLETIN LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; THIN-FILMS; TETRAMETHYLTIN; CVD; OXIDATION C1 TNO TPD, Div Models & Proc, Eindhoven, Netherlands. Sandia Natl Labs, Combust Res Facil, Livermore, CA USA. RP van Mol, AMB (reprint author), TNO TPD, Div Models & Proc, Eindhoven, Netherlands. NR 23 TC 5 Z9 5 U1 1 U2 4 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, PO BOX 6136, WESTERVILLE, OH 43086-6136 USA SN 0002-7812 J9 AM CERAM SOC BULL JI Am. Ceram. Soc. Bull. PD JAN PY 2005 VL 84 IS 1 BP 37 EP 41 PG 5 WC Materials Science, Ceramics SC Materials Science GA 008SD UT WOS:000235060100043 ER PT J AU Marshall, SL Blencoe, JG AF Marshall, SL Blencoe, JG TI Generalized least-squares fit of multiequation models SO AMERICAN JOURNAL OF PHYSICS LA English DT Article ID PARAMETER-ESTIMATION; THERMODYNAMIC PROPERTIES; ADMITTANCE DATA; FLUID REGION; MELTING LINE; VARIABLES; STATE; PRESSURES; EQUATION; UNCERTAINTIES AB A method for fitting multiequation models to data sets of finite precision is proposed. This is based on the Gauss-Newton algorithm devised by Britt and Luecke (1973); the inclusion of several equations of condition to be satisfied at each data point results in a block diagonal form for the effective weighting matrix. This method allows generalized nonlinear least-squares fitting of functions that are more easily represented in the parametric form (x(t),y(t)) than as an explicit functional relationship of the form y=f(x). The Aitken (1935) formulas appropriate to multiequation weighted nonlinear least squares are recovered in the limiting case where the variances and covariances of the independent variables are zero. Practical considerations relevant to the performance of such calculations, such as the evaluation of the required partial derivatives and matrix products, are discussed in detail, and the operation of the algorithm is illustrated by applying it to the fit of complex permittivity data to the Debye equation. (C) 2005 American Association of Physics Teachers. C1 Electrochem Syst Inc, Oak Ridge, TN 37830 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37830 USA. RP Marshall, SL (reprint author), Electrochem Syst Inc, 102 Midland Rd, Oak Ridge, TN 37830 USA. EM marshallsl@ornl.gov RI Marshall, Simon/E-9518-2010 NR 50 TC 3 Z9 3 U1 3 U2 8 PU AMER ASSOC PHYSICS TEACHERS AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 0002-9505 J9 AM J PHYS JI Am. J. Phys. PD JAN PY 2005 VL 73 IS 1 BP 69 EP 82 DI 10.1119/1.1781663 PG 14 WC Education, Scientific Disciplines; Physics, Multidisciplinary SC Education & Educational Research; Physics GA 881MB UT WOS:000225870500010 ER PT J AU Lower, BH Hochella, MF Lower, SK AF Lower, BH Hochella, MF Lower, SK TI Putative mineral-specific proteins synthesized by a metal reducing bacterium SO AMERICAN JOURNAL OF SCIENCE LA English DT Article ID SHEWANELLA-PUTREFACIENS MR-1; OUTER-MEMBRANE CYTOCHROMES; TWO-DIMENSIONAL ELECTROPHORESIS; EXTRACELLULAR ELECTRON-TRANSFER; CRYSTALLINE IRON(III) OXIDES; BIOLOGICAL FORCE MICROSCOPY; GENERAL SECRETORY PATHWAY; IMMOBILIZED PH GRADIENTS; ESCHERICHIA-COLI EPEC; HYDROUS FERRIC-OXIDE AB Biological force microscopy (BFM) was combined with two-dimensional gel electrophoresis and mass spectrometry to search for evidence of putative mineral-specific outer membrane proteins (OM) synthesized by Shewanella oneidensis for Fe-oxide binding and/or anaerobic Fe(III) reduction. BFM shows that S. oneidensis possess an affinity towards goethite (FeOOH) but not diaspore (AlOOH) under anaerobic conditions, despite the fact that diaspore is isostructural with goethite and has essentially the same surface charge. The worm-like chain model was used to identify force-signatures indicative of putative OM polypeptides that bind to goethite. Two-dimensional protein expression patterns show that over 100 OM proteins are differentially expressed under aerobic versus anaerobic Fe(III) reducing conditions. Peptide mass fingerprinting and tandem mass spectrometry were used to identify several of the protein spots predominately detected when Fe(III) was the terminal electron acceptor. Among those identified were proteins involved in metal reduction, protein transport and secretion, polysaccharide biosynthesis and export, and hypothetical proteins with unknown functions. A comparison of the BFM and proteomic data suggest that a few specific OM proteins are synthesized by S. oneidensis under anaerobic conditions to function in iron oxide binding and/or Fe(III) reduction. This suggests the intriguing possibility that metal reducing bacteria contain the genetic repertoire to make proteins directed at specific inorganic phases. C1 Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. Virginia Tech, Dept Geosci, Nanogeosci & Technol Lab, Blacksburg, VA 24061 USA. Ohio State Univ, Mendenhall Lab 275, Columbus, OH 43210 USA. RP Lower, BH (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, POB 999,K8-96,Q Ave, Richland, WA 99352 USA. EM brian.lower@pnl.gov RI Lower, Steven/A-2440-2008 OI Lower, Steven/0000-0001-9796-0830 NR 89 TC 15 Z9 17 U1 0 U2 13 PU AMERICAN JOURNAL OF SCIENCE PI NEW HAVEN PA YALE UNIV, PO BOX 208109, NEW HAVEN, CT 06520-8109 USA SN 0002-9599 J9 AM J SCI JI Am. J. Sci. PY 2005 VL 305 IS 6-8 SI SI BP 687 EP 710 DI 10.2475/ajs.305.6-8.687 PG 24 WC Geosciences, Multidisciplinary SC Geology GA 003CP UT WOS:000234659500012 ER PT J AU Li, YL Zheng, YF Fu, B AF Li, YL Zheng, YF Fu, B TI Mossbauer spectroscopy of omphacite and garnet pairs from eclogites: Application to geothermobarometry SO AMERICAN MINERALOGIST LA English DT Article ID ULTRAHIGH-PRESSURE ROCKS; OXYGEN-ISOTOPE EQUILIBRIUM; COESITE-BEARING ECLOGITES; EAST-CENTRAL CHINA; DABIE-SHAN; FERRIC IRON; METAMORPHIC ROCKS; MINERAL CHEMISTRY; ORTHO-PYROXENE; SM-ND AB Cation partition among coexisting minerals has been widely applied to eclogite thermometry, but an accurate estimation of Fe3+ content compared to total Fe is crucial in obtaining reasonable temperatures for petrologic studies. Room-temperature Mossbauer spectroscopy was measured for gamet-omphacite pairs in high-pressure (HP) and ultrahigh-pressure (UHP) eclogites from the Dabie terrane in east-central China. The results show very low Fe3+/SigmaFe ratios of 0.026 to 0.082 in garnet but high Fe3+/SigmaFe ratios of 0.240 to 0.689 in omphacite. The hyperfine parameters of minerals record the HP-UHP conditions that the eclogites experienced. Fe2+ in clinopyroxenes with low Na + Ca contents in their M2 sites shows pressure-induced occupation in M1 site. The quadrupole splitting of Fe2+ in HP-UHP garnets (3.61 to 3.77 mm/s) and omphacites (2.77 to 3.06 mm/s) are among the highest values ever reported, indicating effectively pressure-regulated polyhedral sites. After the Fe3+ was corrected, Fe2+-Mg partitioning not only significantly narrow the ranges relative to those without Fe3+ correction, but also yield temperatures about 8 to 370 degreesC lower than the uncorrected temperatures for the same garnet-pyroxene pairs. The recalculated temperatures are constrained to narrow ranges of 477 to 647 degreesC for quartz-bearing eclogites and 624 to 843 degreesC for coesite-bearing eclogites. These maximum values provide close proxies to peak metamorphic temperatures provided that the retrograde exchange of Fe-Mg cations by diffusion between minerals during exhumation is taken into account. C1 Univ Sci & Technol China, Sch Earth & Space Sci, Hefei 230026, Peoples R China. Savannah River Ecol Lab, Aiken, SC 29802 USA. RP Univ Sci & Technol China, Sch Earth & Space Sci, Hefei 230026, Peoples R China. EM yfzheng@ustc.edu.cn RI Zheng, Yong-Fei/C-4781-2008 OI Zheng, Yong-Fei/0000-0003-0332-4871 NR 94 TC 31 Z9 37 U1 0 U2 4 PU MINERALOGICAL SOC AMER PI CHANTILLY PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA SN 0003-004X EI 1945-3027 J9 AM MINERAL JI Am. Miner. PD JAN PY 2005 VL 90 IS 1 BP 90 EP 100 DI 10.2138/am.2005.1400 PG 11 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 887PR UT WOS:000226318500011 ER PT J AU Bargar, JR Tebo, BM Bergmann, U Webb, SM Glatzel, P Chiu, VQ Villalobos, M AF Bargar, JR Tebo, BM Bergmann, U Webb, SM Glatzel, P Chiu, VQ Villalobos, M TI Biotic and abiotic products of Mn(II) oxidation by spores of the marine Bacillus sp. strain SG-1 SO AMERICAN MINERALOGIST LA English DT Article ID X-RAY-FLUORESCENCE; OXYGEN-EVOLVING COMPLEX; ACID ROCK DRAINAGE; MANGANESE OXIDES; PHOTOSYSTEM-II; CRYSTAL-STRUCTURES; EMISSION-SPECTRA; HYPORHEIC ZONE; MN; SPECTROSCOPY AB Bacterial Mn(II) oxidization by spores of Bacillus, sp. strain SG-1 has been systematically probed over the time scale 0.22 to 77 days under in-situ conditions and at differing Mn(II) concentrations. Three complementary techniques, K-edge X-ray absorption near-edge spectroscopy (XANES), X-ray emission spectroscopy (XES), and in-situ synchrotron radiation-based X-ray diffraction (SR-XRD), have been utilized to examine time-dependent changes in Mn oxidation state, local-, and long-range structure in amorphous, crystalline, cell-bound, and solute Mn species. The primary solid biogenic product of Mn(II) oxidation is an X-ray amorphous oxide similar to delta-MnO(2), which has a Mn oxidation state between 3.7 and 4.0. Reaction of Mn(II) with the primary biogenic oxide results in the production of abiotic secondary products, feitknechtite or a 10 Angstrom Na phyllomanganate. The identity of the secondary product depends upon the Mn(II) concentration as described by thermodynamic relations. A decrease in the dissolved Mn(II) concentration is followed by mineralogic transformation of the secondary products. Thus, Mn(II) appears to act as a reductant toward the biogenic oxide and to control the stability of secondary reaction products. Mineralogic changes similar to these are likely to be commonplace in natural settings where bacterial Mn(II) oxidation is occurring and may liberate sorbed metal ions or alter the rates of important Mn oxide surface-mediated processes such as the degradation of organic molecules. It is plausible that microbes may exploit such mineral transformation reactions to indirectly control specific chemical conditions in the vicinity of the cell. C1 Stanford Linear Accelerator Ctr, Stanford Synchrotron Radiat Lab, Stanford, CA 94309 USA. Univ Calif San Diego, Scripps Inst Oceanog, Div Marine Biol Res, La Jolla, CA 92093 USA. Univ Utrecht, Dept Inorgan Chem & Catalysis, NL-3584 CA Utrecht, Netherlands. Univ Nacl Autonoma Mexico, Inst Geog, LAFQA, Environm Biogeochem Grp, Coyoacan 04510, DF, Mexico. RP Bargar, JR (reprint author), Stanford Linear Accelerator Ctr, Stanford Synchrotron Radiat Lab, Stanford, CA 94309 USA. EM bargar@ssrl.slac.stanford.edu RI Villalobos, Mario/A-1203-2007; Glatzel, Pieter/E-9958-2010; ID, BioCAT/D-2459-2012; Webb, Samuel/D-4778-2009; Tebo, Bradley/A-8432-2017 OI Glatzel, Pieter/0000-0001-6532-8144; Webb, Samuel/0000-0003-1188-0464; Tebo, Bradley/0000-0002-6301-4325 NR 51 TC 115 Z9 123 U1 7 U2 46 PU MINERALOGICAL SOC AMER PI CHANTILLY PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA SN 0003-004X J9 AM MINERAL JI Am. Miner. PD JAN PY 2005 VL 90 IS 1 BP 143 EP 154 DI 10.2138/am.2005.1557 PG 12 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 887PR UT WOS:000226318500016 ER PT J AU Jackson, JM Sturhahn, W Shen, GY Zhao, JY Hu, MY Errandonea, D Bass, JD Fei, YW AF Jackson, JM Sturhahn, W Shen, GY Zhao, JY Hu, MY Errandonea, D Bass, JD Fei, YW TI A synchrotron Mossbauer spectroscopy study of (Mg,Fe)SiO3 perovskite up to 120 GPa SO AMERICAN MINERALOGIST LA English DT Article ID NUCLEAR RESONANT SCATTERING; FERRIC IRON CONTENT; EARTHS LOWER MANTLE; ELECTRICAL-CONDUCTIVITY; SILICATE PEROVSKITE; HIGH-PRESSURE; CRYSTAL-STRUCTURE; MG0.9FE0.1SIO3 PEROVSKITE; PHASE-TRANSITIONS; TEMPERATURE AB The electronic environment of the Fe nuclei in two silicate perovskite samples, Fe0.05Mg0.95SiO3 (Pv05) and Fe0.1Mg0.9SiO3 (Pv10), have been measured to 120 GPa and 75 GPa, respectively, at room temperature using diamond anvil cells and synchrotron Mossbauer spectroscopy (SMS). Such investigations of extremely small and dilute Fe-57-bearing samples have become possible through the development of SMS. Our results are explained in the framework of the "three-doublet" model, which assumes two Fe2+-like sites and one Fe3+-Iike site that are well distinguishable by the hyperfine fields at the location of the Fe nuclei. At low pressures, Fe3+/SigmaFe is about 0.40 for both samples. Our results show that at pressures extending into the lowermost mantle the fraction of Fell remains essentially unchanged, indicating that pressure alone does not alter the valence states of iron in (Mg,Fe)SiO3 perovskite. The quadrupole splittings of all Fe sites first increase with increasing pressure, which suggests an increasingly distorted (noncubic) local iron environment. Above pressures of 40 GPa for Pv10 and 80 GPa for Pv05, the quadrupole splittings are relatively constant, suggesting an increasing resistance of the lattice against further distortion. Around 70 GPa, a change in the volume dependence of the isomer shift could be indicative of the endpoint of a continuous transition of Fe3+ from a high-spin to a low-spin state. C1 Univ Illinois, Dept Geol, Urbana, IL 61801 USA. Argonne Natl Lab, Adv Photon Source, HP CAT, Argonne, IL 60439 USA. Univ Chicago, Consortium Adv Radiat Sources, Chicago, IL 60637 USA. Carnegie Inst Washington, Washington, DC 20015 USA. RP Jackson, JM (reprint author), Univ Illinois, Dept Geol, Urbana, IL 61801 USA. EM jmjackso@uiuc.edu RI Shen, Guoyin/D-6527-2011; Fei, Yingwei/F-3709-2011; Bass, Jay/G-2599-2013; Errandonea, Daniel/J-7695-2016 OI Fei, Yingwei/0000-0001-9955-5353; Errandonea, Daniel/0000-0003-0189-4221 NR 55 TC 120 Z9 121 U1 1 U2 13 PU MINERALOGICAL SOC AMER PI WASHINGTON PA 1015 EIGHTEENTH ST, NW SUITE 601, WASHINGTON, DC 20036 USA SN 0003-004X J9 AM MINERAL JI Am. Miner. PD JAN PY 2005 VL 90 IS 1 BP 199 EP 205 DI 10.2138/am.2005.1633 PG 7 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 887PR UT WOS:000226318500023 ER PT J AU Walker, D Verma, PK Cranswick, LMD Clark, SM Jones, RL Buhre, S AF Walker, D Verma, PK Cranswick, LMD Clark, SM Jones, RL Buhre, S TI Halite-sylvite thermoconsolution SO AMERICAN MINERALOGIST LA English DT Article ID CRYSTALLINE SOLUTIONS; THERMAL-EXPANSION; TEMPERATURE; EQUATIONS; HALIDES; VOLUMES; STATE; NACL; KCL AB An asymmetric binary Margules formulation for excess Gibbs energy, enthalpy, and entropy is adequate to describe the 1 bar halite-sylvite solvus in NaCl-KCl (Thompson and Waldbaum 1969). However, a binary Margules formulation is not adequate to describe excess volumes of single-phase chlorides in P-V-T-X from ambient P-T to similar to20 kbar and 700degreesC. Excess volumes across NaCl-KCl increase with temperature, decrease with pressure, and show systematic deficits in the consolute region. These patterns can be explained by the importance of a third component- vacancy defects that relieve the lattice stresses of K-Na size mismatch. New, two-phase observations in P-V-T-X allow delineation of the excess Gibbs energies to high pressures where the excess enthalpies and entropies do not depend on Tat each P, but show significant variation between 1 bar and similar to20 kbar. The volume, entropy, and enthalpy of K-Na mixing become more ideal at high pressure. But the solvus expands with pressure because entropy approaches ideality faster than enthalpy and, therefore, Gibbs energy of K-Na mixing becomes less ideal with pressure. The consolute temperature rises about 80degreesC in 17 kbar, with little change in consolute composition. The binary Margules equation of state provides a prediction of the rise of the solvus that is impressively convergent with the new observations. This convergence is especially impressive given the clear inadequacies of the binary excess volume formulation on which the prediction is based. C1 Columbia Univ, Lamont Doherty Earth Observ, Palisades, NY 10964 USA. Columbia Univ, Dept Earth & Environm Sci, Palisades, NY 10964 USA. Univ Delhi, Dept Geol, Delhi 110007, India. CNR, Neutron Program Mat Res, Chalk River Labs, Chalk River, ON K0J 1J0, Canada. CLRC, Daresbury Lab, Warrington WA4 4AD, Cheshire, England. LBNL, Adv Light Source, Berkeley, CA 94720 USA. JW Goethe Univ, Inst Mineral, D-60054 Frankfurt, Germany. RP Walker, D (reprint author), Columbia Univ, Lamont Doherty Earth Observ, Palisades, NY 10964 USA. EM dwalker@ldeo.columbia.edu RI Clark, Simon/B-2041-2013 OI Clark, Simon/0000-0002-7488-3438 NR 16 TC 8 Z9 8 U1 1 U2 4 PU MINERALOGICAL SOC AMER PI WASHINGTON PA 1015 EIGHTEENTH ST, NW SUITE 601, WASHINGTON, DC 20036 USA SN 0003-004X J9 AM MINERAL JI Am. Miner. PD JAN PY 2005 VL 90 IS 1 BP 229 EP 239 DI 10.2138/am.2005.1565 PG 11 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 887PR UT WOS:000226318500026 ER PT J AU Lee, Y Hriljac, JA Vogt, T AF Lee, Y Hriljac, JA Vogt, T TI Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire: Synchrotron X-ray powder diffraction and Rietveld analysis SO AMERICAN MINERALOGIST LA English DT Article ID STRUCTURE REFINEMENT; CRYSTAL-STRUCTURE; NATROLITE; PARANATROLITE; ZEOLITES; GONNARDITE AB The temperature-dependent evolution of the crystal structure of natural tetranatrolite (Mt. Saint-Hilaire, approximate formula Na5.85Ca1.90Al9.25Si10.75O40.11H(2)O) was investigated using monochromatic synchrotron X-ray powder diffraction and Rietveld analysis. The room-temperature structural model reveals characteristic Al/Si and Na/Ca disordering over the framework tetrahedral and nonframework cation sites, respectively. Water molecules at the OW4 and OW5 sites along the elliptical channels surround the nonframework cations with full and partial occupancies, respectively, similar to what was observed in previous single crystal studies. As the temperature increases up to 300degreesC, the partially occupied OW5 site is gradually dehydrated whereas the fully occupied OW4 site and the disordered Na/Ca site remain fully occupied. Upon complete dehydration of the OW5 site at 300degreesC, another phase appears with similar to1.8% expansion and similar to6.7% reduction of the a- and c-axis parameters, respectively, leading to an overall volume reduction of similar to3.3%. In this new phase, the Na and Ca atoms migrate to occupy two closely separated sites along the channels, and 80% of the OW4 water is lost with the remaining water molecules occupying a site close to the previously empty OW5 site. The material decomposes upon full dehydration near 400degreesC and becomes X-ray amorphous. The temperature-dependent variations of the T-O-T angles and the chain rotation angle are indicative of the framework relaxation occurring during the selective dehydration and subsequent cation-water migration phase transition. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. Univ Birmingham, Sch Chem, Birmingham B15 2TT, W Midlands, England. RP Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM yollee@bnl.gov RI Vogt, Thomas /A-1562-2011; Lee, Yongjae/K-6566-2016 OI Vogt, Thomas /0000-0002-4731-2787; NR 20 TC 6 Z9 6 U1 2 U2 2 PU MINERALOGICAL SOC AMER PI CHANTILLY PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA SN 0003-004X EI 1945-3027 J9 AM MINERAL JI Am. Miner. PD JAN PY 2005 VL 90 IS 1 BP 247 EP 251 DI 10.2138/am.2005.1696 PG 5 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 887PR UT WOS:000226318500028 ER PT J AU Lee, Y Hriljac, JA Parise, JB Vogt, T AF Lee, Y Hriljac, JA Parise, JB Vogt, T TI Pressure-induced stabilization of ordered paranatrolite: A new insight into the paranatrolite controversy SO AMERICAN MINERALOGIST LA English DT Article ID STRUCTURE REFINEMENT; NEUTRON-DIFFRACTION; CRYSTAL-STRUCTURES; NATROLITE; WATER; TETRANATROLITE; GONNARDITE; ZEOLITES; SODIUM; SALT AB The origin and stability of paranatrolite (approximate formula Na16-xCaxAl16+xSi24-xO80.24H(2)O), a naturally occurring zeolite with the natrolite topology, has long been debated, with its detailed structure unknown. When taken from an aqueous environment and exposed to the atmosphere, paranatrolite is reported to irreversibly lose water and transform to gonnardite/tetranatrolite, Na16-xCaxAl16+xSi24-xO80.nH(2)O. Since the latter has a disordered Al/Si distribution over the framework tetrahedral sites, it is believed the same is true for paranatrolite. Natrolite itself (Na16Al16Si24O80.16H(2)O) has Al/Si ordering, and as recently shown, undergoes a reversible volume expansion (similar to2.5%) due to pressure-induced hydration (PIH) above 1.2 GPa to a superhydrated phase (Na16Al16Si24O80.32H(2)O). During this process, an intermediate phase with an even larger volume expansion of similar to7.0% has been detected in a narrow pressure range near 1.0 GPa. We report here that this intermediate phase has a unit-cell compatible with the one reported for paranatrolite at ambient conditions with the same 24 water molecules per formula unit and propose that it is paranatrolite with an ordered Al/Si distribution. An unusual water-sodium chain is observed in the ordered paranatrolite structure: a sevenfold coordination of sodium cations provided by alternating two water bridges along the expanded elliptical channels. The density of the ordered paranatrolite is lower than those of the 16 and 32 water phases, with its channel openings far more circular than in the low- and high-pressure analogs. The atomistic details of the ordered paranatrolite provide a structural model for the naturally occurring paranatrolite and a complete understanding of this intriguing pressure-volume-hydration mechanism in natrolite, demonstrating the unique role of pressure in controlling the chemistry of microporous materials. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. Univ Birmingham, Sch Chem, Birmingham B15 2TT, W Midlands, England. SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA. RP Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM yollee@bnl.gov RI Vogt, Thomas /A-1562-2011; Lee, Yongjae/K-6566-2016 OI Vogt, Thomas /0000-0002-4731-2787; NR 26 TC 38 Z9 39 U1 0 U2 6 PU MINERALOGICAL SOC AMER PI CHANTILLY PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA SN 0003-004X EI 1945-3027 J9 AM MINERAL JI Am. Miner. PD JAN PY 2005 VL 90 IS 1 BP 252 EP 257 DI 10.2138/am.2005.1588 PG 6 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 887PR UT WOS:000226318500029 ER PT S AU Levi, DH Teplin, CW Iwaniczko, E Yan, Y Wang, TH Branz, HM AF Levi, DH Teplin, CW Iwaniczko, E Yan, Y Wang, TH Branz, HM BE Collins, RW Taylor, PC Kondo, M Carius, R Biswas, R TI Real-time spectroscopic ellipsometry as an in-situ probe of the growth dynamics of amorphous and epitaxial crystal silicon for photovoltaic applications SO Amorphous and Nanocrystalline Silicon Science and Technology-2005 SE MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS LA English DT Proceedings Paper CT Symposium on Amorphous and Nanocrystalline Silicon Science and Technology held at the 2005 MRS Spring Meeting CY MAR 28-APR 01, 2005 CL San Francisco, CA SP Mat Res Soc ID CHEMICAL-VAPOR-DEPOSITION; SOLAR-CELLS; HYDROGEN AB In this paper we report on our work using in-situ real time spectroscopic ellipsometry (RTSE) to study the dynamics of hot-wire chemical vapor deposition (HWCVD) of hydrogenated amorphous silicon (a-Si:H) and epitaxial crystal silicon (epi-Si) for photovoltaic applications. We utilize RTSE as both an in-situ diagnostic and a post-growth analysis tool for a-Si:H/crystalline silicon heterojunction (SHJ) solar cells and epi-silicon films grown by HWCVD. RTSE enables precise thickness control of the 3 to 10 nm thick layers used in the SHJ devices, as well as monitoring crystallinity and surface roughness in real time. With the assistance of in-situ RTSE feedback we have achieved a photovoltaic energy conversion efficiency of 17% on an Al-backed p-type float-zone c-Si wafer. Open-circuit voltages above 650 mV indicate excellent passivation of the c-Si surface by the a-Si:H intrinsic layer. We have used RTSE to obtain information on the degree of crystallinity and the electronic and optical properties of films as a function of deposition conditions. RTSE has indirectly indicated the persistence of a hydrogen layer at the interface between the a-Si:H layer and the crystal silicon substrate. Absorption spectra determined by RTSE have provided guidance in device optimization. We are also applying in-situ RTSE to study the dynamics of HWCVD growth of epiSi. The goal of this work is to develop low-temperature methods for growing 2-10 mu m-thick layers of c-Si on c-Si seed layers on glass for solar cell applications. This study presents unique challenges for RTSE, as perfect epitaxial growth of c-Si on a c-Si wafer would produce no change at all in the RTSE spectra. We have found that by monitoring the pseudo-dielectric function in real time during growth we gain immediate feedback on the breakdown of epi-Si growth. Post-deposition analysis of the RTSE data provides quantitative information on the percent of c-Si and a-Si versus film thickness. The RTSE analysis has been confirmed by cross sectional TEM. Based on the rapid feedback provided by RTSE we have surpassed the previous HWCVD maxiumum of 200 nm of epi-Si growth, achieving a maximum thickness of 500 nm of epi-Si. TEM analysis has shown that micron-sized areas of these films achieve 1000 nm of epi-Si thickness. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Levi, DH (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. NR 13 TC 3 Z9 3 U1 0 U2 4 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA SN 0272-9172 BN 1-55899-815-2 J9 MATER RES SOC SYMP P PY 2005 VL 862 BP 159 EP 170 PG 12 WC Crystallography; Instruments & Instrumentation; Materials Science, Multidisciplinary; Materials Science, Characterization & Testing SC Crystallography; Instruments & Instrumentation; Materials Science GA BDL67 UT WOS:000234140100023 ER PT S AU Teplin, CW Iwaniczko, E Jones, KM Reedy, R To, B Branz, HM AF Teplin, CW Iwaniczko, E Jones, KM Reedy, R To, B Branz, HM BE Collins, RW Taylor, PC Kondo, M Carius, R Biswas, R TI Silicon homoepitaxy using tantalum-filament hot-wire chemical vapor deposition SO Amorphous and Nanocrystalline Silicon Science and Technology-2005 SE MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS LA English DT Proceedings Paper CT Symposium on Amorphous and Nanocrystalline Silicon Science and Technology held at the 2005 MRS Spring Meeting CY MAR 28-APR 01, 2005 CL San Francisco, CA SP Mat Res Soc ID ION-ASSISTED DEPOSITION; LOW-TEMPERATURES; EPITAXIAL SILICON; GROWTH; SI; FILMS; SI(100) AB We have studied silicon films grown epitaxially on silicon wafers using hot-wire chemical vapor deposition (HWCVD) with a tantalum filament. Silicon films were grown on (100)-oriented hydrogen terminated silicon wafers at temperatures from 175 degrees C to 480 degrees C, using Ta filament 5 cm from the substrate to decompose pure SiH4 gas. The progression of epitaxy was monitored using real-time spectroscopic ellipsometry (RTSE). Analysis using RTSE, transmission electron microscopy (TEM), and scanning electron microscopy shows that at a characteristic thickness, h(epi) all of the films break down into a-Si:H cones. Below 380 degrees C, both kpi and the thickness of the transition to pure a-Si:H increase with increasing temperature. Above 380 degrees C, h,i was not observed to increase further but TEM images show fewer defects in the epitaxial regions. Secondary ion-mass spectrometry shows that the oxygen concentration remains nearly constant during growth (< 10(18) cm(-3)). The hydrogen concentration is found to increase substantially with film thickness from 5*10(18) to 5*10(19) cm(-3), likely due to the incorporation of hydrogen into the a-Si:H cones that grow after the breakdown of epitaxy. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Teplin, CW (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. NR 17 TC 1 Z9 1 U1 0 U2 1 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA SN 0272-9172 BN 1-55899-815-2 J9 MATER RES SOC SYMP P PY 2005 VL 862 BP 177 EP 182 PG 6 WC Crystallography; Instruments & Instrumentation; Materials Science, Multidisciplinary; Materials Science, Characterization & Testing SC Crystallography; Instruments & Instrumentation; Materials Science GA BDL67 UT WOS:000234140100025 ER PT S AU Stradins, P Young, D Branz, HM Page, M Wang, Q AF Stradins, P Young, D Branz, HM Page, M Wang, Q BE Collins, RW Taylor, PC Kondo, M Carius, R Biswas, R TI Real time monitoring of the crystallization of hydrogenated amorphous silicon SO Amorphous and Nanocrystalline Silicon Science and Technology-2005 SE MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS LA English DT Proceedings Paper CT Symposium on Amorphous and Nanocrystalline Silicon Science and Technology held at the 2005 MRS Spring Meeting CY MAR 28-APR 01, 2005 CL San Francisco, CA SP Mat Res Soc ID KINETICS; FILMS AB In-situ real-time optical reflectance spectroscopy is applied to investigate structural changes as hydrogenated amorphous silicon (a-Si:H) loses H and crystallizes at elevated temperature. The interference fringe spectrum (cutoff energy and amplitude) mainly characterize changes in the bulk. while the the crystal Si (c-Si) direct-transition ultra-violet reflectance signatures reveal the presence of any crystalline phase at the surface. Effusion of atomic hydrogen is monitored by a decrease of the interference fringe cutoff energy and is thermally activated with about 1.7 eV. In a-Si:H on glass, optical reflectance spectra are consistent with 2.8 eV activated homogeneous nucleation and growth of a small grain (similar to 100 nm) polycrystalline phase. In contrast, a-Si:H on c-Si crystallizes by solid phase epitaxy with very different spectral kinetics. Our measurements reveal the temperature-time window for thermal crystallization of a-Si:H for photovoltaic device applications, and highlight the versatility of the in-situ spectral reflectance monitoring. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Stradins, P (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. NR 10 TC 5 Z9 5 U1 0 U2 1 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA SN 0272-9172 BN 1-55899-815-2 J9 MATER RES SOC SYMP P PY 2005 VL 862 BP 227 EP 232 PG 6 WC Crystallography; Instruments & Instrumentation; Materials Science, Multidisciplinary; Materials Science, Characterization & Testing SC Crystallography; Instruments & Instrumentation; Materials Science GA BDL67 UT WOS:000234140100033 ER PT S AU Young, DL Stradins, P Iwaniczko, E To, B Reedy, B Yan, YF Branz, HM Lohr, J Alvarez, M Booske, J Marconnet, A Wang, Q AF Young, DL Stradins, P Iwaniczko, E To, B Reedy, B Yan, YF Branz, HM Lohr, J Alvarez, M Booske, J Marconnet, A Wang, Q BE Collins, RW Taylor, PC Kondo, M Carius, R Biswas, R TI Solid phase crystallization of hot-wire CVD amorphous silicon films SO Amorphous and Nanocrystalline Silicon Science and Technology-2005 SE MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS LA English DT Proceedings Paper CT Symposium on Amorphous and Nanocrystalline Silicon Science and Technology held at the 2005 MRS Spring Meeting CY MAR 28-APR 01, 2005 CL San Francisco, CA SP Mat Res Soc ID A-SI-H; CHEMICAL-VAPOR-DEPOSITION; THIN-FILMS AB We measure times for complete solid phase crystallization (SPC) of hydrogenated amorphous silicon (a-Si:H) thin films that vary eight orders of magnitude, from a few ms to a few days. The time-to-crystallization activation energy is consistent with literature values of approximately 3.4 eV but the prefactor is markedly different for hot-wire chemical vapor deposition (HWCVD) films than for plasma-enhanced (PE) CVD films. The crystallized films were 0.3-2 9 mu m thick, and deposited by high deposition rate (10-100 angstrom/s) HWCVD or standard PECVD onto glass substrates. We annealed these a-Si:H films over a wide temperature range (500 to 1100 degrees C) using techniques including simple hot-plates and tube furnaces, rapid thermal annealing by a tungsten-halogen lamp, and microwave electromagnetic heating at 2.45 GHz (magnetron) and 110 GHz (gyrotron). C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Young, DL (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. RI Marconnet, Amy/G-3623-2010 OI Marconnet, Amy/0000-0001-7506-2888 NR 14 TC 5 Z9 5 U1 0 U2 4 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA SN 0272-9172 BN 1-55899-815-2 J9 MATER RES SOC SYMP P PY 2005 VL 862 BP 233 EP 238 PG 6 WC Crystallography; Instruments & Instrumentation; Materials Science, Multidisciplinary; Materials Science, Characterization & Testing SC Crystallography; Instruments & Instrumentation; Materials Science GA BDL67 UT WOS:000234140100034 ER PT S AU Wang, TH Iwaniczko, E Page, MR Wang, Q Levi, DH Yan, Y Xu, Y Branz, HM AF Wang, TH Iwaniczko, E Page, MR Wang, Q Levi, DH Yan, Y Xu, Y Branz, HM BE Collins, RW Taylor, PC Kondo, M Carius, R Biswas, R TI High-performance amorphous silicon emitter for crystalline silicon solar cells SO Amorphous and Nanocrystalline Silicon Science and Technology-2005 SE MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS LA English DT Proceedings Paper CT Symposium on Amorphous and Nanocrystalline Silicon Science and Technology held at the 2005 MRS Spring Meeting CY MAR 28-APR 01, 2005 CL San Francisco, CA SP Mat Res Soc AB Thin hydrogenated amorphous silicon (a-Si:H) layers deposited by hot-wire chemical vapor deposition (HWCVD) are studied for use as the emitter in silicon heterojunction (SHJ) solar cells on p-type crystalline silicon wafers. Low interface recombination velocity and high open-circuit voltage are achieved by a low substrate temperature (< 150 degrees C) intrinsic a-Si:H deposition which ensures immediate amorphous silicon deposition. This is followed by deposition of n-type a-Si:H at a higher temperature (> 200 degrees C) which improves dopant activation and other properties. A prolonged atomic H pretreatment to clean the c-Si surface is actually detrimental because it creates additional defects in the c-Si lattice. However, a brief H pretreatment is beneficial and may render the intrinsic interlayer unnecessary. The n-type a-Si:H thickness must be limited to similar to 5 nm to minimize current loss, because the phosphorous doped aSi:H layer has significant absorption in the usable solar spectrum. Using the optimized a-Si:H emitter. we obtain efficiency of nearly 17% on planar float-zone (FZ) silicon and 15% on planar Czochralski (CZ) silicon substrates with aluminum back -surface-field (Al-BSF) and contacts. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Wang, TH (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. NR 6 TC 6 Z9 6 U1 0 U2 2 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA SN 0272-9172 BN 1-55899-815-2 J9 MATER RES SOC SYMP P PY 2005 VL 862 BP 413 EP 418 PG 6 WC Crystallography; Instruments & Instrumentation; Materials Science, Multidisciplinary; Materials Science, Characterization & Testing SC Crystallography; Instruments & Instrumentation; Materials Science GA BDL67 UT WOS:000234140100062 ER PT S AU Wang, Q Ward, S Duda, A Hu, JA Stradins, P Crandall, RS Branz, HM Jeffrey, F Lou, H Perlov, C Jackson, W Mei, P Taussig, C AF Wang, Q Ward, S Duda, A Hu, JA Stradins, P Crandall, RS Branz, HM Jeffrey, F Lou, H Perlov, C Jackson, W Mei, P Taussig, C BE Collins, RW Taylor, PC Kondo, M Carius, R Biswas, R TI Low temperature thin-film silicon diodes for consumer electronics SO Amorphous and Nanocrystalline Silicon Science and Technology-2005 SE MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS LA English DT Proceedings Paper CT Symposium on Amorphous and Nanocrystalline Silicon Science and Technology held at the 2005 MRS Spring Meeting CY MAR 28-APR 01, 2005 CL San Francisco, CA SP Mat Res Soc ID CURRENT-VOLTAGE CHARACTERISTICS; P-I-N; AMORPHOUS-SILICON; MEMORY; CELLS; FIELD AB We have developed high current density thin-film silicon n-i-p diodes for low cost and low temperature two-dimensional diode-logic memory array applications. The diodes are fabricated at temperatures below 250 degrees C on glass, stainless steel, and plastic substrates using hot-wire chemical vapor deposition (CVD). The 0.01-mm(2) standalone diodes have a forward current-density (J) of near 10 kA/cm(2) and a rectification ratio over 10(7) at +/- 2 V. The 25 mu m(2) array diodes have J > 10(4) A/cm(2) and rectification of 10(5) at +/- 2V. On plastic substrates, we have also used plasma-enhanced CVD to deposit 10-mu m diameter diodes with J similar to 5 x 10(4) A/cm(2). We found that the use of microcrystalline silicon (mu c-Si) i- and n- layers results in higher current-density diodes than with amorphous silicon. Reducing the diode area increases the forward current density by lowering the voltage drop across the external series resistances. A prototype diode array memory based on 10-micron devices was successfully demonstrated by monolithically integrating diodes with a-Si:H switching elements. High current density diodes have potential applications in a variety of large area, thin-film electronic devices, in addition to a-Si:H-based memory. This could widen the application of thin-film silicon beyond its present industrial applications in thin-film transistors, solar cells, bolometers and photo-detectors. C1 Natl Renewable Energy Lab, Elect Mat & Devices Div, Golden, CO 80401 USA. RP Wang, Q (reprint author), Natl Renewable Energy Lab, Elect Mat & Devices Div, 1617 Cole Blvd, Golden, CO 80401 USA. NR 14 TC 2 Z9 2 U1 0 U2 1 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA SN 0272-9172 BN 1-55899-815-2 J9 MATER RES SOC SYMP P PY 2005 VL 862 BP 709 EP 714 PG 6 WC Crystallography; Instruments & Instrumentation; Materials Science, Multidisciplinary; Materials Science, Characterization & Testing SC Crystallography; Instruments & Instrumentation; Materials Science GA BDL67 UT WOS:000234140100107 ER PT J AU Gibbons, W AF Gibbons, Whit BE Lannoo, M TI Embracing Human Diversity in Conservation SO AMPHIBIAN DECLINES: THE CONSERVATION STATUS OF UNITED STATES SPECIES LA English DT Editorial Material; Book Chapter C1 Univ Georgia, Savannah River Ecol Lab, Aiken, SC USA. RP Gibbons, W (reprint author), Univ Georgia, Savannah River Ecol Lab, Aiken, SC USA. NR 0 TC 0 Z9 2 U1 0 U2 0 PU UNIV CALIFORNIA PRESS PI BERKELEY PA 2120 BERKELEY WAY, BERKELEY, CA 94720 USA BN 978-0-520-92943-2 PY 2005 BP 15 EP 16 PG 2 WC Zoology SC Zoology GA BXA51 UT WOS:000295537400005 ER PT J AU Stevens, FJ AF Stevens, Fred J. BE Sipe, JD TI Systemic SO AMYLOID PROTEINS: THE BETA SHEET CONFORMATION AND DISEASE, VOLS 1 AND 2 LA English DT Article; Book Chapter ID IMMUNOGLOBULIN-LIGHT-CHAIN; BENCE-JONES PROTEINS; AMINO-ACID-SEQUENCE; GLYCATION END-PRODUCTS; CRYSTAL-STORING HISTIOCYTOSIS; TAMM-HORSFALL GLYCOPROTEIN; AMYLOID FIBRIL FORMATION; INTRAMOLECULAR MERCURY BRIDGE; NATURAL CATALYTIC ANTIBODIES; DIALYSIS-RELATED AMYLOIDOSIS C1 Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. RP Stevens, FJ (reprint author), Argonne Natl Lab, Biosci Div, 9700 Cass Ave, Argonne, IL 60439 USA. NR 312 TC 0 Z9 1 U1 0 U2 0 PU BLACKWELL SCIENCE PUBL PI OXFORD PA OSNEY MEAD, OXFORD OX2 0EL, ENGLAND BN 978-3-52761-934-4 PY 2005 BP 527 EP 569 DI 10.1002/9783527619344.ch20 D2 10.1002/9783527619344 PG 43 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA BXZ58 UT WOS:000297701200021 ER PT J AU Baker, GA Baker, SN Pandey, S Bright, FV AF Baker, GA Baker, SN Pandey, S Bright, FV TI An analytical view of ionic liquids SO ANALYST LA English DT Editorial Material ID POLYCYCLIC AROMATIC-HYDROCARBONS; CAPILLARY-ELECTROPHORESIS; 1-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE; CHROMATOGRAPHY; DYNAMICS; FLUORESCENCE; RELAXATION; EXTRACTION; SEPARATION; STABILITY AB Within the last decade, ionic liquids have come to the fore as environmentally-responsible designer solvents. But what are ionic liquids and what can they offer the analytical scientist? This article addresses these questions and chronicles recent progress made in the application of ionic liquids toward analytical problem-solving. While further progress is required before ionic liquids become mainstream analytical solvents, results to date commend their use in various modes of chemical analysis. It is our aim that the findings reported herein draw other researchers into this area and encourage the increased application of ionic liquids in this manner. C1 Los Alamos Natl Lab, Chem Div Struct Inorgan Chem C SIC, Los Alamos, NM 87545 USA. SUNY Buffalo, Dept Chem, Univ Buffalo, Buffalo, NY 14260 USA. Indian Inst Technol, Dept Chem, New Delhi 110016, India. RP Baker, GA (reprint author), Los Alamos Natl Lab, Chem Div Struct Inorgan Chem C SIC, MS J514, Los Alamos, NM 87545 USA. RI Baker, Gary/H-9444-2016; OI Baker, Gary/0000-0002-3052-7730; Bright, Frank/0000-0002-1500-5969 NR 36 TC 286 Z9 301 U1 5 U2 47 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0003-2654 J9 ANALYST JI Analyst PY 2005 VL 130 IS 6 BP 800 EP 808 DI 10.1039/b500865b PG 9 WC Chemistry, Analytical SC Chemistry GA 928XM UT WOS:000229305200003 PM 15912225 ER PT J AU Liu, GD Lin, YH Tu, Y Ren, ZF AF Liu, GD Lin, YH Tu, Y Ren, ZF TI Ultrasensitive voltammetric detection of trace heavy metal ions using carbon nanotube nanoelectrode array SO ANALYST LA English DT Article ID ELECTRODES; FABRICATION; FILM AB We describe an ultrasensitive voltammetric detection of trace heavy metal ions using nanoelectrode arrays (NEAs) that are based on low-site density carbon nanotubes (CNTs). The NEAs were prepared by sealing the side-walls of CNTs with an epoxy passive layer that reduces the current leakage and eliminates the electrode capacitance, leading to a low background current. This provides a high signal-to-noise ratio. The CNTs-NEAs coated with a bismuth film were used successfully for voltammetric detection of trace cadmium(II) and lead(II) at the sub-ppb level. The detection limit of 0.04 mu g L-1 was obtained under optimum experimental conditions. The attractive behavior of the new carbon NEA sensing platform holds great promise for onsite environmental monitoring and biomonitoring of toxic metals. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Boston Coll, Chestnut Hill, MA 02467 USA. RP Lin, YH (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM Yuehe.Lin@pnl.gov RI Lin, Yuehe/D-9762-2011; Ren, Zhifeng/B-4275-2014 OI Lin, Yuehe/0000-0003-3791-7587; FU NIEHS NIH HHS [1R01 ES010976-01A2] NR 20 TC 77 Z9 81 U1 7 U2 48 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0003-2654 J9 ANALYST JI Analyst PY 2005 VL 130 IS 7 BP 1098 EP 1101 DI 10.1039/b419447k PG 4 WC Chemistry, Analytical SC Chemistry GA 936ND UT WOS:000229861800019 PM 15965535 ER PT J AU Gu, S Chen, X AF Gu, S Chen, X TI Precise proteomic identification using mass spectrometry coupled with stable isotope labeling SO ANALYST LA English DT Article ID EFFICIENT PROTEIN IDENTIFICATION; N-GLYCOSYLATION SITES; AMINO-ACIDS; SELECTIVE INCORPORATION; QUANTITATIVE-ANALYSIS; COMPLEX-MIXTURES; AFFINITY TAGS; PEPTIDE; O-18; GLYCOPROTEINS AB Stable isotope labeling (SIL) can assist mass spectrometry to improve its specificity and throughput in protein identification, de novo sequencing, and characterization of post translational modifications. This Education article summarizes the unique characteristics of stable isotope-assisted mass spectrometry for accurate protein identification without requirements for ultrahigh mass accuracy. Some applications are discussed here to demonstrate the general experimental procedures, data interpretation, and the improvements in accuracy and throughput compared to the use of mass spectrometry alone. C1 Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Chen, X (reprint author), Los Alamos Natl Lab, Biosci Div, MS M888, Los Alamos, NM 87545 USA. EM chen_xian@lanl.gov NR 37 TC 6 Z9 6 U1 0 U2 1 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0003-2654 J9 ANALYST JI Analyst PY 2005 VL 130 IS 9 BP 1225 EP 1231 DI 10.1039/b503916a PG 7 WC Chemistry, Analytical SC Chemistry GA 954QT UT WOS:000231170300001 PM 16096666 ER PT J AU Lu, F Wang, KH Lin, YH AF Lu, F Wang, KH Lin, YH TI Rapid, quantitative and sensitive immunochromatographic assay based on stripping voltammetric detection of a metal ion label SO ANALYST LA English DT Article ID IMMUNOASSAY; ANTIBODIES AB A novel, sensitive immunochromatographic electrochemical biosensor (IEB) which combines an immunochromatographic strip technique with an electrochemical detection technique has been demonstrated. The IEB takes advantages of the speed and low-cost of the conventional immunochromatographic test kits and high-sensitivity of stripping voltammetry. Bismuth ions (Bi3+) have been coupled with the antibody through the bifunctional chelating agent diethylenetriamine pentaacetic acid (DTPA). After immunoreactions, Bi3+ was released and quantified by anodic stripping voltammetry at a built-in single-use screen-printed electrode. As an example for the applications of such novel device, the detection of human chorionic gonadotronphin (HCG) in a specimen was performed. This biosensor provides a more user-friendly, rapid, clinically accurate, less expensive immunoassay for such analysis in specimens than currently available test kits. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. InTec Sci Inc, Brisbane, CA 94005 USA. RP Lin, YH (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM Yuehe.Lin@pnl.gov RI Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 NR 11 TC 26 Z9 27 U1 1 U2 8 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0003-2654 J9 ANALYST JI Analyst PY 2005 VL 130 IS 11 BP 1513 EP 1517 DI 10.1039/b507682j PG 5 WC Chemistry, Analytical SC Chemistry GA 973DC UT WOS:000232502100010 PM 16222373 ER PT J AU Ji, HF Zhang, YF Purushotham, VV Kondu, S Ramachandran, B Thundat, T Haynie, DT AF Ji, HF Zhang, YF Purushotham, VV Kondu, S Ramachandran, B Thundat, T Haynie, DT TI 1,6-Hexanedithiol monolayer as a receptor for specific recognition of alkylmercury SO ANALYST LA English DT Article ID SELF-ASSEMBLED MONOLAYERS; AU(111); FILMS AB 1,6-Hexanedithiol monolayer acts as an unusually specific recognition agent for CH3Hg+ when the microcantilever is used as the transducer; the mechanism of the sensor is discussed. C1 Louisiana Tech Univ, Inst Micromfg, Ruston, LA 71272 USA. Oak Ridge Natl Lab, Div Life Sci, Oak Ridge, TN 37830 USA. RP Ji, HF (reprint author), Louisiana Tech Univ, Inst Micromfg, Ruston, LA 71272 USA. EM hji@chem.latech.edu OI Ramachandran, Bala/0000-0002-5179-5750 NR 17 TC 16 Z9 18 U1 1 U2 3 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0003-2654 J9 ANALYST JI Analyst PY 2005 VL 130 IS 12 BP 1577 EP 1579 DI 10.1039/b513144h PG 3 WC Chemistry, Analytical SC Chemistry GA 983PD UT WOS:000233243700002 PM 16284654 ER PT J AU Foote, RS Khandurina, J Jacobson, SC Ramsey, JM AF Foote, RS Khandurina, J Jacobson, SC Ramsey, JM TI Preconcentration of proteins on microfluidic devices using porous silica membranes SO ANALYTICAL CHEMISTRY LA English DT Article ID SOLID-PHASE EXTRACTION; CAPILLARY-ELECTROPHORESIS; SAMPLE STACKING; MICROCHIP; SEPARATION AB Fluorescently labeled proteins were electrophoretically concentrated on microfabricated devices prior to separation and laser-induced fluorescence detection on the same device. The proteins were concentrated using a porous silica membrane between adjacent microchannels that allowed the passage of buffer ions but excluded larger migrating molecules. Concentrated analytes were then injected into the separation column for analysis. Two basic microchip designs were tested that allowed sample concentration either directly in the sample injector loop or within the microchannel leading from the sample reservoir to the injector. Signal enhancements of similar to600-fold were achieved by on-chip preconcentration followed by SDS-CGE separation. Preconcentration for CE analysis in both coated and uncoated open channels was also demonstrated. Fluorescently labeled ovalbumin could be detected at initial concentrations as low as 100 fM by using a combination of field-amplified injection and preconcentration at a membrane prior to CE in coated channels. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Foote, RS (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM footers@ornl.gov NR 22 TC 157 Z9 160 U1 3 U2 37 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD JAN 1 PY 2005 VL 77 IS 1 BP 57 EP 63 DI 10.1021/ac049136w PG 7 WC Chemistry, Analytical SC Chemistry GA 885XS UT WOS:000226191200015 PM 15623278 ER PT J AU Kim, HJ Guiochon, G AF Kim, HJ Guiochon, G TI Comparison of the thermodynamic properties of particulate and monolithic columns of molecularly imprinted copolymers SO ANALYTICAL CHEMISTRY LA English DT Article ID ADSORPTION ENERGY-DISTRIBUTIONS; EXPECTATION-MAXIMIZATION METHOD; STATIONARY PHASES; AFFINITY DISTRIBUTIONS; LIQUID-CHROMATOGRAPHY; 2 ENANTIOMERS; POLYMERS; ISOTHERM; POLYMERIZATION; HETEROGENEITY AB A variety of polymerization techniques can be used to prepare molecularly imprinted copolymers (MIPs) for the purpose of the separation of enantiomers by HPLC. Unfortunately, the lack of thermodynamic and kinetic data characterizing the imprinted polymers prepared by these different techniques prevents the rational choice of the one most suited for a specific application. We investigated and compared the thermodynamic properties of copolymers imprinted for Fmoc-L-tryptophan and prepared by two different methods. The first was an in situ polymerization method that gives monolithic columns (monolithic MIPs), the second, a traditional method giving bulk MIPs. Examination of the thermodynamic properties on these two different MIPs showed that three types of binding sites coexist on their surface. The highest energy sites adsorb only the imprinted molecule or template. Most of the intermediate energy sites adsorb both the template and its antipode, although part of them may adsorb only the template. Finally, the lowest energy sites provide nonselective interactions of both the template and its antipode. On the nonimprinted copolymer, there are only two types of sites. The high-energy sites have a slightly lower energy that the intermediate sites of the MIPs, and the low-energy sites have properties close to those of the lowest energy sites on the MIPs. The monolithic MIPs have fewer nonselective sites than the bulk MIPs. However, the polar porogen that is needed to prepare the monolithic MIPs negatively affects the enantiomeric separation. C1 Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Guiochon, G (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. EM guiochon@utk.edu NR 26 TC 52 Z9 56 U1 1 U2 6 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD JAN 1 PY 2005 VL 77 IS 1 BP 93 EP 102 DI 10.1021/ac0401218 PG 10 WC Chemistry, Analytical SC Chemistry GA 885XS UT WOS:000226191200020 PM 15623283 ER PT J AU Hindson, BJ McBride, MT Makarewicz, AJ Henderer, BD Setlur, US Smith, SM Gutierrez, DM Metz, TR Nasarabadi, SL Venkateswaran, KS Farrow, SW Colston, BW Dzenitis, JM AF Hindson, BJ McBride, MT Makarewicz, AJ Henderer, BD Setlur, US Smith, SM Gutierrez, DM Metz, TR Nasarabadi, SL Venkateswaran, KS Farrow, SW Colston, BW Dzenitis, JM TI Autonomous detection of aerosolized biological agents by multiplexed immunoassay with polymerase chain reaction confirmation SO ANALYTICAL CHEMISTRY LA English DT Article AB The autonomous pathogen detection system (APDS) is an automated, podium-sized instrument that continuously monitors the air for biological threat agents (bacteria, viruses, and toxins). The system has been developed to warn of a biological attack in critical or high-traffic facilities and at special events. The APDS performs continuous aerosol collection, sample preparation, and detection using multiplexed immunoassay followed by confirmatory PCR using real-time TaqMan assays. We have integrated completely reusable flow-through devices that perform DNA extraction and PCR amplification. The fully integrated system was challenged with aerosolized Bacillus anthracis, Yersinia pestis, Bacillus globigii, and botulinum toxoid. By coupling highly selective antibody and DNA-based assays, the probability of an APDS reporting a false positive is extremely low. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. USA, W Desert Test Ctr, Dugway Proving Grounds, Dugway, UT 84022 USA. RP Dzenitis, JM (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave,POB 808, Livermore, CA 94550 USA. EM john.m.dzenitis@llnl.gov NR 8 TC 51 Z9 52 U1 0 U2 6 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD JAN 1 PY 2005 VL 77 IS 1 BP 284 EP 289 DI 10.1021/ac0489014 PG 6 WC Chemistry, Analytical SC Chemistry GA 885XS UT WOS:000226191200044 PM 15623307 ER PT J AU Campbell, JA Timchalk, C Kousba, AA Wu, H Valenzuela, BR Hoppe, EW AF Campbell, JA Timchalk, C Kousba, AA Wu, H Valenzuela, BR Hoppe, EW TI Negative ion chemical ionization mass spectrometry for the analysis of 3,5,6-trichloro-2-pyridinol in saliva of rats exposed to chlorpyrifos SO ANALYTICAL LETTERS LA English DT Article DE chlorpyrifos; 3,5,6-trichloro-2-pyridinol; biomonitoring; saliva; negative ion chemical ionization mass spectrometry; derivatization; gas chromatography; organophosphate insecticides; biological matrices; biomarkers; metabolites ID OCCUPATIONAL EXPOSURE; PLASMA-CONCENTRATION; TOXIC METALS; PESTICIDES; ABSORPTION; PARATHION; EXCRETION; ATRAZINE; CHILDREN; WORKERS AB Organophosphorus (OP) insecticides ( e. g. chlorpyrifos) are widely used in a variety of applications, and the potential exists for significant occupational and environmental exposures. They have been associated with more occupational poisoning cases than any other class of insecticides. One of the best approaches for accurately assessing human dosimetry and determining risk from both occupational and environmental exposure is biomonitoring. Biological matrices such as blood and urine have been routinely used for biomonitoring; however, other matrices such as saliva represent a simple and readily obtainable fluid. As a result, saliva has been suggested as an alternative biological matrix for the evaluation of a broad range of biomarkers such as environmental contaminants, drugs of abuse, hormones, chemotherapeutics, heavy metals, and pesticides. Chlorpyrifos (CPF), and its major metabolite, 3,5,6-trichloro-2-pyridinol (TCP), have been quantified in urine and blood as a biomarker for exposure to OP insecticides. The purpose of this study was to develop an analytical approach for detecting and quantitating the levels of TCP in saliva obtained from rats exposed to CPF and to evaluate the potential of saliva as a noninvasive biomonitoring matrix for the determination of exposure to OP insecticides. Adult male rats were administered CPF, and blood and saliva were humanely collected for analysis of TCP and CPF. The TCP was detected and quantitated in saliva using negative ion chemical ionization mass spectrometry with selected ion monitoring. Initial results indicate that saliva potentially may be utilized as a noninvasive biomonitoring matrix to determine exposure to organophosphate insecticides. C1 Battelle Mem Inst, Pacific NW Div, Richland, WA 99352 USA. RP Campbell, JA (reprint author), Battelle Mem Inst, Pacific NW Div, Richland, WA 99352 USA. EM james.campbell@pnl.gov NR 33 TC 6 Z9 6 U1 2 U2 5 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0003-2719 J9 ANAL LETT JI Anal. Lett. PY 2005 VL 38 IS 6 BP 939 EP 949 DI 10.1081/AL-200054056 PG 11 WC Chemistry, Analytical SC Chemistry GA 923BO UT WOS:000228883900004 ER PT J AU Kesanli, B Cui, Y Smith, MR Bittner, EW Bockrath, BC Lin, WB AF Kesanli, B Cui, Y Smith, MR Bittner, EW Bockrath, BC Lin, WB TI Highly interpenetrated metal-organic frameworks for hydrogen storage SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE coordination networks; crystal engineering; functional materials; hydrogen storage; zinc ID SECONDARY BUILDING UNITS; COORDINATION POLYMERS; RATIONAL DESIGN; NETWORKS; SOLIDS C1 Univ N Carolina, Dept Chem, Chapel Hill, NC 27599 USA. US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Lin, WB (reprint author), Univ N Carolina, Dept Chem, CB 3290, Chapel Hill, NC 27599 USA. EM wlin@unc.edu RI Lin, Wenbin/B-4151-2010; Cui, Yi/L-5804-2013 OI Lin, Wenbin/0000-0001-7035-7759; Cui, Yi/0000-0002-6103-6352 NR 21 TC 545 Z9 550 U1 8 U2 74 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 1 BP 72 EP 75 DI 10.1002/anie.200461214 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 883KO UT WOS:000226010500006 PM 15599893 ER PT J AU Pan, ZW Dai, S Rouleau, CM Lowndes, DH AF Pan, ZW Dai, S Rouleau, CM Lowndes, DH TI Germanium-catalyzed growth of zinc oxide nanowires: A semiconductor catalyst for nanowire synthesis SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE catalyst; germanium; nanostructures; semiconductors ID CHEMICAL-VAPOR-DEPOSITION; LOW-TEMPERATURE GROWTH; ALIGNED ZNO NANORODS; PHOTOLUMINESCENCE PROPERTIES; EMISSION; COPPER C1 Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Lowndes, DH (reprint author), Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. EM lowndesdh@ornl.gov RI Rouleau, Christopher/Q-2737-2015; Dai, Sheng/K-8411-2015; OI Rouleau, Christopher/0000-0002-5488-3537; Dai, Sheng/0000-0002-8046-3931; Pan, Zhengwei/0000-0002-3854-958X NR 26 TC 55 Z9 57 U1 3 U2 18 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 2 BP 274 EP 278 DI 10.1002/anie.200460043 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 884ST UT WOS:000226107200015 ER PT J AU Huynh, MHV Hiskey, MA Archuleta, JG Roemer, EL AF Huynh, MHV Hiskey, MA Archuleta, JG Roemer, EL TI Preparation of nitrogen-rich nanolayered, nanoclustered, and nanodendritic carbon nitrides SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE azides; carbon; nanostructures; nitrides; nitrogen ID MESOPHASE PITCH; CELL ATTACHMENT; S-TRIAZINE; FILMS; DEPOSITION; PRECURSOR; COATINGS; FIBER C1 Los Alamos Natl Lab, Dynam Expt Div, Mat Dynam Grp, DX2, Los Alamos, NM 87545 USA. RP Huynh, MHV (reprint author), Los Alamos Natl Lab, Dynam Expt Div, Mat Dynam Grp, DX2, POB 1663, Los Alamos, NM 87545 USA. EM huynh@lanl.gov; hiskey@lanl.gov NR 26 TC 72 Z9 79 U1 2 U2 19 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 5 BP 737 EP 739 DI 10.1002/anie.200461758 PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 893IE UT WOS:000226711700010 PM 15612069 ER PT J AU Kogerler, P Cronin, L AF Kogerler, P Cronin, L TI Polyoxometalate nanostructures, superclusters, and colloids: From functional clusters to chemical aesthetics SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Editorial Material ID MOLYBDENUM-BLUE; WHEEL C1 Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. Univ Glasgow, Dept Chem, Glasgow G12 8QQ, Lanark, Scotland. RP Kogerler, P (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM kogerler@ameslab.gov; L.Cronin@chem.gla.ac.uk RI Cronin, Leroy/B-7752-2008; Kogerler, Paul/H-5866-2013 OI Cronin, Leroy/0000-0001-8035-5757; Kogerler, Paul/0000-0001-7831-3953 NR 11 TC 122 Z9 122 U1 2 U2 9 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 6 BP 844 EP 846 DI 10.1002/anie.200462662 PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 894XW UT WOS:000226825900001 ER PT J AU Huh, S Chen, HT Wiench, JW Pruski, M Lin, VSY AF Huh, S Chen, HT Wiench, JW Pruski, M Lin, VSY TI Cooperative catalysis by general acid and base bifunctionalized mesoporous silica nanospheres SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE cooperative phenomena; heterogeneous catalysis; mesoporous materials; organic-inorganic hybrid composites; silicon ID CARBONYL-COMPOUNDS; CONDENSATION; MORPHOLOGY C1 Iowa State Univ, Dept Chem, Ames, IA 50011 USA. Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. RP Lin, VSY (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM vsylin@iastate.edu RI HUH, SEONG/E-5192-2011; OI Huh, Seong/0000-0001-7894-8422 NR 18 TC 221 Z9 224 U1 1 U2 59 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 12 BP 1826 EP 1830 DI 10.1002/anie.200462424 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 908CT UT WOS:000227765600011 PM 15712306 ER PT J AU Zhang, JL Vukmirovic, MB Xu, Y Mavrikakis, M Adzic, RR AF Zhang, JL Vukmirovic, MB Xu, Y Mavrikakis, M Adzic, RR TI Controlling the catalytic activity of platinum-monolayer electrocatalysts for oxygen reduction with different substrates SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE density functional calculations; electrochemistry; heterogeneous catalysis; oxygen reduction; surface chemistry ID DENSITY-FUNCTIONAL THEORY; BIMETALLIC SURFACES; CHEMICAL-PROPERTIES; METAL-SURFACES; O-2 REDUCTION; FUEL-CELLS; ADSORPTION; OXIDATION; CO; NANOPARTICLES C1 Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA. RP Mavrikakis, M (reprint author), Brookhaven Natl Lab, Dept Mat Sci, Bldg 555, Upton, NY 11973 USA. EM manos@engr.wisc.edu; adzic@bnl.gov RI Xu, Ye/B-5447-2009; Mavrikakis, Manos/D-5702-2012 OI Xu, Ye/0000-0002-6406-7832; Mavrikakis, Manos/0000-0002-5293-5356 NR 36 TC 645 Z9 653 U1 40 U2 294 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 14 BP 2132 EP 2135 DI 10.1002/anie.200462335 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 913FS UT WOS:000228137600020 PM 15714453 ER PT J AU Burns, PC Kubatko, KA Sigmon, G Fryer, BJ Gagnon, JE Antonio, MR Soderholm, L AF Burns, PC Kubatko, KA Sigmon, G Fryer, BJ Gagnon, JE Antonio, MR Soderholm, L TI Actinyl peroxide nanospheres SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE actinides; peroxides; polyoxometalates; self-assembly; uranium ID HEXAVALENT URANIUM; HYDROGEN-PEROXIDE; CRYSTAL-CHEMISTRY; POLYOXOMETALATE; OXIDATION; TUNGSTEN; IRON; C-60 C1 Univ Notre Dame, Dept Civil Engn & Geol Sci, Notre Dame, IN 46556 USA. Univ Windsor, Great Lakes Inst Environm Res, Windsor, ON N9B 3P4, Canada. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Burns, PC (reprint author), Univ Notre Dame, Dept Civil Engn & Geol Sci, 156 Fitzpatrick Hall, Notre Dame, IN 46556 USA. EM pburns@nd.edu RI Burns, Peter/J-3359-2013; OI Antonio, Mark/0000-0002-1208-4534; Burns, Peter/0000-0002-2319-9628 NR 24 TC 152 Z9 153 U1 7 U2 72 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 14 BP 2135 EP 2139 DI 10.1002/anie.200462445 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 913FS UT WOS:000228137600021 PM 15782385 ER PT J AU Keizer, TS Scott, BL Sauer, NN McCleskey, TM AF Keizer, TS Scott, BL Sauer, NN McCleskey, TM TI Stable, soluble beryllium aluminum citrate complexes inspired by the emerald mineral structure SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE aluminum; beryllium; bioinorganic chemistry; citrate; phosphates ID AQUEOUS-SOLUTION; COORDINATION CHEMISTRY; DISEASE C1 Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP McCleskey, TM (reprint author), Los Alamos Natl Lab, Div Chem, C-SIC,Mail Stop J514, Los Alamos, NM 87545 USA. EM tmark@lanl.gov RI McCleskey, Thomas/J-4772-2012; Scott, Brian/D-8995-2017; OI Scott, Brian/0000-0003-0468-5396; Mccleskey, Thomas/0000-0003-3750-3245 NR 18 TC 7 Z9 8 U1 2 U2 5 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 16 BP 2403 EP 2406 DI 10.1002/anie.200462531 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 920SA UT WOS:000228709200022 PM 15761894 ER PT J AU Russell, JT Lin, Y Boker, A Su, L Carl, P Zettl, H He, JB Sill, K Tangirala, R Emrick, T Littrell, K Thiyagarajan, P Cookson, D Fery, A Wang, Q Russell, TP AF Russell, JT Lin, Y Boker, A Su, L Carl, P Zettl, H He, JB Sill, K Tangirala, R Emrick, T Littrell, K Thiyagarajan, P Cookson, D Fery, A Wang, Q Russell, TP TI Self-assembly and cross-linking of bionanoparticles at liquid-liquid interfaces SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE bionanoparticles; interfaces; membranes; self-assembly; viruses ID ATOMIC-FORCE MICROSCOPE; COWPEA MOSAIC-VIRUS; SUPRAMOLECULAR BUILDING-BLOCKS; COLLOIDAL PARTICLES; 2D CRYSTALLIZATION; EMULSIONS; CALIBRATION; PROTEINS; CRYSTAL; ARRAY C1 Univ S Carolina, Dept Chem & Biochem, Columbia, SC 29208 USA. Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. Williston Northampton Sch, Easthampton, MA 01027 USA. Univ Bayreuth, Lehrstuhl Phys Chem 2, D-95440 Bayreuth, Germany. MPI Kolloid & Grenzflachenforsch, D-14424 Potsdam, Germany. Argonne Natl Lab, Argonne, IL 60439 USA. Australian Synchrotron Res Program, Argonne, IL 60439 USA. RP Wang, Q (reprint author), Univ S Carolina, Dept Chem & Biochem, Columbia, SC 29208 USA. EM wang@mail.chem.sc.edu; russell@mail.pse.umass.edu RI Boker, Alexander/C-2055-2009; He, Jinbo/B-1445-2010; Lin, Yao/E-5527-2011; Fery, Andreas/E-3673-2014; Littrell, Kenneth/D-2106-2013; OI Boker, Alexander/0000-0002-5760-6631; Lin, Yao/0000-0001-5227-2663; Littrell, Kenneth/0000-0003-2308-8618; Sill, Kevin/0000-0001-9797-7392; Wang, Qian/0000-0002-2149-384X NR 46 TC 170 Z9 170 U1 6 U2 82 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 16 BP 2420 EP 2426 DI 10.1002/anie.200462653 PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 920SA UT WOS:000228709200027 PM 15806611 ER PT J AU Custelcean, R Delmau, LH Moyer, BA Sessler, JL Cho, WS Gross, D Bates, GW Brooks, SJ Light, ME Gale, PA AF Custelcean, R Delmau, LH Moyer, BA Sessler, JL Cho, WS Gross, D Bates, GW Brooks, SJ Light, ME Gale, PA TI Calix[4]pyrrole: An old yet new ion-pair receptor SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE calix compounds; crystal engineering; hydrogen bonds; ion pairs; supramolecular chemistry ID CATION-BINDING; ACID SUBUNITS; RECOGNITION; ANIONS; COMPLEXATION; ALKALI; EXTRACTION; CESIUM; HALIDE C1 Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. Univ Texas, Inst Cell & Mol Biol, Dept Chem & Biochem, Austin, TX 78712 USA. Univ Southampton, Sch Chem, Southampton SO17 1WD, Hants, England. RP Moyer, BA (reprint author), Oak Ridge Natl Lab, Div Chem Sci, POB 2008, Oak Ridge, TN 37831 USA. EM moyerba@ornl.gov; sessler@mail.utexas.edu; philip.gale@soton.ac.uk RI Solominow, Sonia/A-4021-2008; Custelcean, Radu/C-1037-2009; Light, Mark/B-6555-2009; Gross, Dustin/B-4249-2011; Gale, Philip/A-7252-2008; Moyer, Bruce/L-2744-2016 OI Custelcean, Radu/0000-0002-0727-7972; Light, Mark/0000-0002-0585-0843; Gross, Dustin/0000-0001-8668-3380; Gale, Philip/0000-0001-9751-4910; Moyer, Bruce/0000-0001-7484-6277 NR 35 TC 199 Z9 199 U1 3 U2 30 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 17 BP 2537 EP 2542 DI 10.1002/anie.200462945 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 922WY UT WOS:000228871800013 PM 15846831 ER PT J AU Chen, P Greenberg, B Taghavi, S Romano, C van der Lelie, D He, CA AF Chen, P Greenberg, B Taghavi, S Romano, C van der Lelie, D He, CA TI An exceptionally selective lead(II)-regulatory protein from Ralstonia metallidurans: Development of a fluorescent lead(II) probe SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE fluorescent probes; lead; PbrR; regulatory proteins; sensors ID METAL-ION SENSORS; COORDINATION CHEMISTRY; BIOLOGICAL CHEMISTRY; INTRACELLULAR ZINC; MERR FAMILY; DNA; BIOSENSOR; DESIGN; 2-AMINOPURINE; TRANSCRIPTION C1 Univ Chicago, Dept Chem, Chicago, IL 60637 USA. Brookhaven Natl Lab, Biol Dept, Upton, NY 11973 USA. RP He, CA (reprint author), Univ Chicago, Dept Chem, 5735 S Ellis Ave, Chicago, IL 60637 USA. EM chuanhe@uchicago.edu NR 45 TC 109 Z9 111 U1 1 U2 19 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 18 BP 2715 EP 2719 DI 10.1002/anie.200462443 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 924CZ UT WOS:000228957600011 PM 15800869 ER PT J AU Long, DL Abbas, H Kogerler, P Cronin, L AF Long, DL Abbas, H Kogerler, P Cronin, L TI Confined electron-transfer reactions within a molecular metal oxide "Trojan horse" SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE electron transfer; polyoxometalates; rearrangement; sulfur; tungsten ID BUILDING-BLOCKS; ANION; 18-MOLYBDOPYROPHOSPHATE; COMPLEXES; OXIDATION; CLUSTERS C1 Univ Glasgow, Dept Chem, Glasgow G12 8QQ, Lanark, Scotland. Iowa State Univ Sci & Technol, Ames Lab, Ames, IA 50011 USA. Iowa State Univ Sci & Technol, Dept Phys & Astron, Ames, IA 50011 USA. RP Cronin, L (reprint author), Univ Glasgow, Dept Chem, Glasgow G12 8QQ, Lanark, Scotland. EM L.Cronin@chem.gla.ac.uk RI Cronin, Leroy/B-7752-2008; Long, Deliang/C-3500-2011; Kogerler, Paul/H-5866-2013 OI Cronin, Leroy/0000-0001-8035-5757; Kogerler, Paul/0000-0001-7831-3953 NR 26 TC 101 Z9 102 U1 1 U2 16 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 22 BP 3415 EP 3419 DI 10.1002/anie.200500541 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 932JD UT WOS:000229549100009 PM 15880707 ER PT J AU Gutowska, A Li, LY Shin, YS Wang, CMM Li, XHS Linehan, JC Smith, RS Kay, BD Schmid, B Shaw, W Gutowski, M Autrey, T AF Gutowska, A Li, LY Shin, YS Wang, CMM Li, XHS Linehan, JC Smith, RS Kay, BD Schmid, B Shaw, W Gutowski, M Autrey, T TI Nanoscaffold mediates hydrogen release and the reactivity of ammonia borane SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE hydrogen storage; kinetics; mesoporous materials; nanostructures; thermochemistry ID N-H COMPOUNDS; THERMAL-DECOMPOSITION; MESOPOROUS SILICA; CARBON NANOTUBES; STORAGE; COPOLYMER; TRIBLOCK; HYDRIDES; SIZE C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Univ Oregon, Dept Chem, Eugene, OR 97403 USA. William R Wiley Environm Mol Sci Lab, Interfacial & Nano Sci Facil, Richland, WA USA. RP Autrey, T (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM tom.autrey@pnl.gov RI Smith, Scott/G-2310-2015 OI Smith, Scott/0000-0002-7145-1963 NR 30 TC 550 Z9 560 U1 9 U2 138 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 23 BP 3578 EP 3582 DI 10.1002/anie.200462602 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 934KT UT WOS:000229708400017 PM 15880751 ER PT J AU Tang, RK Darragh, M Orme, CA Guan, XY Hoyer, JR Nancollas, GH AF Tang, RK Darragh, M Orme, CA Guan, XY Hoyer, JR Nancollas, GH TI Control of biomineralization dynamics by interfacial energies SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article ID CRYSTALLIZATION; CITRATE; MODEL C1 SUNY Buffalo, Univ Buffalo, Dept Chem, Buffalo, NY 14260 USA. Zhejiang Univ, Dept Chem, Hangzhou 310027, Peoples R China. Lawrence Livermore Natl Lab, Dept Chem & Mat Sci, Livermore, CA 94551 USA. Univ Penn, Sch Med, Childrens Hosp Philadelphia, Philadelphia, PA 19104 USA. RP Nancollas, GH (reprint author), SUNY Buffalo, Univ Buffalo, Dept Chem, Buffalo, NY 14260 USA. EM ghn@buffalo.edu RI Orme, Christine/A-4109-2009; GUAN, XIANGYING/F-4646-2010 FU NIDCR NIH HHS [DE03223] NR 23 TC 51 Z9 54 U1 2 U2 23 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 24 BP 3698 EP 3702 DI 10.1002/anie.200500153 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 937IQ UT WOS:000229918200006 PM 15880538 ER PT J AU Muller, A Todea, AM van Slageren, J Dressel, M Bogge, H Schmidtmann, M Luban, M Engelhardt, L Rusu, M AF Muller, A Todea, AM van Slageren, J Dressel, M Bogge, H Schmidtmann, M Luban, M Engelhardt, L Rusu, M TI Triangular geometrical and magnetic motifs uniquely linked on a spherical capsule surface SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE magnetochemistry; mixed-valence compounds; molybdenum; polyoxometalates; vanadium ID BUILDING-BLOCKS; GIANT; KEPLERATE; DISPOSITION; CHEMISTRY; CLUSTERS; TOPOLOGY; SPHERES C1 Univ Bielefeld, Fak Chem, Lehrstuhl Anorgan Chem 1, D-33501 Bielefeld, Germany. Univ Stuttgart, Inst Phys 1, D-70550 Stuttgart, Germany. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. Univ Babes Bolyai, Fac Chem, R-3400 Cluj Napoca, Romania. RP Muller, A (reprint author), Univ Bielefeld, Fak Chem, Lehrstuhl Anorgan Chem 1, Postfach 100131, D-33501 Bielefeld, Germany. EM a.mueller@uni-bielefeld.de RI Dressel, Martin/D-3244-2012; OI Muller, Achim/0000-0003-0117-4021 NR 31 TC 90 Z9 90 U1 1 U2 17 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 25 BP 3857 EP 3861 DI 10.1002/anie.200500697 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 939UB UT WOS:000230096800010 PM 15915530 ER PT J AU Wang, XB Woo, HK Kiran, B Wang, LS AF Wang, XB Woo, HK Kiran, B Wang, LS TI Observation of weak C-H center dot center dot center dot O hydrogen bonding to unactivated alkanes SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE alkanes; conformation analysis; density functional calculations; hydrogen bonds; photoelectron spectroscopy ID PHOTOELECTRON-SPECTROSCOPY; CRYSTALLOGRAPHIC EVIDENCE; ION-TRAP; ANIONS; H...O; PHOTODETACHMENT; CRYSTALS; ORIGIN C1 Washington State Univ, Dept Phys, Richland, WA 99352 USA. Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. RP Wang, LS (reprint author), Washington State Univ, Dept Phys, 2710 Univ Dr, Richland, WA 99352 USA. EM ls.wang@pnl.gov NR 41 TC 46 Z9 46 U1 1 U2 9 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 31 BP 4968 EP 4972 DI 10.1002/anie.200501349 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 954WG UT WOS:000231185400030 PM 16003814 ER PT J AU Giri, S Trewyn, BG Stellmaker, MP Lin, VSY AF Giri, S Trewyn, BG Stellmaker, MP Lin, VSY TI Stimuli-responsive controlled-release delivery system based on mesoporous silica nanorods capped with magnetic nanoparticles SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE drug delivery; fluorescence; magnetic properties; mesoporous materials; nanostructures ID DRUG-DELIVERY; IN-VITRO; SUPERPARAMAGNETIC NANOPARTICLES; ORGANIC FUNCTIONALIZATION; BIOMEDICAL APPLICATIONS; GENE DELIVERY; IRON-OXIDES; MCM-41; MOLECULES; CELLS C1 Iowa State Univ, Dept Chem, Ames, IA 50011 USA. Iowa State Univ, US DOE Ames Lab, Ames, IA 50011 USA. RP Lin, VSY (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM vsylin@iastate.edu NR 49 TC 643 Z9 654 U1 22 U2 320 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 32 BP 5038 EP 5044 DI 10.1002/anie.200501819 PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 957JY UT WOS:000231367300007 PM 16038000 ER PT J AU Wang, XB Dai, B Woo, HK Wang, LS AF Wang, XB Dai, B Woo, HK Wang, LS TI Intramolecular rotation through proton transfer: [Fe(eta(5)-C5H4CO2-)(2)] versus [(eta(5)-C5H4CO2-)Fe(eta(5)-C5H4CO2H)] SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE anions; cyclopentadienyl ligands; iron; photoelectron spectroscopy; protonation ID MULTIPLY-CHARGED ANIONS; PHOTODETACHMENT PHOTOELECTRON-SPECTROSCOPY; ELECTRONIC-STRUCTURE; MOLECULAR SHUTTLE; ROTARY MOTION; GAS-PHASE; SPECTRA; FE(C5H5)2; FERROCENE; ROTAXANE C1 Washington State Univ, Dept Phys, Richland, WA 99352 USA. Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. RP Wang, LS (reprint author), Washington State Univ, Dept Phys, 2710 Univ Dr, Richland, WA 99352 USA. EM ls.wang@pnl.gov NR 33 TC 25 Z9 25 U1 0 U2 4 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 37 BP 6022 EP 6024 DI 10.1002/anie.200501564 PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 968FI UT WOS:000232146900019 PM 16097018 ER PT J AU Tian, GX Xu, JD Rao, LF AF Tian, GX Xu, JD Rao, LF TI Optical absorption and structure of a highly symmetrical neptunium(V) diamide complex SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE absorption; amides; coordination modes; neptunium; X-ray diffraction ID DICARBOXYLIC-ACIDS; NPO2+; IONS C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Rao, LF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM lrao@lbl.gov NR 20 TC 47 Z9 48 U1 2 U2 15 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 38 BP 6200 EP 6203 DI 10.1002/anie.200501281 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 970EJ UT WOS:000232287700021 PM 16130166 ER PT J AU Haranczyk, M Gutowski, M AF Haranczyk, M Gutowski, M TI Finding adiabatically bound anions of guanine through a combinatorial computational approach SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE ab initio calculations; anions; combinatorial chemistry; guanine; nucleobases ID ELECTRON-SPIN-RESONANCE; EXCESS ELECTRON; DNA BASES; AFFINITIES; ATTACHMENT; TAUTOMERS; CYTOSINE; THYMINE C1 Univ Gdansk, Dept Chem, PL-80952 Gdansk, Poland. Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. RP Gutowski, M (reprint author), Univ Gdansk, Dept Chem, PL-80952 Gdansk, Poland. EM maciej.gutowski@pnl.gov RI Haranczyk, Maciej/A-6380-2014 OI Haranczyk, Maciej/0000-0001-7146-9568 NR 24 TC 32 Z9 32 U1 0 U2 2 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 40 BP 6585 EP 6588 DI 10.1002/anie.200501671 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 976VR UT WOS:000232762100033 PM 16163776 ER PT J AU Pestovsky, O Stoian, S Bominaar, EL Shan, XP Munck, E Que, L Bakac, A AF Pestovsky, O Stoian, S Bominaar, EL Shan, XP Munck, E Que, L Bakac, A TI Aqueous Fe-IV=O: Spectroscopic identification and oxo-group exchange SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE Fenton reaction; iron; Mossbauer spectroscopy; oxygen; X-ray absorption spectroscopy ID ALIPHATIC HYDROXYLATION; FERRYL ION; IRON; OXIDATION; COMPLEXES; FE(IV) C1 Carnegie Mellon Univ, Dept Chem, Pittsburgh, PA 15213 USA. Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA. Univ Minnesota, Ctr Met Biocatalysis, Minneapolis, MN 55455 USA. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Munck, E (reprint author), Carnegie Mellon Univ, Dept Chem, 4400 5th Ave, Pittsburgh, PA 15213 USA. EM emunck@cmu.edu; que@chem.umn.edu; bakac@ameslab.gov FU NIBIB NIH HHS [EB001475]; NIGMS NIH HHS [GM-38767] NR 26 TC 167 Z9 167 U1 6 U2 55 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 42 BP 6871 EP 6874 DI 10.1002/anie.200502686 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 982FI UT WOS:000233142900011 PM 16206322 ER PT J AU Huynh, MHV Hiskey, MA Chavez, DE Gilardi, RD AF Huynh, MHV Hiskey, MA Chavez, DE Gilardi, RD TI Tetraazapentalene chemistry: Unexpected intramolecular electron rearrangement induced by highly reactive psi-dinitroso substituents SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE azides; nitrogen heterocycles; reactive intermediates; rearrangement; ring opening ID METAL-CARBENE COMPLEXES; DENSE ENERGETIC COMPOUNDS; HYPERVALENT SULFUR; MOLECULAR-STRUCTURES; AROMATIC AZAPENTALENES; MACROCYCLIC-COMPOUNDS; ELIMINATION-REACTIONS; EXPLOSIVE PROPERTIES; N BONDS; DERIVATIVES C1 Los Alamos Natl Lab, Dynam Expt Div, Mat Dynam Grp, Los Alamos, NM 87545 USA. USN, Res Lab, Lab Struct Matter, Washington, DC 20375 USA. RP Huynh, MHV (reprint author), Los Alamos Natl Lab, Dynam Expt Div, Mat Dynam Grp, MS C920,DX-2, Los Alamos, NM 87545 USA. EM huynh@ianl.gov; hiskey@lanl.gov NR 77 TC 8 Z9 8 U1 1 U2 7 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 43 BP 7089 EP 7094 DI 10.1002/anie.200502342 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 984CJ UT WOS:000233279800022 PM 16222653 ER PT J AU Gandon, V Leboeuf, D Amslinger, S Vollhardt, KPC Malacria, M Aubert, C AF Gandon, V Leboeuf, D Amslinger, S Vollhardt, KPC Malacria, M Aubert, C TI Chemo-, regio-, and stereoselective cobalt-mediated [2+2+2] cycloaddition of alkynyl boronates to alkenes: 1,3- and 1,4-Diboryl-1,3-cyclohexadienes SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE alkenes; alkynylboronates; cobalt; cycloaddition; diene ligands C1 Univ Paris 06, Inst Chim Mol, FR2769, Chim Organ Lab,UMR 7611, F-75252 Paris, France. Univ Calif Berkeley, Dept Chem, Ctr New Direct Organ Synthesis, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Aubert, C (reprint author), Univ Paris 06, Inst Chim Mol, FR2769, Chim Organ Lab,UMR 7611, Tour 44-54,2 Etage,CC 229,4 Pl Jussieu, F-75252 Paris, France. EM aubert@ccr.jussieu.fr RI Gandon, Vincent/C-1942-2014; leboeuf, david/O-1306-2013; Amslinger, Sabine/H-9072-2015 OI Gandon, Vincent/0000-0003-1108-9410; leboeuf, david/0000-0001-5720-7609; Amslinger, Sabine/0000-0001-6588-3658 NR 3 TC 45 Z9 45 U1 1 U2 7 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 43 BP 7114 EP 7118 DI 10.1002/anie.200502038 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 984CJ UT WOS:000233279800029 PM 16217821 ER PT J AU Ji, M Gu, X Li, X Gong, XG Li, J Wang, LS AF Ji, M Gu, X Li, X Gong, XG Li, J Wang, LS TI Experimental and theoretical investigation of the electronic and geometrical structures of the Au-32 cluster SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE cluster compounds; density functional calculations; gold; photoelectron spectroscopy; structure elucidation ID PHOTOELECTRON-SPECTRA; GOLD; AU-20; TRANSITION; CATALYSIS; CHEMISTRY; ANIONS; ENERGY C1 Fudan Univ, Surface Phys Lab, Shanghai 200433, Peoples R China. Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China. Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. Washington State Univ, Dept Phys, Richland, WA 99352 USA. Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. RP Gong, XG (reprint author), Fudan Univ, Surface Phys Lab, Shanghai 200433, Peoples R China. EM xggong@fudan.edu.cn; jun.li@pnl.gov; ls.wang@pnl.gov RI gong, xingao /B-1337-2010; Li, Jun/E-5334-2011; gong, xingao/D-6532-2011 OI Li, Jun/0000-0002-8456-3980; NR 29 TC 100 Z9 100 U1 5 U2 29 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1433-7851 EI 1521-3773 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 43 BP 7119 EP 7123 DI 10.1002/anie.200502795 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 984CJ UT WOS:000233279800030 PM 16217824 ER PT J AU Huang, X Zhai, HJ Kiran, B Wang, LS AF Huang, X Zhai, HJ Kiran, B Wang, LS TI Observation of d-orbital aromaticity SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE aromaticity; cluster compounds; density; functional calculations; metal-metal interactions; photoelectron spectroscopy ID CLUSTER COMPOUNDS; METAL CLUSTER; AB-INITIO; ELECTRON-AFFINITIES; SIGMA-AROMATICITY; OXIDE CLUSTERS; BASIS-SETS; AL-4(2-); MOLECULES; HYDROCARBONS C1 Washington State Univ, Dept Phys, Richland, WA 99354 USA. Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. RP Wang, LS (reprint author), Washington State Univ, Dept Phys, 2710 Univ Dr, Richland, WA 99354 USA. EM ls.wang@pnl.gov NR 44 TC 134 Z9 134 U1 3 U2 20 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 44 BP 7251 EP 7254 DI 10.1002/anie.200502678 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 985UP UT WOS:000233404500019 PM 16229039 ER PT J AU Lee, J Lee, D Oh, E Kim, J Kim, YP Jin, S Kim, HS Hwang, Y Kwak, JH Park, JG Shin, CH Kim, J Hyeon, T AF Lee, J Lee, D Oh, E Kim, J Kim, YP Jin, S Kim, HS Hwang, Y Kwak, JH Park, JG Shin, CH Kim, J Hyeon, T TI Preparation of a magnetically switchable bioelectrocatalytic system employing cross-linked enzyme aggregates in magnetic mesocellular carbon foam SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE carbon; electrochemistry; enzyme catalysis; mesoporous materials; nanotechnology ID MESOPOROUS CARBONS; SILICA MATERIALS; NANOPARTICLES; SUPERLATTICES; PARTICLES; TEMPLATE; SBA-15 C1 Korea Adv Inst Sci & Technol, Dept Biol Sci, Taejon 305701, South Korea. Pacific NW Natl Lab, Richland, WA 99352 USA. Seoul Natl Univ, Sch Chem & Biol Engn, Seoul 151744, South Korea. Natl Creat Res Initiat Ctr Oxide Nanocrystalline, Seoul 151744, South Korea. Sungkyunkwan Univ, Dept Phys, Suwon 440746, South Korea. Chungbuk Natl Univ, Dept Chem Engn, Chonju 360763, Chungbuk, South Korea. RP Kim, HS (reprint author), Korea Adv Inst Sci & Technol, Dept Biol Sci, 373-1 Kusong Dong, Taejon 305701, South Korea. EM Jungbae.Kim@pnl.gov; hskim76@kaist.ac.kr; thyeon@plaza.snu.ac.kr RI Kim, Young-Pil/A-5437-2009; Kim, Hak-Sung/C-1929-2011; Hyeon, Taeghwan/J-5315-2012; Park, Je Geun/K-8571-2013; Kwak, Ja Hun/J-4894-2014; Lee, Jinwoo/G-3330-2016; Lee, Junyoung/D-5463-2012 OI Kim, Young-Pil/0000-0001-7234-1320; Lee, Jinwoo/0000-0001-6347-0446; Kim, Jaeyun/0000-0002-4687-6732; Lee, Junyoung/0000-0001-6689-2759 NR 50 TC 90 Z9 91 U1 3 U2 44 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 45 BP 7427 EP 7432 DI 10.1002/anie.200502995 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 987KB UT WOS:000233515700019 PM 16240311 ER PT J AU Xiong, YJ Wiley, B Chen, JY Li, ZY Yin, YD Xia, YN AF Xiong, YJ Wiley, B Chen, JY Li, ZY Yin, YD Xia, YN TI Corrosion-based synthesis of single-crystal Pd nanoboxes and nanocages and their surface plasmon properties SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE corrosion; nanostructures; palladium; scanning probe microscopy; surface plasmon resonance ID SHAPE-CONTROLLED SYNTHESIS; COUPLING REACTIONS; PALLADIUM NANOPARTICLES; METAL NANOPARTICLES; OPTICAL-PROPERTIES; ARBITRARY SHAPES; SIZE; NANOSTRUCTURES; SILVER; GOLD C1 Univ Washington, Dept Chem, Seattle, WA 98195 USA. Univ Washington, Dept Chem Engn, Seattle, WA 98195 USA. Chinese Acad Sci, Inst Phys, Lab Opt Phys, Beijing 100080, Peoples R China. Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Xia, YN (reprint author), Univ Washington, Dept Chem, Seattle, WA 98195 USA. EM xia@chem.washington.edu RI Wiley, Benjamin/A-7003-2008; Yin, Yadong/D-5987-2011; Xiong, Yujie/G-3203-2010; Xia, Younan/E-8499-2011; Chen, Jingyi/E-7168-2010 OI Yin, Yadong/0000-0003-0218-3042; Chen, Jingyi/0000-0003-0012-9640 NR 31 TC 231 Z9 239 U1 9 U2 110 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1433-7851 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PY 2005 VL 44 IS 48 BP 7913 EP 7917 DI 10.1002/anie.200502722 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 994CL UT WOS:000234007700016 PM 16304650 ER PT J AU Shprits, YY Thorne, RM Reeves, GD Friedel, R AF Shprits, YY Thorne, RM Reeves, GD Friedel, R TI Radial diffusion modeling with empirical lifetimes: comparison with CRRES observations SO ANNALES GEOPHYSICAE LA English DT Article DE magnetospheric physics; energetic particles, trapped; solar wind-magnetosphere interactions; storms and substorms ID PITCH-ANGLE DIFFUSION; OUTER-ZONE ELECTRONS; ION-CYCLOTRON WAVES; BELT ELECTRONS; RESONANT DIFFUSION; GEOMAGNETIC STORMS; MAGNETIC STORM; EMIC WAVES; OCTOBER 9; ACCELERATION AB A time dependent radial diffusion model is used to quantify the competing effects of inward radial diffusion and losses on the distribution of the outer zone relativistic electrons. The rate of radial diffusion is parameterized by K-p, with the loss time as an adjustable parameter. Comparison with HEEF data taken over 500 Combined Release and Radiation Effects Satellite (CRRES) orbits indicates that 1-MeV electron lifetimes near the peak of the outer zone are less than a day during the storm main phase and few days under less disturbed conditions. These values are comparable to independent estimates of the storm time loss rate due to scattering by EMIC waves and chorus emission, and also provide an acceptable representation of electron decay rates following the storm time injection. Although our radial diffusion model, with data derived lifetimes, is able to simulate many features of the variability of outer zone fluxes and predicts fluxes within one order of magnitude accuracy for most of the storms and L values, it fails to reproduce the magnitude of flux changes and the gradual build up of fluxes observed during the recovery phase of many storms. To address these differences future modeling should include an additional local acceleration source and also attempt to simulate the pronounced loss of electrons during the main phase of certain storms. C1 Univ Calif Los Angeles, Dept Atmospher & Ocean Sci, Los Angeles, CA 90024 USA. Los Alamos Natl Lab, Los Alamos, NM USA. RP Univ Calif Los Angeles, Dept Atmospher & Ocean Sci, Los Angeles, CA 90024 USA. EM yshprits@atmos.ucla.edu RI Friedel, Reiner/D-1410-2012; Reeves, Geoffrey/E-8101-2011 OI Friedel, Reiner/0000-0002-5228-0281; Reeves, Geoffrey/0000-0002-7985-8098 NR 25 TC 57 Z9 57 U1 0 U2 2 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 0992-7689 EI 1432-0576 J9 ANN GEOPHYS-GERMANY JI Ann. Geophys. PY 2005 VL 23 IS 4 BP 1467 EP 1471 PG 5 WC Astronomy & Astrophysics; Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences SC Astronomy & Astrophysics; Geology; Meteorology & Atmospheric Sciences GA 962BH UT WOS:000231705500033 ER PT J AU Palmroth, M Janhunen, P Pulkkinen, TI Aksnes, A Lu, G Ostgaard, N Watermann, J Reeves, GD Germany, GA AF Palmroth, M Janhunen, P Pulkkinen, TI Aksnes, A Lu, G Ostgaard, N Watermann, J Reeves, GD Germany, GA TI Assessment of ionospheric Joule heating by GUMICS-4 MHD simulation, AMIE, and satellite-based statistics: towards a synthesis SO ANNALES GEOPHYSICAE LA English DT Article DE ionosphere; auroral ionosphere; modeling and forecasting; electric fields and currents ID HIGH-LATITUDE IONOSPHERE; POYNTING FLUX OBSERVATIONS; POLAR-CAP POTENTIALS; ELECTRIC-FIELD; SOLAR-WIND; NEUTRAL WINDS; THERMOSPHERE MODEL; GEOMAGNETIC STORM; ENERGY-TRANSFER; MAGNETOSPHERE AB We investigate the Northern Hemisphere Joule heating from several observational and computational sources with the purpose of calibrating a previously identified functional dependence between solar wind parameters and ionospheric total energy consumption computed from a global magnetohydrodynamic (MHD) simulation (Grand Unified Magnetosphere Ionosphere Coupling Simulation, GUMICS-4). In this paper, the calibration focuses on determining the amount and temporal characteristics of Northern Hemisphere Joule heating. Joule heating during a substorm is estimated from global observations, including electric fields provided by Super Dual Auroral Network (SuperDARN) and Pedersen conductances given by the ultraviolet (UV) and X-ray imagers on board the Polar satellite. Furthermore, Joule heating is assessed from several activity index proxies, large statistical surveys, assimilative data methods (AMIE), and the global MHD simulation GUMICS-4. We show that the temporal and spatial variation of the Joule heating computed from the GUMICS-4 simulation is consistent with observational and statistical methods. However, the different observational methods do not give a consistent estimate for the magnitude of the global Joule heating. We suggest that multiplying the GUMICS-4 total Joule heating by a factor of 10 approximates the observed Joule heating reasonably well. The lesser amount of Joule heating in GUMICS-4 is essentially caused by weaker Region 2 currents and polar cap potentials. We also show by theoretical arguments that multiplying independent measurements of averaged electric fields and Pedersen conductances yields an overestimation of Joule heating. C1 Finnish Meteorol Inst, Space Res Div, FIN-00101 Helsinki, Finland. Univ Bergen, Dept Phys & Technol, Bergen, Norway. Natl Ctr Atmospher Res, High Altitude Observ, Boulder, CO 80307 USA. Danish Meteorol Inst, Atmosphere Space Res Div, Farum, Denmark. Los Alamos Natl Lab, Los Alamos, NM USA. Univ Alabama, Ctr Space Plasma & Aeron Res, Huntsville, AL 35899 USA. RP Palmroth, M (reprint author), Finnish Meteorol Inst, Space Res Div, FIN-00101 Helsinki, Finland. EM Minna.Palmroth@fmi.fi RI Lu, Gang/A-6669-2011; Reeves, Geoffrey/E-8101-2011; Pulkkinen, Tuija/D-8403-2012 OI Reeves, Geoffrey/0000-0002-7985-8098; Pulkkinen, Tuija/0000-0002-6317-381X NR 45 TC 24 Z9 24 U1 0 U2 7 PU EUROPEAN GEOSCIENCES UNION PI KATLENBURG-LINDAU PA MAX-PLANCK-STR 13, 37191 KATLENBURG-LINDAU, GERMANY SN 0992-7689 J9 ANN GEOPHYS-GERMANY JI Ann. Geophys. PY 2005 VL 23 IS 6 BP 2051 EP 2068 PG 18 WC Astronomy & Astrophysics; Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences SC Astronomy & Astrophysics; Geology; Meteorology & Atmospheric Sciences GA 973YQ UT WOS:000232558900008 ER PT J AU Sergeev, VA Kubyshkina, MV Baumjohann, W Nakamura, R Amm, O Pulkkinen, T Angelopoulos, V Mende, SB Klecker, B Nagai, T Sauvaud, JA Slavin, JA Thomsen, MF AF Sergeev, VA Kubyshkina, MV Baumjohann, W Nakamura, R Amm, O Pulkkinen, T Angelopoulos, V Mende, SB Klecker, B Nagai, T Sauvaud, JA Slavin, JA Thomsen, MF TI Transition from substorm growth to substorm expansion phase as observed with a radial configuration of ISTP and Cluster spacecraft SO ANNALES GEOPHYSICAE LA English DT Article DE magnetospheric physics; auroral phenomena, plasma sheet, storms and substorms ID PLASMA SHEET; SOLAR-WIND; MAGNETOTAIL; MODEL; MAGNETOSPHERE; RECONNECTION; CONTINUATION; ONSETS; EVENT; FLUX AB Transition from the growth phase to the substorm expansion during a well-isolated substorm with a strong growth phase is investigated using a unique radial (THEMIS-like) spacecraft constellation near midnight, including the probing of the tail current at similar to 16 R-E with Cluster, of the transition region at similar to 9 R-E with Geotail and Polar, and of the inner region at 6.6 R-E with two LANL spacecraft. The activity development on both a global scale and near the spacecraft footpoints was monitored with global auroral images (from the IMAGE spacecraft) and the ground network. Magnetospheric models, tuned using in-situ observations, indicated a strong tail stretching and plasma sheet thinning, which included the growth of the near-Earth current (approaching 30 nA/m(2)) and possible formation of a local B minimum in the neutral sheet (similar to 5 nT) at similar to 10-12 R-E near the substorm onset. However, there were no indications that the substorm onset was initiated just in this region. We emphasize the rather weak magnetic and plasma flow perturbations observed outside the thinned plasma sheet at Cluster, which could be interpreted as the effects of localized earthward-contracting newly-reconnected plasma tubes produced by the impulsive reconnection in the midtail plasma sheet. In that case the time delays around the distinct substorm onset are consistent with the activity propagation from the midtail to the inner magnetosphere. A peculiar feature of this substorm was that 12 min prior to this distinct onset, a clear soft plasma injection to the GEO orbit was recorded which has little associated effects both in the ionosphere and in the transition region at similar to 9 R-E. This pseudo-breakup was probably due to either a localized ballooning-type activity or due to the braking of a very narrow BBF whose signatures were also recorded by Cluster. This event manifested the (previously unknown) phenomenon, a strong tail overloading (excessive storage of magnetic energy) contrasted to the modest energy dissipation and plasma acceleration, which are both discussed and interpreted as the consequences of cold/dense and thick pre-substorm plasma sheet which often occurs after the long quiet period. The lessons of using the radial spacecraft configurations in substorm onset studies are also discussed. C1 St Petersburg State Univ, St Petersburg 198504, Russia. Austrian Acad Sci, Space Res Inst, A-8042 Graz, Austria. Finnish Meteorol Inst, FIN-00101 Helsinki, Finland. Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. Max Planck Inst Extraterr Phys, D-85741 Garching, Germany. Tokyo Inst Technol, Dept Earth & Planetary Sci, Tokyo 1528551, Japan. CESR, F-31028 Toulouse, France. NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP St Petersburg State Univ, St Petersburg 198504, Russia. EM victor@geo.phys.spbu.ru RI Baumjohann, Wolfgang/A-1012-2010; Slavin, James/H-3170-2012; Kubyshkina, Marina/G-9436-2013; Nakamura, Rumi/I-7712-2013; Pulkkinen, Tuija/D-8403-2012; Sergeev, Victor/H-1173-2013 OI Baumjohann, Wolfgang/0000-0001-6271-0110; Slavin, James/0000-0002-9206-724X; Kubyshkina, Marina/0000-0001-5897-9547; Nakamura, Rumi/0000-0002-2620-9211; Pulkkinen, Tuija/0000-0002-6317-381X; Sergeev, Victor/0000-0002-4569-9631 NR 35 TC 31 Z9 31 U1 0 U2 6 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 0992-7689 EI 1432-0576 J9 ANN GEOPHYS-GERMANY JI Ann. Geophys. PY 2005 VL 23 IS 6 BP 2183 EP 2198 PG 16 WC Astronomy & Astrophysics; Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences SC Astronomy & Astrophysics; Geology; Meteorology & Atmospheric Sciences GA 973YQ UT WOS:000232558900016 ER PT J AU Moretto, T Sibeck, DG Lavraud, B Trattner, KJ Reme, H Balogh, A AF Moretto, T Sibeck, DG Lavraud, B Trattner, KJ Reme, H Balogh, A TI Flux pile-up and plasma depletion at the high latitude dayside magnetopause during southward interplanetary magnetic field: a cluster event study SO ANNALES GEOPHYSICAE LA English DT Article DE magnetospheric physics; magnetopause, cusp and boundary layers; magnetosheath; solar wind-magnetosphere interactions ID SUBSOLAR MAGNETOSHEATH; LAYER; RECONNECTION; FLOW; BOUNDARY; SHEAR; MODEL; CUSP; IMF AB An event of strong flux pile-up and plasma depletion at the high latitude magnetopause tailward of the cusp has been analyzed based on observations by the suite of Cluster spacecraft. The multi-satellite analysis facilitates the separation of temporal and spatial features and provides a direct estimate for the strength of the plasma depletion layer for this event. A doubling of the magnetic field strength and a forty percent reduction of the density are found. Our analysis shows that roughly half of the total magnetic field increase occurs within 0.6 R-E of the magnetopause and another quarter within a distance of 1.2 R-E. In addition, the plasma depletion signatures exhibit temporal variations which we relate to magnetopause dynamics. C1 Natl Sci Fdn, Arlington, VA 22230 USA. NASA, Goddard Space Flight Ctr, Lab Solar & Space Phys, Greenbelt, MD 20771 USA. Los Alamos Natl Lab, Los Alamos, NM USA. Lockheed Martin ATC, Palo Alto, CA USA. CESR, Toulouse, France. Univ London Imperial Coll Sci & Technol, London, England. RP Moretto, T (reprint author), Natl Sci Fdn, 4201 Wilson Blvd, Arlington, VA 22230 USA. EM tjorgens@nsf.gov RI Sibeck, David/D-4424-2012; Moretto, Therese/B-6846-2013 OI Moretto, Therese/0000-0002-2403-5561 NR 27 TC 3 Z9 3 U1 0 U2 2 PU EUROPEAN GEOSCIENCES UNION PI KATLENBURG-LINDAU PA MAX-PLANCK-STR 13, 37191 KATLENBURG-LINDAU, GERMANY SN 0992-7689 J9 ANN GEOPHYS-GERMANY JI Ann. Geophys. PY 2005 VL 23 IS 6 BP 2259 EP 2264 PG 6 WC Astronomy & Astrophysics; Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences SC Astronomy & Astrophysics; Geology; Meteorology & Atmospheric Sciences GA 973YQ UT WOS:000232558900022 ER PT J AU Lavraud, B Denton, MH Thomsen, MF Borovsky, JE Friedel, RHW AF Lavraud, B Denton, MH Thomsen, MF Borovsky, JE Friedel, RHW TI Superposed epoch analysis of dense plasma access to geosynchronous orbit SO ANNALES GEOPHYSICAE LA English DT Article DE magnetospheric physics; plasma convection; plasma sheet; space plasma physics; transport processes ID SHEET BOUNDARY-LAYER; SOLAR-WIND; GEOTAIL OBSERVATIONS; ION COMPOSITION; MAGNETOSPHERE; MAGNETOTAIL; SPACECRAFT; TRANSPORT; ANALYZER; STORM AB We report on the occurrence of dense plasma access to geosynchronous orbit. We performed a superposed epoch analysis of 1464 events of dense (> 2 cm(-3) at onset) plasma observed by the MPA instruments on board the Los Alamos satellites, for the period 1990-2002. The results allow us to study the temporal evolution of various plasma parameters as a function of local time. We show that dense plasma access to geosynchronous orbit mostly occurs near local midnight. This dense plasma population is shown to be freshly injected from the mid-tail region, colder than the typical plasma sheet and composed of a relatively small O+ component. This population is thus probably the result of a cold, dense plasma sheet (CDPS) injection from the mid-tail region. Cold and dense ion populations are also observed on the dawnside of geosynchronous orbit at a similar epoch time. However, we demonstrate that this latter population is not the result of the dawnward transport of the population detected near midnight. The properties of this ion population may arise from the contribution of both ionospheric up-flows and precipitating plasma sheet material. The correlation of an enhanced K-p index with the arrival of the CDPS at geosynchronous orbit shows that the inward transport of this population is allowed by an enhanced magnetospheric convection. Surprisingly, this dense plasma does not, in general, lead to a stronger D-st (ring current strength) within the 12 h following the CDPS injection. It is noted, however, that the superposed KP index returns to relatively low values soon after the arrival of the CDPS. This may suggest that the dense plasma is, given the average of the 1464 events of this study, only transiting through geosynchronous orbit without accessing the inner regions and, therefore, does not contribute to the ring current. C1 Los Alamos Natl Lab, Space Sci & Appl, Los Alamos, NM 87545 USA. RP Lavraud, B (reprint author), Los Alamos Natl Lab, Space Sci & Appl, POB 1663,MS D466, Los Alamos, NM 87545 USA. EM lavraud@lanl.gov RI Friedel, Reiner/D-1410-2012; OI Friedel, Reiner/0000-0002-5228-0281; Denton, Michael/0000-0002-1748-3710 NR 29 TC 23 Z9 23 U1 0 U2 0 PU EUROPEAN GEOSCIENCES UNION PI KATLENBURG-LINDAU PA MAX-PLANCK-STR 13, 37191 KATLENBURG-LINDAU, GERMANY SN 0992-7689 J9 ANN GEOPHYS-GERMANY JI Ann. Geophys. PY 2005 VL 23 IS 7 BP 2519 EP 2529 PG 11 WC Astronomy & Astrophysics; Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences SC Astronomy & Astrophysics; Geology; Meteorology & Atmospheric Sciences GA 988CL UT WOS:000233568900024 ER PT J AU Dunlop, MW Taylor, MGGT Davies, JA Owen, CJ Pitout, F Fazakerley, AN Pu, Z Laakso, H Bogdanova, YV Zong, QG Shen, C Nykyri, K Lavraud, B Milan, SE Phan, TD Reme, H Escoubet, CP Carr, CM Cargill, P Lockwood, M Sonnerup, B AF Dunlop, MW Taylor, MGGT Davies, JA Owen, CJ Pitout, F Fazakerley, AN Pu, Z Laakso, H Bogdanova, YV Zong, QG Shen, C Nykyri, K Lavraud, B Milan, SE Phan, TD Reme, H Escoubet, CP Carr, CM Cargill, P Lockwood, M Sonnerup, B TI Coordinated Cluster/Double Star observations of dayside reconnection signatures SO ANNALES GEOPHYSICAE LA English DT Article DE space plasma physics; magnetic reconnection; magnetospheric physics; maonetopause, cusp, and boundary layers; radioscience; instruments and techniques ID FLUX-TRANSFER EVENTS; MAGNETIC-FIELD; HIGH-LATITUDE; PLASMA ELECTRON; MAGNETOPAUSE; INTERPLANETARY; EXPLORER; MISSION; MOTION; PEACE AB The recent launch of the equatorial spacecraft of the Double Star mission, TC-1, has provided an unprecedented opportunity to monitor the southern hemisphere dayside magnetopause boundary layer in conjunction with northern hemisphere observations by the quartet of Cluster spacecraft. We present first results of one such situation where, on 6 April 2004, both Cluster and the Double Star TC-1 spacecraft were on outbound transits through the dawnside magnetosphere. The observations are consistent with ongoing reconnection on the dayside magnetopause, resulting in a series of flux transfer events (FTEs) seen both at Cluster and TC-1, which appear to lie north and south of the reconnection line, respectively. In fact, the observed polarity and motion of each FTE signature advocates the existence of an active reconnection region consistently located between the positions of Cluster and TC-1, with Cluster observing northward moving FTEs with +/- polarity, whereas TC-1 sees -/+ polarity FTEs. Ibis assertion is further supported by the application of a model designed to track flux tube motion for the prevailing interplanetary conditions. The results from this model show, in addition, that the low-latitude FTE dynamics are sensitive to changes in convected upstream conditions. In particular, changing the interplanetary magnetic field (IMF) clock angle in the model suggests that TC-1 should miss the resulting FTEs more often than Cluster and this is borne out by the observations. C1 Rutherford Appleton Lab, Space Sci & Technol Dept, Chilton OX11 0QX, Oxon, England. Univ London Imperial Coll Sci & Technol, Blackett Lab, London SW7 2AZ, England. UCL, Mullard Space Sci Lab, Dorking RH5 6NT, Surrey, England. European Space Agcy, ESTEC, NL-2200 AG Noordwijk, Netherlands. Peking Univ, Sch Earth & Space Sci, Beijing 100871, Peoples R China. Boston Univ, Ctr Space Phys, Boston, MA 02215 USA. Chinese Acad Sci, Ctr Space Sci & Appl Res, Beijing 100080, Peoples R China. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Leicester, Dept Phys & Astron, Leicester LE1 7RH, Leics, England. Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. Ctr Etud Spatiale Rayonnements, Toulouse 4, France. Dartmouth Coll, Thayer Sch Engn, Hanover, NH 03755 USA. RP Dunlop, MW (reprint author), Rutherford Appleton Lab, Space Sci & Technol Dept, Chilton OX11 0QX, Oxon, England. EM m.w.dunlop@rl.ac.uk RI Owen, Christopher/C-2999-2008; Lockwood, Mike/G-1030-2011; OI Owen, Christopher/0000-0002-5982-4667; Lockwood, Mike/0000-0002-7397-2172; Nykyri, Katariina/0000-0002-6905-9487 NR 32 TC 41 Z9 41 U1 0 U2 6 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 0992-7689 J9 ANN GEOPHYS-GERMANY JI Ann. Geophys. PY 2005 VL 23 IS 8 BP 2867 EP 2875 PG 9 WC Astronomy & Astrophysics; Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences SC Astronomy & Astrophysics; Geology; Meteorology & Atmospheric Sciences GA 992VF UT WOS:000233911400013 ER PT J AU Birn, J Hesse, M AF Birn, J Hesse, M TI Energy release and conversion by reconnection in the magnetotail SO ANNALES GEOPHYSICAE LA English DT Article DE magnetospheric physics; magnetospheric configuration and dynamics; storms and substorms; space plasma physics; magnetic reconnection ID COLLISIONLESS MAGNETIC RECONNECTION; SIMULATIONS; BRAKING; HYBRID; LINE AB Magnetic reconnection is the crucial process in the release of magnetic energy previously stored in the magnetotail in association with substorms. However, energy transfer and dissipation in the vicinity of the reconnection site is only a minor part of the energy conversion. We discuss the energy release, transport, and conversion based on large-scale resistive MHD simulations of magnetotail dynamics and more localized full particle simulations of reconnection. We address in particular, where the energy is released, how it propagates and where and how it is converted from one form into another. We find that Joule (or ohmic) dissipation plays only a minor role in the overall energy transfer. Bulk kinetic energy, although locally significant in the outflow from the reconnection site, plays a more important role as mediator or catalyst in the transfer between magnetic and thermal energy. Generator regions with potential auroral consequences are located primarily off the equatorial plane in the boundary regions of the plasma sheet. C1 Los Alamos Natl Lab, Los Alamos, NM 87544 USA. NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. RP Birn, J (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87544 USA. EM jbirn@lanl.gov RI Hesse, Michael/D-2031-2012; NASA MMS, Science Team/J-5393-2013 OI NASA MMS, Science Team/0000-0002-9504-5214 NR 11 TC 36 Z9 36 U1 0 U2 5 PU EUROPEAN GEOSCIENCES UNION PI KATLENBURG-LINDAU PA MAX-PLANCK-STR 13, 37191 KATLENBURG-LINDAU, GERMANY SN 0992-7689 J9 ANN GEOPHYS-GERMANY JI Ann. Geophys. PY 2005 VL 23 IS 10 BP 3365 EP 3373 PG 9 WC Astronomy & Astrophysics; Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences SC Astronomy & Astrophysics; Geology; Meteorology & Atmospheric Sciences GA 002FE UT WOS:000234596100017 ER PT J AU Draper, NC Lester, M Cowley, SWH Wild, JA Milan, SE Provan, G Grocott, A Fazakerley, AN Lahiff, A Davies, JA Bosqued, JM Dewhurst, JP Nakamura, R Owen, CJ Watermann, J Henderson, MG Singer, HJ Donovan, E AF Draper, NC Lester, M Cowley, SWH Wild, JA Milan, SE Provan, G Grocott, A Fazakerley, AN Lahiff, A Davies, JA Bosqued, JM Dewhurst, JP Nakamura, R Owen, CJ Watermann, J Henderson, MG Singer, HJ Donovan, E TI Cluster magnetotail observations of a tailward-travelling plasmoid at substorm expansion phase onset and field aligned currents in the plasma sheet boundary layer SO ANNALES GEOPHYSICAE LA English DT Article DE magnetospheric physics; magnetosphere-ionosphere interactions; magnetospheric configuration and dynamics; magnetotail boundary layers ID ADVANCED COMPOSITION EXPLORER; HIGH-LATITUDE CONVECTION; MAGNETIC-FIELD; GEOTAIL OBSERVATIONS; EARTHS MAGNETOSPHERE; CURRENT DISRUPTION; CURRENT SYSTEMS; DYNAMICS; ELECTRON; MODEL AB We present data from both ground- and space-based instruments for a substorm event which occurred on 5 October 2002, with an expansion phase onset time of 02:50 UT determined from the ground magnetometer data. During this substorm, the Cluster spacecraft were located around 15 R(E) downtail, 8 R(E) from midnight in the pre-midnight sector and just 2 R(E) above the equatorial plane (in GSM coordinates). At expansion phase onset the Cluster spacecraft were located in the plasma sheet, tailward of a near-Earth neutral line and detected a significant time delay of 6 min between the tail field B(z) component becoming negative and the subsequent detection of Earthward flows. This is explained by the formation of a tailward-directed travelling compression region initially Earthward of the spacecraft; 7 min later the Cluster spacecraft entered the plasma sheet boundary layer; they remained in and close to the plasma sheet boundary layer for around 15 min before exiting to the lobe. The spacecraft then re-entered the plasma sheet 30 min after onset. Earthward then tailward directed currents detected in the plasma sheet boundary layer after onset indicate that the Cluster spacecraft encountered the dawnward and duskward portions of the reconnection flow associated current system with Region 1 sense, respectively. The reconnection site and current system were initially skewed towards the pre-midnight sector, consistent with previous observations that found the majority of substorm onsets located in this sector. At later times the reconnection site and current system had moved towards dawn, to be located more centrally in the midnight sector. C1 Univ Leicester, Radio & Space Plasma Phys Grp, Leicester LE1 7RH, Leics, England. UCL, Mullard Space Sci Lab, Dorking RH5 6NT, Surrey, England. Rutherford Appleton Lab, Space Sci & Technol Dept, Didcot OX11 0QX, Oxon, England. CNRS, CESR, F-31028 Toulouse 4, France. Austrian Acad Sci, Space Res Inst, A-8042 Graz, Austria. Danish Meteorol Inst, Copenhagen, Denmark. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Natl Ocean & Atmospher Adm, Space Environm Ctr, Boulder, CO 80305 USA. Univ Calgary, Calgary, AB T2N 1N4, Canada. RP Draper, NC (reprint author), Univ Leicester, Radio & Space Plasma Phys Grp, Univ Rd, Leicester LE1 7RH, Leics, England. EM ncd8@ion.le.ac.uk RI Owen, Christopher/C-2999-2008; Grocott, Adrian/A-9576-2011; Nakamura, Rumi/I-7712-2013; Henderson, Michael/A-3948-2011; OI Owen, Christopher/0000-0002-5982-4667; Nakamura, Rumi/0000-0002-2620-9211; Henderson, Michael/0000-0003-4975-9029; Donovan, Eric/0000-0002-8557-4155; Wild, James/0000-0001-8025-8869 NR 32 TC 6 Z9 7 U1 0 U2 0 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 0992-7689 J9 ANN GEOPHYS-GERMANY JI Ann. Geophys. PY 2005 VL 23 IS 12 BP 3667 EP 3683 PG 17 WC Astronomy & Astrophysics; Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences SC Astronomy & Astrophysics; Geology; Meteorology & Atmospheric Sciences GA 007YW UT WOS:000235008400010 ER PT J AU Grison, B Sahraoui, F Lavraud, B Chust, T Cornilleau-Wehrlin, N Reme, H Balogh, A Andre, M AF Grison, B Sahraoui, F Lavraud, B Chust, T Cornilleau-Wehrlin, N Reme, H Balogh, A Andre, M TI Wave particle interactions in the high-altitude polar cusp: a Cluster case study SO ANNALES GEOPHYSICAE LA English DT Article DE magnetospheric physics; magnetopause, cusp and boundary layers; plasma waves and instabilities; space plasma physics; wave-particle interactions ID INTERPLANETARY MAGNETIC-FIELD; PLASMA-WAVES; EARTHS MAGNETOSPHERE; ION-ACCELERATION; BOUNDARY-LAYER; AURORAL REGION; ALFVEN WAVES; GENERATION; DISTRIBUTIONS; MAGNETOSHEATH AB On 23 March 2002, the four Cluster spacecraft crossed in close configuration (similar to 100 km separation) the high-altitude (10 R-E) cusp region. During a large part of the crossing, the STAFF and EFW instruments have detected strong electromagnetic wave activity at low frequencies, especially when intense field-aligned proton fluxes were detected by the CIS/HIA instrument. In all likelihood, such fluxes correspond to newly-reconnected field lines. A focus on one of these ion injection periods highlights the interaction between waves and protons. The wave activity has been investigated using the k-filtering technique. Experimental dispersion relations have been built in the plasma frame for the two most energetic wave modes. Results show that kinetic Alfven waves dominate the electromagnetic wave spectrum up to 1 Hz (in the spacecraft frame). Above 0.8 Hz, intense Bernstein waves are also observed. The close simultaneity observed between the wave and particle events is discussed as an evidence for local wave generation. A mechanism based on current instabilities is consistent with the observations of the kinetic Alfven waves. A weak ion heating along the recently-opened field lines is also suggested from the examination of the ion distribution functions. During an injection event, a large plasma convection motion, indicative of a reconnection site location, is shown to be consistent with the velocity perturbation induced by the large-scale Alfven wave simultaneously detected. C1 Ctr Etud Environm Terr & Planetaires, F-78140 Velizy Villacoublay, France. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Ctr Etud Spatiale Rayonnements, F-31028 Toulouse 4, France. Univ London Imperial Coll Sci Technol & Med, Blackett Lab, Space & Atmospher Grp, London, England. Swedish Inst Space Phys, Uppsala, Sweden. RP Ctr Etud Environm Terr & Planetaires, 10-12 Ave Europe, F-78140 Velizy Villacoublay, France. EM benjamin.grison@cetp.ipsl.fr RI Grison, Benjamin/G-9440-2014 OI Grison, Benjamin/0000-0002-3440-6856 NR 44 TC 24 Z9 24 U1 0 U2 2 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 0992-7689 EI 1432-0576 J9 ANN GEOPHYS-GERMANY JI Ann. Geophys. PY 2005 VL 23 IS 12 BP 3699 EP 3713 PG 15 WC Astronomy & Astrophysics; Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences SC Astronomy & Astrophysics; Geology; Meteorology & Atmospheric Sciences GA 007YW UT WOS:000235008400012 ER PT J AU Morel, JE Densmore, JD AF Morel, JE Densmore, JD TI A two-component equilibrium-diffusion limit SO ANNALS OF NUCLEAR ENERGY LA English DT Article AB The equilibrium-diffusion limit of the radiative transfer equations is characterized by a medium that is optically thick and diffusive for photons of all frequencies. In reality, this condition is almost never met because the transport medium tends to be optically thin for photons of sufficiently high frequency. Motivated by this fact, we derive a new asymptotic limit of the radiative transfer equations that is characterized by two photon components: one for which the medium is optically thick and diffusive, and the other for which the medium is optically thin. In this limit, the leading-order material temperature satisfies a time-dependent diffusion equation, and the leading-order radiation intensity for the optically thick photons is given by the Planck function evaluated at the leading-order material temperature, but the radiation intensity for the optically thin photons is zero through first order. The O(epsilon(2)) radiation intensity for the optically thin photons satisfies a quasi steady-state transport equation with zero interaction terms and a Planck emission term that depends upon the leading-order material temperature. We also discuss alternative scalings associated with the two-component limit that are characterized by a stronger coupling between the material and the optically thin component. (C) 2004 Published by Elsevier Ltd. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Morel, JE (reprint author), Los Alamos Natl Lab, POB 1663,Mail Stop 413, Los Alamos, NM 87545 USA. EM jim@lanl.gov NR 2 TC 1 Z9 1 U1 0 U2 0 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0306-4549 J9 ANN NUCL ENERGY JI Ann. Nucl. Energy PD JAN PY 2005 VL 32 IS 2 BP 233 EP 240 DI 10.1016/j.anucene.2004.08.010 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 889DS UT WOS:000226424300006 ER PT S AU Robinson, DG AF Robinson, DG GP IEEE TI Reliability analysis of bulk power systems using swarm intelligence SO ANNUAL RELIABILITY AND MAINTAINABILITY SYMPOSIUM, 2005 PROCEEDINGS SE PROCEEDINGS : ANNUAL RELIABILITY AND MAINTAINABILITY SYMPOSIUM LA English DT Article; Proceedings Paper CT 51st Annual Reliability and Maintainability Symposium (RAMS) CY JAN 24-27, 2005 CL Alexandria, VA SP IEEE, IIE, SAE, SLE, Soc Reliabil Engineers, IEST DE bulk power; contingency analysis; reliability; artificial intelligence AB This paper documents research into the use of an adaptive cultural model and collective intelligence as a means of characterizing the reliability of bulk power networks. Historically, utilities support the reliable design and operation of bulk power networks through first-order contingency analysis. In contingency analyses the list of candidate elements for disruption are identified by engineers a priori based on the rate at which the elements failure through the course of normal grid operation. The new method, an implementation of particle swarm analysis, a swarm of 'virtual power engineers' successfully identified the set of network elements which, if disrupted, would possibly lead to a cascading series of events resulting in the most wide spread damage. The methodology is technology independent: it can be applied on not only for reliability analysis of bulk power systems, but also other energy systems or transportation systems. The methodology is scale neutral: it can be applied to power distribution networks at the local, state or regional level. C1 Sandia Natl Labs, Risk & Reliabil Anal Dept, Albuquerque, NM 87185 USA. RP Robinson, DG (reprint author), Sandia Natl Labs, Risk & Reliabil Anal Dept, POB 5800,MS 0748, Albuquerque, NM 87185 USA. EM drobin@sandia.gov NR 4 TC 6 Z9 6 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0149-144X BN 0-7803-8824-0 J9 P REL MAINT S PY 2005 BP 96 EP 102 DI 10.1109/RAMS.2005.1408345 PG 7 WC Engineering, Multidisciplinary SC Engineering GA BCA63 UT WOS:000228469800017 ER PT S AU Alam, TM Alam, MK AF Alam, TM Alam, MK BE Webb, GA TI Chemometric analysis of NMR spectroscopy data: A review SO ANNUAL REPORTS ON NMR SPECTROSCOPY, VOL 54 SE ANNUAL REPORTS ON NMR SPECTROSCOPY LA English DT Review; Book Chapter ID NUCLEAR-MAGNETIC-RESONANCE; ORTHOGONAL SIGNAL CORRECTION; PRINCIPAL-COMPONENT ANALYSIS; CURVE RESOLUTION ALGORITHM; MULTIVARIATE DATA-ANALYSIS; NEAR-INFRARED SPECTRA; VIRGIN OLIVE OILS; PERFORMANCE LIQUID-CHROMATOGRAPHY; PATTERN-RECOGNITION TECHNIQUES; ANNIHILATION FACTOR-ANALYSIS AB The application of chemometric or multivariate analysis techniques to nuclear magnetic resonance (NMR) spectroscopic data is reviewed. Descriptions of the different processing and data manipulation procedures being utilized to produce reproducible input data sets for chemometric analysis are discussed. A brief review of some of the standard supervised and unsupervised chemometric classification methods as applied to NMR data is presented. The application of spectral resolution algorithms in the decomposition of NMR data to obtain pure component spectra and concentrations is also described. Specific examples of the use of chemometrics in NMR for a wide range of different fields are presented. The limitations, advantages and future directions of chemometric analysis in NMR are also discussed. C1 Sandia Natl Labs, Dept Organ Mat, Albuquerque, NM 87008 USA. Sandia Natl Labs, Dept Chem & Biol Sensing Imaging & Anal, Albuquerque, NM 87008 USA. RP Alam, TM (reprint author), Sandia Natl Labs, Dept Organ Mat, Albuquerque, NM 87008 USA. RI Bueno, Ligia/P-1359-2014 NR 138 TC 27 Z9 28 U1 2 U2 25 PU ACADEMIC PRESS LTD-ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL ROAD, LONDON NW1 7DX, ENGLAND SN 0066-4103 BN 0-12-505454-8 J9 ANNU REP NMR SPECTRO JI Annu. Rep. NMR Spectrosc. PY 2005 VL 54 BP 41 EP 80 DI 10.1016/S0066-4103(04)54002-4 PG 40 WC Spectroscopy SC Spectroscopy GA BCC06 UT WOS:000228553100002 ER PT J AU Puetter, RC Gosnell, TR Yahil, A AF Puetter, RC Gosnell, TR Yahil, A TI Digital image reconstruction: Deblurring and denoising SO ANNUAL REVIEW OF ASTRONOMY AND ASTROPHYSICS SE Annual Review of Astronomy and Astrophysics LA English DT Review; Book Chapter DE image processing; image restoration; maximum entropy; Pixon; regularization; wavelets ID FOURIER-TRANSFORM SPECTROSCOPY; OPTICAL-SECTIONING MICROSCOPY; MAXIMUM-ENTROPY METHOD; GENERALIZED CROSS-VALIDATION; MICROWAVE BACKGROUND MAPS; ILL-POSED PROBLEMS; EM ALGORITHM; WAVELET TRANSFORM; MULTIRESOLUTION ANALYSIS; STATISTICAL MECHANICS AB Digital image reconstruction is a robust means by which the underlying images hidden in blurry and noisy data can be revealed. The main challenge is sensitivity to measurement noise in the input data, which can be magnified strongly, resulting in large artifacts in the reconstructed image. The cure is to restrict the permitted images. This review summarizes image reconstruction methods in current use. Progressively more sophisticated image restrictions have been developed, including (a) filtering the input data, (b) regularization by global penalty functions, and (c) spatially adaptive methods that impose a variable degree of restriction across the image. The most reliable reconstruction is the most conservative one, which seeks the simplest underlying image consistent with the input data. Simplicity is context-dependent, but for most imaging applications, the simplest reconstructed image is the smoothest one. Imposing the maximum, spatially adaptive smoothing permitted by the data results in the best image reconstruction. C1 Univ Calif San Diego, Ctr Astrophys & Space Sci, La Jolla, CA 92093 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. Pixon LLC, Stony Brook, NY 11790 USA. RP Univ Calif San Diego, Ctr Astrophys & Space Sci, La Jolla, CA 92093 USA. EM Rick.Puetter@pixon.com; Tim.Gosnell@pixon.com; Amos.Yahil@pixon.com NR 160 TC 89 Z9 94 U1 5 U2 46 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0139 USA SN 0066-4146 J9 ANNU REV ASTRON ASTR JI Annu. Rev. Astron. Astrophys. PY 2005 VL 43 BP 139 EP 194 DI 10.1146/annurev.astro.43.112904.104850 PG 56 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 972EZ UT WOS:000232438300006 ER PT J AU Herwig, F AF Herwig, F TI Evolution of asymptotic giant branch stars SO ANNUAL REVIEW OF ASTRONOMY AND ASTROPHYSICS SE Annual Review of Astronomy and Astrophysics LA English DT Review; Book Chapter DE stellar evolution; low- and intermediate-mass stars; nucleosynthesis; s process ID INTERMEDIATE-MASS STARS; 3RD DREDGE-UP; S-PROCESS NUCLEOSYNTHESIS; DEFICIENT CENTRAL STARS; VERY-LOW METALLICITY; POST-AGB STARS; WHITE-DWARFS; STELLAR EVOLUTION; CARBON STARS; PLANETARY-NEBULAE AB The current status of modeling the evolution and nucleosynthesis of asymptotic giant branch (AGB) stars is reviewed. The principles of AGB evolution have been investigated in recent years leading to improved and refined models, for example with regard to hot-bottom burning or the third dredge-up. The postprocessing s-process model yields quantitative results that reproduce many observations. However, these and most other processes in AGB stars are intimately related to the physics of stellar mixing. Mixing in AGB stars is currently not well-enough understood for accurate yield predictions. Several constraints and methods are available to improve the models. Some regimes of AGB evolution have not yet been studied in sufficient detail. These include the super-AGB stars and AGB stars at extremely low or ultra low metallicity. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM fherwig@lanl.gov NR 144 TC 413 Z9 416 U1 1 U2 5 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0139 USA SN 0066-4146 J9 ANNU REV ASTRON ASTR JI Annu. Rev. Astron. Astrophys. PY 2005 VL 43 BP 435 EP 479 DI 10.1146/annurev.astro.43.072103.150600 PG 45 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 972EZ UT WOS:000232438300012 ER PT J AU Benham, CJ Mielke, SP AF Benham, CJ Mielke, SP TI DNA mechanics SO ANNUAL REVIEW OF BIOMEDICAL ENGINEERING SE ANNUAL REVIEW OF BIOMEDICAL ENGINEERING LA English DT Review; Book Chapter DE DNA topology; DNA supercoiling; DNA modeling; equilibria; dynamics ID CLOSED CIRCULAR DNA; POLYOMA VIRAL DNA; SUPERCOILED DNA; BROWNIAN DYNAMICS; FREE-ENERGY; COMPUTER-SIMULATION; ELASTIC STABILITY; ESCHERICHIA-COLI; WORMLIKE COILS; LINKING NUMBER AB We review the history of DNA mechanics and its analysis. We evaluate several methods to analyze the structures of superhelical DNA molecules, each predicated on the assumption that DNA can be modeled with reasonable accuracy as an extended, linearly elastic polymer. Three main approaches are considered: mechanical equilibrium methods, which seek to compute minimum energy conformations of topologically constrained molecules; statistical mechanical methods, which seek to compute the Boltzmann distribution of equilibrium conformations that arise in a finite temperature environment; and dynamic methods, which seek to compute deterministic trajectories of the helix axis by solving equations of motion. When these methods include forces of self-contact, which prevent strand passage and preserve the topological constraint, each predicts plectonemically interwound structures. On the other hand, the extent to which these mechanical methods reliably predict energetic and thermodynamic properties of superhelical molecules is limited, in part because of their inability to account explicitly for interactions involving solvent. Monte Carlo methods predict the entropy associated with supercoiling to be negative, in conflict with a body of experimental evidence that finds it is large and positive, as would be the case if superhelical deformations significantly disrupt the ordering of ambient solvent molecules. This suggests that the large-scale conformational properties predicted by elastomechanical models are not the only ones determining the energetics and thermodynamics of supercoiling. Moreover, because all such models that preserve the topological constraint correctly predict plectonemic interwinding, despite these and other limitations, this constraint evidently dominates energetic and thermodynamic factors in determining supercoil geometry. Therefore, agreement between predicted structures and structures obtained experimentally, for example, by electron microscopy, does not in itself provide evidence for the correctness or completeness of any given model of DNA mechanics. C1 Univ Calif Davis, Genome Ctr, Davis, CA 95616 USA. Univ Calif Davis, Biophys Grad Grp, Davis, CA 95616 USA. Lawrence Livermore Natl Lab, Div Biomed, Biosci Directorate, Livermore, CA 94551 USA. RP Univ Calif Davis, Genome Ctr, Davis, CA 95616 USA. EM cjbenham@ucdavis.edu RI Benham, Craig/G-1512-2013 FU NHGRI NIH HHS [R01 HG 01973]; NIGMS NIH HHS [R01 GM 68903] NR 97 TC 46 Z9 48 U1 10 U2 31 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0139 USA SN 1523-9829 EI 1545-4274 J9 ANNU REV BIOMED ENG JI Annu. Rev. Biomed. Eng. PY 2005 VL 7 BP 21 EP 53 DI 10.1146/annurev.bioeng.6.062403.132016 PG 33 WC Engineering, Biomedical SC Engineering GA 959JE UT WOS:000231513200002 PM 16004565 ER PT S AU Alivisatos, AP Gu, WW Larabell, C AF Alivisatos, AP Gu, WW Larabell, C TI Quantum dots as cellular probes SO ANNUAL REVIEW OF BIOMEDICAL ENGINEERING SE ANNUAL REVIEW OF BIOMEDICAL ENGINEERING LA English DT Review; Book Chapter DE semiconductor nanocrystals; nanoparticles; fluorescent probing; imaging; biological application ID RESONANCE ENERGY-TRANSFER; IN-SITU HYBRIDIZATION; TUMOR-CELLS; PHAGOKINETIC TRACKS; SEMICONDUCTOR NANOCRYSTALS; FLUORESCENT NANOCRYSTALS; SURFACE MODIFICATION; BIOLOGICAL DETECTION; RECOMBINANT PROTEIN; LUMINESCENT PROBES AB Robust and bright light emitters, semiconductor nanocrystals [quantum dots (QDs)] have been adopted as a new class of fluorescent labels. Six years after the first experiments of their uses in biological applications, there have been dramatic improvements in understanding surface chemistry, biocompatibility, and targeting specificity. Many studies have shown the great potential of using quantum dots as new probes in vitro and in vivo. This review summarizes the recent advances of quantum dot usage at the cellular level, including immunolabeling, cell tracking, in situ hybridization, FRET, in vivo imaging, and other related technologies. Limitations and potential future uses of quantum dot probes are also discussed. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Calif San Francisco, Dept Anat, San Francisco, CA 94143 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Alivisatos, AP (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM alivis@uclink4.berkeley.edu; wwgu@lbl.gov; larabell@lbl.gov RI Alivisatos , Paul /N-8863-2015 OI Alivisatos , Paul /0000-0001-6895-9048 NR 94 TC 913 Z9 951 U1 34 U2 301 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0139 USA SN 1523-9829 BN 978-0-8243-3507-6 J9 ANNU REV BIOMED ENG JI Annu. Rev. Biomed. Eng. PY 2005 VL 7 BP 55 EP 76 DI 10.1146/annurev.bioeng.7.060804.100432 PG 26 WC Engineering, Biomedical SC Engineering GA 959JE UT WOS:000231513200003 PM 16004566 ER PT J AU Varela, M Lupini, AR van Benthem, K Borisevich, AY Chisholm, MF Shibata, N Abe, E Pennycook, SJ AF Varela, M Lupini, AR van Benthem, K Borisevich, AY Chisholm, MF Shibata, N Abe, E Pennycook, SJ TI Materials characterization in the aberration-corrected scanning transmission electron microscope SO ANNUAL REVIEW OF MATERIALS RESEARCH SE Annual Review of Materials Research LA English DT Review; Book Chapter DE Z-contrast microscopy; electron energy loss spectroscopy; nanotechnology; complex oxides; catalysis; semiconductors ID NEAR-EDGE STRUCTURE; METAL-CERAMIC INTERFACES; ENERGY-LOSS SPECTROSCOPY; CHARGED-PARTICLE LENSES; LATTICE-RESOLUTION CONTRAST; SILICON-NITRIDE CERAMICS; SPHERICAL-ABERRATION; RARE-EARTH; INELASTIC-SCATTERING; TRANSITION-METALS AB In the nanoscience era, the properties of many exciting new materials and devices will depend on the details of their composition down to the level of single atoms. Thus the characterization of the structure and electronic properties of matter at the atomic scale is becoming ever more vital for economic and technological as well as for scientific reasons. The combination of atomic-resolution Z-contrast scanning transmission electron microscopy (STEM) and electron energy loss spectroscopy (EELS) represents a powerful method to link the atomic and electronic structure to macroscopic properties, allowing materials, nanoscale systems, and interfaces to be probed in unprecedented detail. Z-contrast STEM uses electrons that have been scattered to large angles for imaging. The relative intensity of each atomic column is roughly proportional to Z(2), where Z is the atomic number. Recent developments in correcting the aberrations of the lenses in the electron microscope have pushed the achievable spatial resolution and the sensitivity for imaging and spectroscopy in the STEM into the sub-angstrom ngstrom (sub-angstrom) regime, providing a new level of insight into the structure/property relations of complex materials. Images acquired with an aberration-corrected instrument show greatly improved contrast. The signal-to-noise ratio is sufficiently high to allow sensitivity even to single atoms in both imaging and spectroscopy. This is a key achievement because the detection and measurement of the response of individual atoms has become a challenging issue to provide new insight into many fields, such as catalysis, ceramic materials, complex oxide interfaces, or grain boundaries. In this article, the state-of-the-art for the characterization of all of these different types of materials by means of aberration-corrected STEM and EELS are reviewed. C1 Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. Univ Tokyo, Inst Engn Innovat, Tokyo 1138656, Japan. Univ Tokyo, Dept Mat Engn, Bunkyo Ku, Tokyo 1138656, Japan. RP Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. EM mvarela@ornl.gov; arl1000@ornl.gov; Benthem@ornl.gov; albinab@ornl.gov; chisholmmf@ornl.gov; shibata@sigma.t.u-tokyo.ac.jp; abe@material.t.u-tokyo.ac.jp; pennycooksj@ornl.gov RI Varela, Maria/H-2648-2012; Shibata, Naoya/E-5327-2013; Borisevich, Albina/B-1624-2009; Varela, Maria/E-2472-2014 OI Borisevich, Albina/0000-0002-3953-8460; Varela, Maria/0000-0002-6582-7004 NR 132 TC 116 Z9 117 U1 12 U2 123 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0139 USA SN 1531-7331 J9 ANNU REV MATER RES JI Ann. Rev. Mater. Res. PY 2005 VL 35 BP 539 EP 569 DI 10.1146/annurev.matsci.35.102103.090513 PG 43 WC Materials Science, Multidisciplinary SC Materials Science GA 956SX UT WOS:000231321200019 ER PT J AU Klein, JR Roodman, A AF Klein, JR Roodman, A TI Blind analysis in nuclear and particle physics SO ANNUAL REVIEW OF NUCLEAR AND PARTICLE SCIENCE SE Annual Review of Nuclear and Particle Science LA English DT Review; Book Chapter DE blind analysis; experimenter's bias; experimental methods; systematic errors ID RESONANT STATES; ELEMENTARY PARTICLES; FREE-NEUTRON; HALF-LIFE; DECAYS AB During the past decade, blind analysis has become a widely used tool in nuclear and particle physics measurements. A blind analysis avoids the possibility of experimenters biasing their result toward their own preconceptions by preventing them from knowing the answer until the analysis is complete. There is at least circumstantial evidence that such a bias has affected past measurements, and as experiments have become costlier and more difficult and hence harder to reproduce, the possibility of bias has become a more important issue than in the past. We describe here the motivations for performing a blind analysis, and give several modern examples of successful blind analysis strategies. C1 Univ Texas, Dept Phys, Austin, TX 78712 USA. Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. RP Univ Texas, Dept Phys, Austin, TX 78712 USA. EM jrk@physics.utexas.edu; roodman@slac.stanford.edu NR 59 TC 29 Z9 29 U1 0 U2 6 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0139 USA SN 0163-8998 J9 ANNU REV NUCL PART S JI Annu. Rev. Nucl. Part. Sci. PY 2005 VL 55 BP 141 EP 163 DI 10.1146/annurev.nucl.55.090704.151521 PG 27 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 995HR UT WOS:000234091900004 ER PT J AU Deshpande, A Milner, R Venugopalan, R Vogelsang, W AF Deshpande, A Milner, R Venugopalan, R Vogelsang, W TI Study of the fundamental structure of matter with an electron-ion collider SO ANNUAL REVIEW OF NUCLEAR AND PARTICLE SCIENCE SE Annual Review of Nuclear and Particle Science LA English DT Review; Book Chapter DE quantum chromodynamics; DIS structure functions; polarized ep scattering; nucleon spin; DIS off nuclei; saturation; color glass condensate; EIC; eRHIC ID DEEP-INELASTIC-SCATTERING; COLOR GLASS CONDENSATE; VIRTUAL COMPTON-SCATTERING; TO-LEADING ORDER; GENERALIZED PARTON DISTRIBUTIONS; POLARIZED STRUCTURE FUNCTIONS; SINGLE-SPIN ASYMMETRIES; STRUCTURE-FUNCTION G(1); DEUTERON STRUCTURE FUNCTIONS; FINAL-STATE INTERACTIONS AB We present an overview of the scientific opportunities that would be offered by a high-energy electron-ion collider. We discuss the relevant physics of polarized and unpolarized electron-proton collisions and of electron-nucleus collisions. We also describe the current accelerator and detector plans for a future electron-ion collider. C1 SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. RIKEN, BNL Res Ctr, Brookhaven Natl Lab, Upton, NY 11973 USA. MIT, Dept Phys, Cambridge, MA 02139 USA. MIT, Nucl Sci Lab, Cambridge, MA 02139 USA. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. EM abhay@bnl.gov; milner@mit.edu; raju@quark.phy.bnl.gov; vogelsan@quark.phy.bnl.gov NR 457 TC 103 Z9 103 U1 2 U2 4 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0139 USA SN 0163-8998 J9 ANNU REV NUCL PART S JI Annu. Rev. Nucl. Part. Sci. PY 2005 VL 55 BP 165 EP 228 DI 10.1146/annurev.nucl.54.070103.181218 PG 76 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 995HR UT WOS:000234091900005 ER PT J AU Bertulani, CA Klein, SR Nystrand, J AF Bertulani, CA Klein, SR Nystrand, J TI Physics of ultra-peripheral nuclear collisions SO ANNUAL REVIEW OF NUCLEAR AND PARTICLE SCIENCE SE Annual Review of Nuclear and Particle Science LA English DT Review; Book Chapter DE nuclear collisions; relativistic; heavy ions; virtual photons; particle production; nuclear fragmentation; two-photon reactions; photonuclear reactions ID HEAVY-ION COLLISIONS; POSITRON PAIR PRODUCTION; GIANT-DIPOLE RESONANCE; IMPACT-PARAMETER DEPENDENCE; VECTOR-MESON PRODUCTION; GAMMA-GAMMA-PRODUCTION; PHOTON-GLUON FUSION; ELECTROMAGNETIC-EXCITATION; PARTICLE-PRODUCTION; COULOMB-EXCITATION AB Moving highly-charged ions carry strong electromagnetic fields that act as a beam of photons. In collisions at large impact parameters, hadronic interactions are not possible, and the ions interact through photon-ion and photon-photon collisions known as ultra-peripheral collisions (UPCs). Hadron colliders like the Relativistic Heavy Ion Collider (RHIC), the Tevatron, and the Large Hadron Collider (LHC) produce photonuclear and two-photon interactions at luminosities and energies beyond that accessible elsewhere; the LHC will reach a gamma rho energy ten times that of the Hadron-Electron Ring Accelerator (HERA). Reactions as diverse as the production of anti-hydrogen, photoproduction of the rho(0), transmutation of lead into bismuth, and excitation of collective nuclear resonances have already been studied. At the LHC, UPCs can study many types of new physics processes. C1 Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. Univ Bergen, Dept Phys & Technol, N-5007 Bergen, Norway. RP Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. EM bertularti@physics.arizona.edu; srklein@lbl.gov; joakim.nystrand@ift.uib.no NR 179 TC 153 Z9 153 U1 0 U2 10 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0139 USA SN 0163-8998 J9 ANNU REV NUCL PART S JI Annu. Rev. Nucl. Part. Sci. PY 2005 VL 55 BP 271 EP 310 DI 10.1146/annurev.nucl.55.090704.151526 PG 40 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 995HR UT WOS:000234091900007 ER PT S AU Frankfurt, L Strikman, M Weiss, C AF Frankfurt, L Strikman, M Weiss, C TI Small-x physics: From HERA to LHC and beyond SO ANNUAL REVIEW OF NUCLEAR AND PARTICLE SCIENCE SE Annual Review of Nuclear and Particle Science LA English DT Review; Book Chapter DE diffraction; hadronic final states; high-energy scattering; quantum chromodynamics ID VIRTUAL COMPTON-SCATTERING; DEEP-INELASTIC SCATTERING; HIGH-ENERGY SCATTERING; TOTAL CROSS-SECTIONS; DIFFRACTIVE PRODUCTION; PARTON DISTRIBUTIONS; GAUGE THEORIES; EXCLUSIVE ELECTROPRODUCTION; MESON ELECTROPRODUCTION; VACUUM SINGULARITY AB We summarize the lessons learned from studies of hard scattering processes in high-energy electron-proton collisions at HERA and antiproton-proton collisions at the Tevatron, with the aim of predicting new strong interaction phenomena observable in next-generation experiments at the Large Hadron Collider (LHC). Processes reviewed include inclusive deep-inelastic scattering (DIS) at small x, exclusive and diffractive processes in DIS and hadron-hadron scattering, as well as color transparency and nuclear shadowing effects. A unified treatment of these processes is outlined on the basis of factorization theorems of quantum chromodynamics, and using the correspondence between the "parton" picture in the infinite-momentum frame and the "dipole" picture of high-energy processes in the target rest frame. The crucial role of the three dimensional quark and gluon structure of the nucleon is emphasized. A new dynamical effect predicted at high energies is the unitarity, or black disk, limit (BDL) in the interaction of small dipoles with hadronic matter, owing to the increase of the gluon density at small x. This effect is marginally visible in diffractive DIS at HERA and will lead to the complete disappearance of Bjorken scaling at higher energies. In hadron-hadron scattering at LHC energies and beyond (cosmic ray physics), the BDL will be a standard feature of the dynamics, with implications for (a) hadron production at forward and central rapidities in central proton-proton and proton-nucleus collisions, in particular events with heavy particle production (Higgs), (b) proton-proton elastic scattering, and (c) heavy-ion collisions. We also outline the possibilities for studies of diffractive processes and photon-induced reactions (ultraperipheral collisions) at LHC, as well as possible measurements with a future electron-ion collider. C1 Tel Aviv Univ, Sch Phys & Astron, IL-69978 Tel Aviv, Israel. Penn State Univ, Dept Phys, University Pk, PA 16802 USA. Theory Grp, Jefferson Lab, Newport News, VA 23606 USA. RP Frankfurt, L (reprint author), Tel Aviv Univ, Sch Phys & Astron, IL-69978 Tel Aviv, Israel. EM frankfur@lev.tau.ac.il; strikman@phys.psu.edu; weiss@jlab.org NR 145 TC 76 Z9 76 U1 1 U2 3 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0139 USA SN 0163-8998 BN 978-0-8243-1555-9 J9 ANNU REV NUCL PART S JI Annu. Rev. Nucl. Part. Sci. PY 2005 VL 55 BP 403 EP 465 DI 10.1146/annurev.nucl.53.041002.110615 PG 67 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 995HR UT WOS:000234091900010 ER PT S AU Mezzacappa, A AF Mezzacappa, A TI Ascertaining the core collapse supernova mechanism: The state of the art and the road ahead SO ANNUAL REVIEW OF NUCLEAR AND PARTICLE SCIENCE SE Annual Review of Nuclear and Particle Science LA English DT Review; Book Chapter DE supernovae; neutrinos; hydrodynamics; magnetohydrodynamics; equations of state ID WEAK-INTERACTION RATES; BOLTZMANN NEUTRINO TRANSPORT; INTERMEDIATE-MASS NUCLEI; RADIATION HYDRODYNAMICS; GRAVITATIONAL COLLAPSE; STELLAR COLLAPSE; DRIVEN CONVECTION; ELECTRON-CAPTURE; NUMERICAL-MODEL; HIGH-DENSITIES AB More than four decades have elapsed since modeling of the core collapse supernova mechanism began in earnest. To date, the mechanism remains elusive, at least in detail, although significant progress has been made in understanding these multiscale, multiphysics events. One-, two-, and three-dimensional simulations of or relevant to core collapse supernovae have shown that (a) neutrino transport, (b) fluid instabilities, (c) rotation, and (d) magnetic fields, together with proper treatments of (e) the sub- and super- nuclear density stellar core equation of state, (f) the neutrino interactions, and (g) gravity are all important. The importance of these ingredients applies to both the explosion mechanism and to phenomena directly associated with the mechanism, such as neutron star kicks, supernova neutrino and gravitational wave emission, and supernova spectropolarimetry. Not surprisingly, current two- and three-dimensional models have yet to include (a)-(d) with sufficient realism. One-dimensional spherically symmetric models have achieved a significant level of sophistication but, by definition, cannot incorporate (b)-(d), except phenomenologically. Fully general relativistic spherically symmetric simulations with Boltzmann neutrino transport do not yield explosions, demonstrating that some combination of (b), (c), and (d) is required to achieve this. Systematic layering of the dimensionality and the physics will be needed to achieve a complete understanding of the supernova mechanism and phenomenology. The past modeling efforts alluded to above have illuminated that core collapse supernovae may be neutrino driven, magnetohydrodynamically (MHD) driven, or both, but uncertainties in the current models prevent us from being able to answer even this most basic question. And it may be that more than one possibility is realized in nature. Nonetheless, if a supernova is neutrino driven, magnetic fields will likely have an impact on the dynamics of the explosion. Similarly, if a supernova is MHD driven, the neutrino transport will dictate the dynamics of stellar core collapse, bounce, and the postbounce evolution, which in turn will create the environment in which an MHD-driven explosion would occur. Thus, although reduction will allow us to sort out the roles of each of the major physics components listed above, we will not obtain a quantitative, and perhaps even qualitative, understanding of core collapse supernovae until all components and their coupling are included in the models with sufficient realism. C1 Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RP Mezzacappa, A (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. EM mezzacappaa@ornl.gov RI Mezzacappa, Anthony/B-3163-2017 OI Mezzacappa, Anthony/0000-0001-9816-9741 NR 114 TC 71 Z9 73 U1 0 U2 2 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0139 USA SN 0163-8998 BN 978-0-8243-1555-9 J9 ANNU REV NUCL PART S JI Annu. Rev. Nucl. Part. Sci. PY 2005 VL 55 BP 467 EP 515 DI 10.1146/annurev.nucl.55.090704.151608 PG 57 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 995HR UT WOS:000234091900011 ER PT S AU Stankus, P AF Stankus, P TI Direct photon production in relativistic heavy-ion collisions SO ANNUAL REVIEW OF NUCLEAR AND PARTICLE SCIENCE SE Annual Review of Nuclear and Particle Science LA English DT Review; Book Chapter DE thermal; QCD; QGP; radiation; plasma ID QUARK-GLUON PLASMA; NUCLEUS-NUCLEUS COLLISIONS; HADRON PHASE-TRANSITION; COLOR GLASS CONDENSATE; FINITE-TEMPERATURE; S+AU COLLISIONS; PB-208+PB-208 COLLISIONS; THERMAL PHOTONS; SINGLE-PHOTON; HARD PHOTON AB We examine the uses of direct photons in diagnosing the highly excited state of nuclear matter created in high-energy nuclear collisions. The traditional focus has been on direct photons as thermal radiation from the excited state, but we also explore the many other roles direct photons can play. We review experimental and theoretical techniques as well as the history of direct photon measurements in heavyion collisions and their interpretation. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Stankus, P (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM stankus@mail.phy.ornl.gov NR 102 TC 32 Z9 32 U1 0 U2 1 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0139 USA SN 0163-8998 BN 978-0-8243-1555-9 J9 ANNU REV NUCL PART S JI Annu. Rev. Nucl. Part. Sci. PY 2005 VL 55 BP 517 EP 554 DI 10.1146/annurev.nucl.53.041002.110533 PG 42 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 995HR UT WOS:000234091900012 ER PT S AU Chen, LX AF Chen, LX TI Probing transient molecular structures in photochemical processes using laser-initiated time-resolved X-ray absorption spectroscopy SO ANNUAL REVIEW OF PHYSICAL CHEMISTRY SE Annual Review of Physical Chemistry LA English DT Review; Book Chapter DE excited state structures; ultrafast X-ray studies; pump-probe technique ID RESONANCE RAMAN-SPECTROSCOPY; TRANSITION-METAL-COMPLEXES; FINE-STRUCTURE TECHNIQUE; CHARGE-TRANSFER STATES; BENT LAUE ANALYZER; EXCITED-STATE; EXCIPLEX FORMATION; SYNCHROTRON-RADIATION; COPPER(II) PORPHYRINS; ELECTRON-TRANSFER AB Molecular structures' during chemical processes are crucial for predicting molecular reactivity and reaction mechanisms. Using a laser pulse as an internal clock for starting fundamental chemical processes, molecular structural dynamics can be characterized by coherent vibrational motions and by incoherent transitions between different intermediate states. Recent developments in pulsed X-ray facilities allow structural determination of discrete excited states and reaction intermediates using laser-initiated time-resolved X-ray absorption spectroscopy (LITR-XAS). Moreover, femtosecond X-ray sources have begun making significant contributions in monitoring coherent molecular motions. This review summarizes recent developments in the field, including technical and scientific challenges as well as several examples involving excited state. molecular structure and electronic configuration determinations. Future applications of this technique with high time resolution will enable visualization of fundamental chemical events in many systems and further our understanding in photochemistry. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Chen, LX (reprint author), Argonne Natl Lab, Div Chem, 9700 S Cass Ave, Argonne, IL 60439 USA. EM lchen@anl.gov NR 155 TC 109 Z9 110 U1 6 U2 47 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0139 USA SN 0066-426X BN 978-0-8243-1056-1 J9 ANNU REV PHYS CHEM JI Annu. Rev. Phys. Chem. PY 2005 VL 56 BP 221 EP 254 DI 10.1146/annurev.physchem.56.092503.141310 PG 38 WC Chemistry, Physical SC Chemistry GA 954VX UT WOS:000231184400009 PM 15796701 ER PT S AU Pratt, ST AF Pratt, ST TI Vibrational autoionization in polyatomic molecules SO ANNUAL REVIEW OF PHYSICAL CHEMISTRY SE Annual Review of Physical Chemistry LA English DT Review; Book Chapter DE molecular photoionization; nonadiabatic effects ID QUANTUM-DEFECT THEORY; TRIPLE-RESONANCE SPECTROSCOPY; HIGHER EXCITED-STATES; ELECTRONIC EMISSION-SPECTRUM; JET-COOLED ANILINE; TRIATOMIC HYDROGEN; RYDBERG SERIES; THRESHOLD PHOTOIONIZATION; HIGH-RESOLUTION; PHOTOELECTRON-SPECTROSCOPY AB The vibrationally autoionizing Rydberg states of small polyatomic molecules provide a fascinating laboratory in which to study fundamental nonadiabatic processes. In this review, recent results on the vibrational mode dependence of vibrational autoionization are discussed. In general, autoionization rates depend strongly on the character of the normal mode driving the process and on the electronic character of the Rydberg electron. Although quantitative calculations based on multichannel quantum defect theory are available for some polyatomic molecules, including H(3), only qualitative information exists for most molecules. This review shows how qualitative information, such as Walsh diagrams along different normal coordinates of the molecule, can provide insight into the vibrational autoionization rates. C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Pratt, ST (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM stpratt@anl.gov NR 94 TC 20 Z9 20 U1 1 U2 10 PU ANNUAL REVIEWS PI PALO ALTO PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0139 USA SN 0066-426X BN 978-0-8243-1056-1 J9 ANNU REV PHYS CHEM JI Annu. Rev. Phys. Chem. PY 2005 VL 56 BP 281 EP 308 DI 10.1146/annurev.physchem.56.092503.141204 PG 28 WC Chemistry, Physical SC Chemistry GA 954VX UT WOS:000231184400011 PM 15796702 ER PT J AU Hayden, F Klimov, A Tashiro, M Hay, A Monto, A McKimm-Breschkin, J Macken, C Hampson, A Webster, RG Amyord, M Zambon, M AF Hayden, F Klimov, A Tashiro, M Hay, A Monto, A McKimm-Breschkin, J Macken, C Hampson, A Webster, RG Amyord, M Zambon, M TI Neuraminidase inhibitor susceptibility network position statement: antiviral resistance in influenza A/H5N1 viruses SO ANTIVIRAL THERAPY LA English DT Article ID A H5N1; OSELTAMIVIR PHOSPHATE; DISEASE AB The emerging epidemic of H5N1 avian influenza virus with spillover into the human population in Asia has provoked intense concern globally about the potential of these particularly pathogenic viruses to evolve with the capacity for human-to-human transmission with a consequent pandemic. The availability of antiviral drugs with activity against influenza A viruses and the recognition of drug-resistant variants to these drugs prompted the following report by a select group of the global experts - members of the Neuraminidase Inhibitor Susceptibility Network - on the best use of the available drugs, both for prophylaxis and treatment. The editors of Antiviral Therapy are pleased to be able to provide this document in an expeditious manner. C1 Univ Virginia, Sch Med, Dept Internal Med, Div Infect Dis & Int Hlth, Charlottesville, VA 22908 USA. Ctr Dis Control, Strain Surveillance Sect, Atlanta, GA 30333 USA. Natl Inst Infect Dis, Tokyo, Japan. MRC, Natl Inst Med Res, London, England. Univ Michigan, Sch Publ Hlth, Ann Arbor, MI 48109 USA. CSIRO, Div Hlth Sci & Nutr, Melbourne, Vic, Australia. Los Alamos Natl Lab, Los Alamos, NM 87544 USA. WHO, Collaborating Ctr Influenza Reference & Res, Melbourne, Vic, Australia. St Jude Childrens Hosp, Memphis, TN 38105 USA. Univ Lyon 1, F-69365 Lyon, France. Hlth Protect Acgy, London, England. RP Hayden, F (reprint author), Univ Virginia, Sch Med, Dept Internal Med, Div Infect Dis & Int Hlth, Charlottesville, VA 22908 USA. EM FGH@Virginia.edu RI McKimm-Breschkin, Jennifer/D-1880-2013 NR 26 TC 47 Z9 49 U1 0 U2 0 PU INT MEDICAL PRESS LTD PI LONDON PA 2-4 IDOL LANE, LONDON EC3R 5DD, ENGLAND SN 1359-6535 J9 ANTIVIR THER JI Antivir. Ther. PY 2005 VL 10 IS 8 BP 873 EP 877 PG 5 WC Infectious Diseases; Pharmacology & Pharmacy; Virology SC Infectious Diseases; Pharmacology & Pharmacy; Virology GA 009SN UT WOS:000235133100001 PM 16430192 ER PT J AU de Vijver, DV Wensing, AMJ Angarano, G Asjo, B Balotta, C Boeri, E Camacho, R Chaix, ML Costagliola, D de Coul, ELMO de Luca, A Maljkovic, I de Mendoza, C Derdelinckx, I Grossman, Z Hamouda, O Hatzakis, A Hoepelman, IM Hemmer, R Horban, A Korn, K Kucherer, C Leitner, T Loveday, C MacRae, E Meyer, L Nielsen, C Ormaasen, V Perrin, L Paraskevis, D Puchhammer-Stockl, E Ruiz, L Salminen, M Schmit, JCC Schneider, F Schuurman, R Soriano, V Stanczak, G Stanojevic, M Vandamme, AM Van Laethem, K Violin, M Wilbe, K Yerly, S Zazzi, M Boucher, CAB AF de Vijver, DV Wensing, AMJ Angarano, G Asjo, B Balotta, C Boeri, E Camacho, R Chaix, ML Costagliola, D de Coul, ELMO de Luca, A Maljkovic, I de Mendoza, C Derdelinckx, I Grossman, Z Hamouda, O Hatzakis, A Hoepelman, IM Hemmer, R Horban, A Korn, K Kucherer, C Leitner, T Loveday, C MacRae, E Meyer, L Nielsen, C Ormaasen, V Perrin, L Paraskevis, D Puchhammer-Stockl, E Ruiz, L Salminen, M Schmit, JCC Schneider, F Schuurman, R Soriano, V Stanczak, G Stanojevic, M Vandamme, AM Van Laethem, K Violin, M Wilbe, K Yerly, S Zazzi, M Boucher, CAB CA SPREAD Programme TI Differences in the frequency of minor substitutions between HIV-1 subtypes and their potential impact on the genetic barrier for resistance to protease inhibitors SO ANTIVIRAL THERAPY LA English DT Meeting Abstract CT 14th International HIV Drug Resistance Workshop CY JUN 07-11, 2005 CL Quebec City, CANADA C1 Univ Utrecht, Med Ctr, Eijkman Winkler Inst, Utrecht, Netherlands. Univ Utrecht, Med Ctr, Dept Internal Med, Utrecht, Netherlands. Univ Foggia, Foggia, Italy. Univ Bergen, Bergen, Norway. Univ Milan, Milan, Italy. Diagnost & Ric San Raffaele, Milan, Italy. Hosp Egas Moniz, Lisbon, Portugal. Hop Necker Enfants Malad, Virol Lab, Paris, France. CHU Pitie Salpetriere, INSERM, U720, Paris, France. Natl Inst Publ Hlth & Environm, NL-3720 BA Bilthoven, Netherlands. Catholic Univ, Inst Clin Infect Dis, Rome, Italy. Swedish Inst Infect Dis Control, Solna, Sweden. Hosp Carlos 3, Madrid, Spain. Katholieke Univ Leuven, Rega Inst, Louvain, Belgium. Chaim Sheba Med Ctr, IL-52621 Tel Hashomer, Israel. Robert Koch Inst, D-1000 Berlin, Germany. Univ Athens, Sch Med, GR-11527 Athens, Greece. Ctr Hosp Luxembourg, Luxembourg, Luxembourg. Hosp Infect Dis, Warsaw, Poland. AIDS Diagnosis & Therapy Ctr, Warsaw, Poland. Univ Erlangen Nurnberg, Erlangen, Germany. Los Alamos Natl Lab, Los Alamos, NM USA. INSERM, U569, F-94275 Le Kremlin Bicetre, France. Statens Serum Inst, DK-2300 Copenhagen, Denmark. Ullevaal Univ Hosp, Oslo, Norway. Univ Hosp Geneva, Geneva, Switzerland. Univ Vienna, Vienna, Austria. IRSICAIXA Fdn, Retrovirol Lab, Badalona, Spain. Natl Publ Hlth Inst, Helsinki, Finland. Univ Belgrade, Belgrade, Serbia Monteneg. Univ Siena, I-53100 Siena, Italy. RI wensing, a.m.j./F-3005-2011; Vandamme, Anne Mieke/I-4127-2012; Camacho, Ricardo/I-7629-2012 OI Vandamme, Anne Mieke/0000-0002-6594-2766; Camacho, Ricardo/0000-0002-9129-3237 NR 0 TC 0 Z9 0 U1 0 U2 3 PU INT MEDICAL PRESS LTD PI LONDON PA 2-4 IDOL LANE, LONDON EC3R 5DD, ENGLAND SN 1359-6535 J9 ANTIVIR THER JI Antivir. Ther. PY 2005 VL 10 SU 1 BP S145 EP S145 PG 1 WC Infectious Diseases; Pharmacology & Pharmacy; Virology SC Infectious Diseases; Pharmacology & Pharmacy; Virology GA 972RL UT WOS:000232470800135 ER PT J AU van de Vijver, DAMC Wensing, AMJ Angarano, G Asjo, B Balotta, C Boeri, E Camacho, R Chaix, ML Costagliola, D de Coul, ELMO de Luca, A Maljkovic, I de Mendoza, C Derdelinckx, I Grossman, Z Hamouda, O Hatzakis, A Hoepelman, IM Hemmer, R Horban, A Korn, K Kucherer, C Leitner, T Loveday, C MacRae, E Meyer, L Nielsen, C Ormaasen, V Perrin, L Paraskevis, D Puchhammer-Stockl, E Ruiz, L Salminen, M Schmit, JCC Schneider, F Schuurman, R Soriano, V Stanczak, G Stanojevic, M Vandamme, AM Van Laethem, K Violin, M Wilbe, K Yerly, S Zazzi, M Boucher, CAB AF van de Vijver, DAMC Wensing, AMJ Angarano, G Asjo, B Balotta, C Boeri, E Camacho, R Chaix, ML Costagliola, D de Coul, ELMO de Luca, A Maljkovic, I de Mendoza, C Derdelinckx, I Grossman, Z Hamouda, O Hatzakis, A Hoepelman, IM Hemmer, R Horban, A Korn, K Kucherer, C Leitner, T Loveday, C MacRae, E Meyer, L Nielsen, C Ormaasen, V Perrin, L Paraskevis, D Puchhammer-Stockl, E Ruiz, L Salminen, M Schmit, JCC Schneider, F Schuurman, R Soriano, V Stanczak, G Stanojevic, M Vandamme, AM Van Laethem, K Violin, M Wilbe, K Yerly, S Zazzi, M Boucher, CAB CA SPREAD Programme TI Differences in the frequency of minor substitutions between HIV-1 subtypes and their potential impact on the genetic barrier for resistance to protease inhibitors SO ANTIVIRAL THERAPY LA English DT Meeting Abstract CT 14th International HIV Drug Resistance Workshop CY JUN 07-11, 2005 CL Quebec City, CANADA C1 Univ Utrecht, Med Ctr, Dept Virol, Eijkman Winkler Inst, Utrecht, Netherlands. Univ Utrecht, Med Ctr, Dept Internal Med, Utrecht, Netherlands. Univ Foggia, Foggia, Italy. Univ Bergen, Bergen, Norway. Univ Milan, Milan, Italy. Diagnost & Ric San Raffaele, Milan, Italy. Hosp Egas Moniz, Lisbon, Portugal. Hop Necker Enfants Malad, Virol Lab, Paris, France. CHU Pitie Salpetriere, INSERM, U720, Paris, France. Natl Inst Publ Hlth & Environm, NL-3720 BA Bilthoven, Netherlands. Univ Sacred Heart, Inst Clin Infect Dis, I-00168 Rome, Italy. Swedish Inst Infect Dis Control, Solna, Sweden. Hosp Carlos III, Madrid, Spain. Katholieke Univ Leuven, Rega Inst, Louvain, Belgium. Chaim Sheba Med Ctr, IL-52621 Tel Hashomer, Israel. Robert Koch Inst, D-1000 Berlin, Germany. Univ Athens, Sch Med, GR-11527 Athens, Greece. Ctr Hosp Luxembourg, Luxembourg, Luxembourg. Hosp Infect Dis, Warsaw, Poland. AIDS Diagnosis & Therapy Ctr, Warsaw, Poland. Univ Erlangen Nurnberg, Erlangen, Germany. Los Alamos Natl Lab, Los Alamos, NM USA. INSERM, U569, Le Kremlin Bicetre, France. State Serum Inst, Copenhagen, Denmark. Ullevaal Univ Hosp, Oslo, Norway. Univ Hosp Geneva, Geneva, Switzerland. Univ Vienna, Vienna, Austria. IRSICAIXA Fdn, Retrovirol Lab, Badalona, Spain. Natl Publ Hlth Inst, Helsinki, Finland. Univ Belgrade, Belgrade, Serbia Monteneg. Univ Siena, I-53100 Siena, Italy. RI wensing, a.m.j./F-3005-2011; Vandamme, Anne Mieke/I-4127-2012; Salminen, Mika/D-8784-2013; Camacho, Ricardo/I-7629-2012 OI Vandamme, Anne Mieke/0000-0002-6594-2766; Salminen, Mika/0000-0003-3020-0866; Camacho, Ricardo/0000-0002-9129-3237 NR 0 TC 6 Z9 6 U1 0 U2 2 PU INT MEDICAL PRESS LTD PI LONDON PA 2-4 IDOL LANE, LONDON EC3R 5DD, ENGLAND SN 1359-6535 J9 ANTIVIR THER JI Antivir. Ther. PY 2005 VL 10 IS 4 MA 132 BP S145 EP S145 PG 1 WC Infectious Diseases; Pharmacology & Pharmacy; Virology SC Infectious Diseases; Pharmacology & Pharmacy; Virology GA 965PQ UT WOS:000231963100148 ER PT B AU Chinthavali, MS Ozpineci, B Tolbert, LA AF Chinthavali, MS Ozpineci, B Tolbert, LA GP IEEE TI High-temperature and high-frequency performance evaluation of 4H-SiC unipolar power devices SO APEC 2005: Twentieth Annual IEEE Applied Power Electronics Conference and Exposition, Vols 1-3 SE Annual IEEE Conference on Applied Power Electronics Conference and Exposition (APEC) LA English DT Proceedings Paper CT 20th Annual IEEE Applied Power Electronics Conference (APEC 2005) CY MAR 06-10, 2005 CL Austin, TX SP IEEE, Power Sources Manufacturers Assoc, IEEE PELS, IEEE Ind Applicat Soc ID DIODES AB Silicon carbide (SiC) unipolar devices have much higher breakdown voltages because of the ten times greater electric field strength of SiC compared with silicon (Si). 4H-SiC unipolar devices have higher switching speeds due to the higher bulk mobility of 4H-SiC compared to other polytypes. Four commercially available SiC Schottky diodes at different voltage and current ratings, an experimental VJFET, and MOSFET samples have been tested to characterize their performance at different temperatures. Their forward characteristics and switching characteristics in a temperature range of -50 degrees C to 175 degrees C are presented. The results of the SiC Schottky diodes are compared with those of a Si pn diode with comparable ratings. C1 Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37831 USA. RP Chinthavali, MS (reprint author), Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37831 USA. OI Tolbert, Leon/0000-0002-7285-609X NR 13 TC 6 Z9 6 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 0-7803-8975-1 J9 APPL POWER ELECT CO PY 2005 BP 322 EP 328 PG 7 WC Engineering, Electrical & Electronic SC Engineering GA BCF80 UT WOS:000229111500050 ER PT B AU Su, GJ Hsu, JS AF Su, GJ Hsu, JS GP IEEE TI An integrated traction and compressor drive system for EV/HEV applications SO APEC 2005: Twentieth Annual IEEE Applied Power Electronics Conference and Exposition, Vols 1-3 SE Annual IEEE Conference on Applied Power Electronics Conference and Exposition (APEC) LA English DT Proceedings Paper CT 20th Annual IEEE Applied Power Electronics Conference (APEC 2005) CY MAR 06-10, 2005 CL Austin, TX SP IEEE, Power Sources Manufacturers Assoc, IEEE PELS, IEEE Ind Applicat Soc DE EV/HEV traction drive; EV/HEV compressor drive; five-leg inverter; two-phasemotor; zero-sequence current AB This paper presents an integrated traction and compressor. drive to reduce the HVAC compressor drive cost in electric and hybrid electric vehicle (EV/HEV) applications. The drive system employs a five-leg inverter to drive a three-phase traction motor and a two-phase compressor motor. The common terminal of the two-phase motor is tied to the neutral point of the three-phase traction motor to eliminate the requirement of a third phase leg. The cost of the compressor drive can be significantly lowered due to the elimination of one phase leg and additional part count reduction made possible by sharing the switching devices, de bus filter capacitors, gate drive power supplies, and control circuit. Simulation and experimental results are included to verify that speed control of the two motors is independent from each other. C1 Oak Ridge Natl Lab, Natl Transportat Res Ctr, Knoxville, TN 37932 USA. RP Su, GJ (reprint author), Oak Ridge Natl Lab, Natl Transportat Res Ctr, 2360 Cherahala Blvd, Knoxville, TN 37932 USA. NR 8 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 0-7803-8975-1 J9 APPL POWER ELECT CO PY 2005 BP 719 EP 725 PG 7 WC Engineering, Electrical & Electronic SC Engineering GA BCF80 UT WOS:000229111501009 ER PT B AU Su, GH Peng, FZ AF Su, GH Peng, FZ GP IEEE TI A low cost, triple-voltage bus DC-DC converter for automotive applications SO APEC 2005: Twentieth Annual IEEE Applied Power Electronics Conference and Exposition, Vols 1-3 SE Annual IEEE Conference on Applied Power Electronics Conference and Exposition (APEC) LA English DT Proceedings Paper CT 20th Annual IEEE Applied Power Electronics Conference (APEC 2005) CY MAR 06-10, 2005 CL Austin, TX SP IEEE, Power Sources Manufacturers Assoc, IEEE PELS, IEEE Ind Applicat Soc DE 14V/42V/high-voltage dc/dc converter; EV/HEV dc-dc converter; powerflow control; soft-switching AB Before the automotive industry completes moving the 14V vehicle loads to the 42V net, HEVs and fuel cell vehicles will likely employ a triple voltage - 14V/42V/High-voltage (200 similar to 500V) bus system. This paper presents a low-cost, soft-switched, bidirectional dc/dc converter for connecting the three voltage nets. The converter consists of two half-brides and a high-frequency transformer, which provides voltage level matching and galvanic isolation between the two half-bridges for safety requirements. The use of dual half-bridges minimizes the number of switching devices and their associated gate drive components. Moreover, snubber capacitors and the transformer leakage inductance are utilized to achieve soft-switching. Therefore, no extra active switches or passive resonant components are required for softswitching, further reducing component count. Control of power flow among the three voltage buses is achieved by adjusting the duty. ratio and phase angle between the half-bridge output voltages. Simulation and experimental data on a 2 kW lab unit are included to verify the power flow control scheme. C1 Oak Ridge Natl Lab, Natl Transportat Res Ctr, Knoxville, TN 37932 USA. RP Su, GH (reprint author), Oak Ridge Natl Lab, Natl Transportat Res Ctr, 2360 Cherahala Blvd, Knoxville, TN 37932 USA. NR 8 TC 15 Z9 15 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 0-7803-8975-1 J9 APPL POWER ELECT CO PY 2005 BP 1015 EP 1021 PG 7 WC Engineering, Electrical & Electronic SC Engineering GA BCF80 UT WOS:000229111501054 ER PT S AU Opdahl, A Somorjai, GA AF Opdahl, A Somorjai, GA BE Batteas, JD Michaels, CA Walker, GC TI Combined atomic force microscopy and sum frequency generation vibrational spectroscopy studies of polyolefins and hydrogels at interfaces SO APPLICATIONS OF SCANNED PROBE MICROSCOPY TO POLYMERS SE ACS SYMPOSIUM SERIES LA English DT Article; Proceedings Paper CT Symposium on Applications of Scanned Probe Microscopy to Polymers held at the 214th National ACS Meeting CY MAY, 2003 CL New Orleans, LA SP Amer Chem Soc, Div Polymer Chem ID SURFACE MECHANICAL-PROPERTIES; CONTACT-LENSES; POLYSTYRENE SURFACE; POLYMER SURFACES; SIDE BRANCHES; SFG; BLENDS; WATER; POLYPROPYLENE; CONFORMATION AB AFM and sum frequency generation (SFG) vibrational spectroscopy experiments provide complementary information that can be used to relate the morphology and mechanical properties of a polymer interface to the molecular structure of the interface. The application of the two techniques to the study of polymer interface structure is presented, focusing on surface segregation and wetting behavior of polyolefin blends and on the interface structure and mechanical behavior of hydrogels exposed to various hydration conditions. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Opdahl, A (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. NR 38 TC 1 Z9 1 U1 1 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA SN 0097-6156 BN 0-8412-3883-9 J9 ACS SYM SER PY 2005 VL 897 BP 112 EP 132 DI 10.1021/bk-2005-0897.ch009 PG 21 WC Chemistry, Multidisciplinary; Microscopy; Polymer Science SC Chemistry; Microscopy; Polymer Science GA BCK43 UT WOS:000229739600009 ER PT J AU Valentine, N Wunschel, S Wunschel, D Petersen, C Wahl, K AF Valentine, N Wunschel, S Wunschel, D Petersen, C Wahl, K TI Effect of culture conditions on microorganism identification by matrix-assisted laser desorption ionization mass spectrometry SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID BACILLUS-SUBTILIS; DESORPTION/IONIZATION-TIME; EXPRESSION; BACTERIA; ACID AB Matrix-assisted laser desorption ionization-time-of-flight mass spectrometry (MALDI-TOF MS) has been used to identify bacteria based upon protein signatures. This research shows that while some different proteins are produced by vegetative bacteria when they are cultured in different growth media, positive identification with MALDI-TOF MS is still possible with the protocol established at the Pacific Northwest National Laboratory (K. H. Jarman, S. T. Cebula, A. J. Saenz, C. E. Petersen, N. B. Valentine, M. T. Kingsley, and K. L. Wahl, Anal. Chem. 72:1217-1223, 2000). A core set of small proteins remain constant under at least four different culture media conditions and blood agar plates, including minimal medium M9, rich media, tryptic soy broth (TSB) or Luria-Bertani (LB) broth, and blood agar plates, such that analysis of the intact cells by matrix-assisted laser desorption/ionization mass spectrometry allows for consistent identification. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Valentine, N (reprint author), Pacific NW Natl Lab, POB 999,Battelle Blvd,K210, Richland, WA 99352 USA. EM nancy.valentine@pnl.gov RI Wunschel, David/F-3820-2010 NR 20 TC 114 Z9 126 U1 4 U2 15 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD JAN PY 2005 VL 71 IS 1 BP 58 EP 64 DI 10.1128/AEM.71.1.58-64.2005 PG 7 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 889QZ UT WOS:000226458800006 PM 15640170 ER PT J AU Catalano, JG Warner, JA Brown, GE AF Catalano, JG Warner, JA Brown, GE TI Sorption and precipitation of Co(II) in Hanford sediments and alkaline aluminate solutions SO APPLIED GEOCHEMISTRY LA English DT Article ID RAY-ABSORPTION-SPECTROSCOPY; INCIDENCE XAFS SPECTROSCOPY; HYDROTALCITE-LIKE PHASES; THERMODYNAMIC STABILITY; COBALT HYDROXIDE; BINDING-SITES; SURFACES; OXIDE; DISSOLUTION; ADSORPTION AB Sorption and precipitation of Co(II) in simplified model systems related to the Hanford site high-level nuclear waste tank leakage were investigated through solution studies. geochemical modeling. and X-ray absorption fine structure (XAFS) spectroscopy. Studies of Co(II) sorption to pristine Hanford sediments (ERDF and Sub), which consist predominantly of quartz. plagioclase, and alkali feldspar, show an adsorption edge centered at pH approximate to 8.0 for both sediments studied, with sorption >99% above pH approximate to 9.0. Aqueous SiO2 resulting from dissolution of the sediments increased in concentration with increasing pH, though the systems remained undersaturated with respect to quartz. XAFS studies of Co(II) sorption to both sediment samples reveal the oxidation of Co(II) to Co(111), likely by dissolved 0,, although this oxidation was incomplete in the Sub sediment samples. The authors propose that Fe(II) species. either in aqueous solution or at mineral surfaces, partially inhibited Co(II) oxidation in the Sub sediment samples, as these sediments contain significantly higher quantities of Fe(II)-bearing minerals which likely partially dissolved under the high-pH solution conditions. In alkaline solutions, Al precipitated as bayerite. gribbsite. or a mixture of the two at pH > 7; an amorphous gel formed at pH values less than 7. Aqueous Co concentrations were well below the solubility, of known Co-bearing phases at low pH. suggesting that Co was removed from solution through an adsorption mechanism. At higher pH values, Co concentrations closely matched the solubility of a Co-bearing hydrotalcite-like solid. XAFS spectra of Co(II) sorbed to Al-hydroxide precipitates are similar to previously reported spectra for such hydrotalcite-like phases. The precipitation processes observed in this study can significantly reduce the environmental hazard posed by Co-60 in the environment. (C) 2004 Elsevier Ltd. All rights reserved. C1 Stanford Univ, Dept Geol & Environm Sci, Stanford, CA 94305 USA. Univ Saskatchewan, Canadian Light Source, Saskatoon, SK S7N 0X4, Canada. Stanford Synchrotron Radiat Lab, SLAC, Menlo Pk, CA 94025 USA. RP Catalano, JG (reprint author), Stanford Univ, Dept Geol & Environm Sci, Stanford, CA 94305 USA. EM catalano@pangea.stanford.edu RI Catalano, Jeffrey/A-8322-2013 OI Catalano, Jeffrey/0000-0001-9311-977X NR 53 TC 13 Z9 13 U1 1 U2 10 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0883-2927 J9 APPL GEOCHEM JI Appl. Geochem. PD JAN PY 2005 VL 20 IS 1 BP 193 EP 205 DI 10.1016/j.apgeochem.2004.06.002 PG 13 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 887NF UT WOS:000226312100014 ER PT J AU Gray, JE Fey, DL Holmes, CW Lasorsa, BK AF Gray, JE Fey, DL Holmes, CW Lasorsa, BK TI Historical deposition and fluxes of mercury in Narraguinnep Reservoir, southwestern Colorado, USA SO APPLIED GEOCHEMISTRY LA English DT Article ID ATMOSPHERIC MERCURY; LAKE-SEDIMENTS; UNITED-STATES; AREAS; CALIFORNIA; TRENDS; LEAD; SULFATE; SYSTEMS; SULFUR AB Narraguinnep Reservoir has been identified as containing fish with elevated Hg concentrations and has been posted with an advisory recommending against consumption of fish. There are presently no point sources of significant Hg contamination to this reservoir or its supply waters. To evaluate potential historical Hg sources and deposition of Hg to Narraguinnep Reservoir, the authors measured Hg concentrations in sediment cores collected from this reservoir. The cores were dated by the (137)Cs method and these dates were further refined by relating water supply basin hydrological records with core sedimentology. Rates of historical Hg flux were calculated (ng/cm(2)/a) based on the Hg concentrations in the cores, sediment bulk densities, and sedimentation rates. The flux of Hg found in Narraguinnep Reservoir increased by approximately a factor of 2 after about 1970. The 3 most likely sources of He to Narraguinnep Reservoir are surrounding bedrocks, upstream inactive Au-Ag mines. and several coal-fired electric power plants in the Four Corners region. Patterns of Hg flux do not support dominant Hg derivation from surrounding bedrocks or upstream mining sources. There are 14 coal-fired power plants within 320 km of Narraguinnep Reservoir that produce over 80 x 10(6) MWH of power and about 16,40 kg-Hg/a are released through stack emissions. contributing significant Hg to the surrounding environment. Two of the largest power plants. located within 80 km of the reservoir, emit about 950 kg-Hg/a. Spatial and temporal patterns of Hg fluxes for sediment cores collected from Narraguinnep Reservoir suggest that the most likely source of Hg to this reservoir is from atmospheric emissions from the coal-fired electric power plants, the largest of which began operation in this region in the late-1960s and early 1970s. Published by Elsevier Ltd. C1 US Geol Survey, Fed Ctr, Lakewood, CO 80225 USA. US Geol Survey, St Petersburg, FL 33701 USA. Battelle Marine Sci Lab, Sequim, WA 98382 USA. RP Gray, JE (reprint author), US Geol Survey, Fed Ctr, POB 25046,MS 973, Lakewood, CO 80225 USA. EM jgray@usgs.gov NR 50 TC 10 Z9 11 U1 1 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0883-2927 J9 APPL GEOCHEM JI Appl. Geochem. PD JAN PY 2005 VL 20 IS 1 BP 207 EP 220 DI 10.1016/j.apgeochem.2004.05.011 PG 14 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 887NF UT WOS:000226312100015 ER PT J AU Raitsimring, AM Astashkin, AV Poluektov, OG Caravan, P AF Raitsimring, AM Astashkin, AV Poluektov, OG Caravan, P TI High-field pulsed EPR and ENDOR of Gd3+ complexes in glassy solutions SO APPLIED MAGNETIC RESONANCE LA English DT Article; Proceedings Paper CT 60th Conference on Modern Development of Magnetic Resonance CY AUG 15-20, 2005 CL Kazan, RUSSIA ID MRI CONTRAST AGENTS; O-17 NMR; LANTHANIDE COMPLEXES; GADOLINIUM COMPLEX; MULTIFREQUENCY EPR; RELAXATION AGENTS; DOUBLE-RESONANCE; WATER EXCHANGE; CRYSTAL-FIELD; SPECTRA AB In this work D-band pulsed electron paramagnetic resonance was used to record the field-sweep spectra of several Gd3+ complexes in glassy water-methanol solutions. These spectra were analyzed by a specially developed stochastic superposition model that predicted the essential features of the distribution of the crystal field interaction (CFI) parameters in glassy systems. As a result of this analysis, the CFI distributions for the studied complexes were evaluated. The D-band Mims H-1 electron-nuclear double resonance spectra were free from CFI-related distortions, which allowed us to accurately determine the hyperfine interaction (HFI) parameters for water ligand protons and to unequivocally establish that the HFI distribution is solely related to the distribution of the Gd-H distances. C1 Univ Arizona, Dept Chem, Tucson, AZ 85721 USA. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. EPIX Med Inc, Cambridge, MA USA. RP Univ Arizona, Dept Chem, 1306 Univ Blvd, Tucson, AZ 85721 USA. EM arnold@u.arizona.edu NR 36 TC 48 Z9 48 U1 2 U2 31 PU SPRINGER WIEN PI WIEN PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA SN 0937-9347 EI 1613-7507 J9 APPL MAGN RESON JI Appl. Magn. Reson. PY 2005 VL 28 IS 3-4 BP 281 EP 295 DI 10.1007/BF03166762 PG 15 WC Physics, Atomic, Molecular & Chemical; Spectroscopy SC Physics; Spectroscopy GA 965MX UT WOS:000231955700009 ER PT J AU Johnson, RW AF Johnson, RW TI Higher order B-spline collocation at the Greville abscissae SO APPLIED NUMERICAL MATHEMATICS LA English DT Article DE B-spline collocation; Greville numerical ID EQUATIONS AB Collocation methods are investigated because of their simplicity and inherent efficiency for application to a model problem with similarities to the equations of fluid dynamics. The model problem is a steady, one-dimensional convection-diffusion equation with constant coefficients. The objective of the present research is to compare the efficiency and accuracy of several collocation schemes as applied to the model problem for values of 15 and 50 for the associated Peclet number. The application of standard nodal and orthogonal collocation is compared to the use of the Greville abscissae for the collocation points, in conjunction with cubic and quartic B-splines. The continuity of the B-spline curve solution is varied from C-1 continuity for traditional orthogonal collocation of cubic and quartic splines to C-2-C-3 continuity for cubic and quartic splines employing nodal, orthogonal and Greville point collocation. The application of nodal, one-point orthogonal, and Greville collocation for smoothest quartic B-splines is found to be as accurate as for traditional two-point orthogonal collocation using cubics, while having comparable or better efficiency based on operation count. Greville collocation is more convenient than nodal or 1-point orthogonal collocation because exactly the correct number of collocation points is available. Published by Elsevier B.V. on behalf of IMACS. C1 INEEL, Idaho Falls, ID 83415 USA. RP Johnson, RW (reprint author), INEEL, Idaho Falls, ID 83415 USA. EM rwj@inel.gov NR 17 TC 24 Z9 24 U1 1 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9274 J9 APPL NUMER MATH JI Appl. Numer. Math. PD JAN PY 2005 VL 52 IS 1 BP 63 EP 75 DI 10.1016/j.apnum.2004.04.002 PG 13 WC Mathematics, Applied SC Mathematics GA 877HS UT WOS:000225559300004 ER PT J AU Giesbrecht, GR Gordon, JC Clark, DL Scott, BL AF Giesbrecht, GR Gordon, JC Clark, DL Scott, BL TI (eta(5)-Fluorenyl)-tris-pyridine-di-iodo-lanthanum(III) and -neodymium(III) SO APPLIED ORGANOMETALLIC CHEMISTRY LA English DT Article DE crystal structure; fluorenyl; lanthanum; neodymium ID RAY CRYSTAL-STRUCTURES; LANTHANIDES; FLUORENYL; COMPLEXES AB The structures of the title compounds are mononuclear with each lanthanide bound by a single)n(5)-fluorenyl ligand, two trans-disposed iodides and three meridionallv oriented pyridine molecules. Copyright (C) 2004 John Wiley Sons, Ltd. C1 Los Alamos Natl Lab, Div Nucl Mat Technol, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Glenn T Seaborg Inst Transactinium Sci, Los Alamos, NM 87545 USA. RP Giesbrecht, GR (reprint author), Los Alamos Natl Lab, Div Nucl Mat Technol, Mail Stop J514, Los Alamos, NM 87545 USA. EM garth.r.giesbrecht@exxonmobil.com RI Clark, David/A-9729-2011; Scott, Brian/D-8995-2017 OI Scott, Brian/0000-0003-0468-5396 NR 9 TC 7 Z9 7 U1 0 U2 2 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 0268-2605 J9 APPL ORGANOMET CHEM JI Appl. Organomet. Chem. PD JAN PY 2005 VL 19 IS 1 BP 98 EP 99 DI 10.1002/aoc.733 PG 2 WC Chemistry, Applied; Chemistry, Inorganic & Nuclear SC Chemistry GA 893NZ UT WOS:000226727800016 ER PT J AU Li, Y Krinsky, S Lewellen, J Sajaev, V AF Li, Y Krinsky, S Lewellen, J Sajaev, V TI Frequency-domain statistics of the chaotic optical field of a high-gain, self-amplified free-electron laser and its correlation to the time-domain statistics SO APPLIED PHYSICS B-LASERS AND OPTICS LA English DT Article ID X-RAYS; RADIATION; NOISE; FLUCTUATIONS; SATURATION AB Recently, the temporal evolution of the amplitude and phase of the chaotic output from a self-amplified free-electron laser was determined. In this letter, we characterize the frequency dependence of the amplitude and phase of the output radiation and discuss the relationship between the characteristics of the spiky intensity structures observed in both the time and the frequency domains. The distribution of the rms time - bandwidth products for an ensemble of output pulses is presented. Experimental results are compared with simulation and theory. C1 Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. RP Li, Y (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM ylli@aps.anl.gov NR 20 TC 1 Z9 1 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 0946-2171 J9 APPL PHYS B-LASERS O JI Appl. Phys. B-Lasers Opt. PD JAN PY 2005 VL 80 IS 1 BP 31 EP 34 DI 10.1007/s00340-004-1696-y PG 4 WC Optics; Physics, Applied SC Optics; Physics GA 876UY UT WOS:000225524900003 ER PT J AU Efimov, A Taylor, AJ AF Efimov, A Taylor, AJ TI Spectral-temporal dynamics of ultrashort Raman solitons and their role in third-harmonic generation in photonic crystal fibers SO APPLIED PHYSICS B-LASERS AND OPTICS LA English DT Article ID CROSS-PHASE MODULATION; MICROSTRUCTURED FIBERS; OPTICAL-FIBERS; CONTINUUM GENERATION; MU-M; PULSES; DISPERSION; MODES; NM AB We use cross-correlation frequency-resolved optical gating to obtain spectral-temporal portraits of ultrashort Raman solitons in photonic crystal fibers at telecommunication wavelengths. Power-dependent Raman frequency shifts of 200 nm in 63 mm of fiber are observed accompanied by spectral broadening and 2.5-times soliton compression. Complete time-frequency dynamics at the fundamental wavelength thus visualized enables us to explain the details of the intermodally phase-matched third harmonic generation by the propagating solitons. C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Efimov, A (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, MST-10,MS K764, Los Alamos, NM 87545 USA. EM efimov@lanl.gov NR 22 TC 9 Z9 9 U1 1 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 0946-2171 J9 APPL PHYS B-LASERS O JI Appl. Phys. B-Lasers Opt. PD JAN PY 2005 VL 80 IS 6 BP 721 EP 725 DI 10.1007/s00340-005-1789-2 PG 5 WC Optics; Physics, Applied SC Optics; Physics GA 922TH UT WOS:000228861000014 ER PT J AU Renne, PR Knight, KB Nomade, S Leung, KN Lou, TP AF Renne, PR Knight, KB Nomade, S Leung, KN Lou, TP TI Application of deuteron-deuteron (D-D) fusion neutrons to Ar-40/Ar-39 geochronology SO APPLIED RADIATION AND ISOTOPES LA English DT Article DE deuteron; fusion; neutron; argon; geochronology ID DATING TECHNIQUE; POTASSIUM; SAMPLES; INTERCALIBRATION; STANDARDS; GENERATOR; AGES; AR AB Neutron irradiation of samples for Ar-40/Ar-39 dating in a U-235 fission reactor requires error-producing corrections for the argon isotopes created from Ca, K, and, to a lesser extent, Cl. The fission spectrum includes neutrons with energies above 2-3 MeV, which are not optimal for the K-39(n,p)Ar-39 reaction. These higher-energy neutrons are responsible for the largest recoil displacements, which may introduce age artifacts in the case of fine-grained samples. Both interference corrections and recoil displacements would be significantly reduced by irradiation with 2.45 MeV neutrons, which are produced by the deuteron-deuteron (D-D) fusion reaction H-2(d,n)He-3. A new generation of D-D reactors should yield sufficiently high neutron fluxes ( > 10(12) n cm(-2) s(-1)) to be useful for Ar-40/Ar-39 dating. Modeling indicates that irradiation with D-D neutrons would result in scientific benefits of improved accuracy and broader applicability to fine-grained materials. In addition, radiological safety would be improved, while both maintenance and operational costs would be reduced. Thus, development of high-flux D-D fusion reactors is a worthy goal for Ar-40/Ar-39 geochronology. (C) 2004 Elsevier Ltd. All rights reserved. C1 Berkeley Geochronol Ctr, Berkeley, CA 94709 USA. Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Div Accelerator & Fus Res, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. RP Renne, PR (reprint author), Berkeley Geochronol Ctr, 2455 Ridge Rd, Berkeley, CA 94709 USA. EM prenne@bgc.org NR 24 TC 37 Z9 38 U1 1 U2 2 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0969-8043 J9 APPL RADIAT ISOTOPES JI Appl. Radiat. Isot. PD JAN PY 2005 VL 62 IS 1 BP 25 EP 32 DI 10.1016/j.apradiso.2004.06.004 PG 8 WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Chemistry; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 872JR UT WOS:000225204000004 PM 15498681 ER PT J AU Wielopolski, L Song, ZG Orion, I Hanson, AL Hendrey, G AF Wielopolski, L Song, ZG Orion, I Hanson, AL Hendrey, G TI Basic considerations for Monte Carlo calculations in soil SO APPLIED RADIATION AND ISOTOPES LA English DT Article DE Monte Carlo; soil elements; neutrons; gammas; transport AB Monte Carlo codes are extensively used for probabilistic simulations of various physical systems. These codes are widely used in calculations of neutron and gamma ray transport in soil for radiation shielding, soil activation by neutrons, well logging industry, and in simulations of complex nuclear gauges for in soil measurements. However, these calculations are complicated by the diversity of soils in which the proportions of solid, liquid and gas vary considerably together with extensive variations in soil elemental composition, morphology, and density. Nevertheless use of these codes requires knowledge of the elemental composition and density of the soil and its physical characteristics as input information for performing these calculations. It is shown that not always all of the soil parameters are critical but depend on the objectives of the calculations. An approach for identifying soil elemental composition and some simplifying assumptions for implementing the transport codes are presented. (C) 2004 Elsevier Ltd. All rights reserved. C1 Brookhaven Natl Lab, Dept Environm Sci, Upton, NY 11973 USA. Chinese Acad Sci, Guangzhou Inst Geochem, State Key Lab Organ Geochem, Guangzhou 510640, Peoples R China. Ben Gurion Univ Negev, Dept Nucl Engn, IL-84105 Beer Sheva, Israel. RP Wielopolski, L (reprint author), Brookhaven Natl Lab, Dept Environm Sci, Bldg 490-D, Upton, NY 11973 USA. EM lwielo@bnl.gov RI ORION, ITZHAK/F-2034-2012 NR 24 TC 17 Z9 17 U1 0 U2 6 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0969-8043 J9 APPL RADIAT ISOTOPES JI Appl. Radiat. Isot. PD JAN PY 2005 VL 62 IS 1 BP 97 EP 107 DI 10.1016/j.apradiso.2004.06.003 PG 11 WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Chemistry; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 872JR UT WOS:000225204000014 PM 15498691 ER PT J AU Zhang, AD Zeng, WX Niemczyk, TM Keenan, MR Haaland, DM AF Zhang, AD Zeng, WX Niemczyk, TM Keenan, MR Haaland, DM TI Multivariate analysis of infrared spectra for monitoring and understanding the kinetics and mechanisms of adsorption processes SO APPLIED SPECTROSCOPY LA English DT Article DE adsorption kinetics; water adsorption; zeolite; infrared spectroscopy; multivariate curve resolution; MCR; principal component analysis; PCA ID CURVE RESOLUTION; ZEOLITES; WATER; SPECTROSCOPY; TEMPERATURE AB Water adsorption onto thin zeolite 3A wafers has been investigated as a function of time, water vapor concentration, and zeolite sample mass using mid-infrared spectroscopy coupled with multivariate data analysis. Principal component analysis (PCA) of the spectral region of the water combination band was used for quantitative characterization of water adsorption onto the zeolite. The kinetics of the adsorption of water are found to be very reproducible and nearly linear with time. The kinetics of water adsorption based on data from different masses of zeolite are consistent with a diffusion/immobilization model for which the interparticle diffusion rate is comparable to the rate of adsorption. The infrared zeolite bands (1340-1550 cm(-1)) change during the adsorption process and yield more detail about the adsorption sites of the material. PCA applied to the zeolite bands was not directly interpretable. However, multivariate curve resolution applied to the spectral region containing the zeolite bands readily demonstrates that zeolite 3A has three water adsorption sites or environments that are sequentially occupied. Potential explanations for the observations of the multivariate curve resolution (MCR) analysis of these infrared (IR) kinetic adsorption experiments are presented. The explanation most consistent with our data suggests that water adsorbs sequentially on the zeolite to form single, double, and triple water adsorption on single zeolite adsorption sites. The combination of infrared spectroscopy and multivariate analysis is therefore demonstrated to be a powerful method to study detailed adsorption kinetics and mechanisms of the adsorption of molecules onto surfaces. C1 Univ New Mexico, Dept Chem, Albuquerque, NM 87131 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Niemczyk, TM (reprint author), Univ New Mexico, Dept Chem, MSC0B-2060, Albuquerque, NM 87131 USA. NR 23 TC 6 Z9 6 U1 2 U2 18 PU SOC APPLIED SPECTROSCOPY PI FREDERICK PA 201B BROADWAY ST, FREDERICK, MD 21701 USA SN 0003-7028 J9 APPL SPECTROSC JI Appl. Spectrosc. PD JAN PY 2005 VL 59 IS 1 BP 47 EP 55 DI 10.1366/0003702052940495 PG 9 WC Instruments & Instrumentation; Spectroscopy SC Instruments & Instrumentation; Spectroscopy GA 887NS UT WOS:000226313400007 PM 15720738 ER PT J AU Waddell, R Lewis, C Hang, W Hassell, C Majidi, V AF Waddell, R Lewis, C Hang, W Hassell, C Majidi, V TI Inductively coupled plasma mass spectrometry for elemental speciation: Applications in the new millennium SO APPLIED SPECTROSCOPY REVIEWS LA English DT Review DE ICP-MS; chemical speciation; gas chromatography; liquid chromatography; capillary electrophoresis; field flow fractionation ID PERFORMANCE LIQUID-CHROMATOGRAPHY; ICP-MS DETECTION; CAPILLARY-ZONE-ELECTROPHORESIS; SIZE-EXCLUSION CHROMATOGRAPHY; ISOTOPE-DILUTION ANALYSIS; SUPERCRITICAL-FLUID CHROMATOGRAPHY; SOLID-PHASE MICROEXTRACTION; FLAME PHOTOMETRIC DETECTOR; TRACE-METAL ELEMENTS; HPLC-ESI-MS AB The current status of elemental speciation using inductively coupled plasma-mass spectrometry (ICP-MS) as the method of detection is examined in this paper. Manuscripts that describe specific speciation applications using on-line hyphenation of gas chromatography (GC), liquid chromatography (LC), capillary electrophoresis (CE), and field flow fractionation (FFF) with ICP-MS detection are presented. This review covers the application papers published between January 2000 and December 2003. Evaluation of the current literature shows that LC is the most prevalent separation technique for elemental speciation followed by CE, GC, and FFF, respectively. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Lewis, C (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM lewisc@lanl.gov OI Waddell Smith, Ruth/0000-0002-2574-7974 NR 160 TC 21 Z9 22 U1 1 U2 22 PU MARCEL DEKKER INC PI NEW YORK PA 270 MADISON AVE, NEW YORK, NY 10016 USA SN 0570-4928 J9 APPL SPECTROSC REV JI Appl. Spectrosc. Rev. PD JAN-MAR PY 2005 VL 40 IS 1 BP 33 EP 69 DI 10.1081/LAPS38310 PG 37 WC Instruments & Instrumentation; Spectroscopy SC Instruments & Instrumentation; Spectroscopy GA 891SN UT WOS:000226601400002 ER PT S AU Kumar, VSA Marathe, MV Parthasarathy, S Srinivasan, A AF Kumar, VSA Marathe, MV Parthasarathy, S Srinivasan, A BE Chekuri, C Jansen, K Rolim, JDP Trevisan, L TI Scheduling on unrelated machines under tree-like precedence constraints SO APPROXIMATION, RANDOMIZATION AND COMBINATORIAL OPTIMIZATION: ALGORITHMS AND TECHNIQUES SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Article; Proceedings Paper CT 8th International Workshop on Approxination Algorithms for Combinatorial Optimization Problems/9th International Workshop on Randomization and Computation CY AUG 22-24, 2005 CL Berkeley, CA SP Lucent Bell Labs Murray Hill, Univ Calif Berkeley, Comp Sci Div, Christian-Albrechts Univ, Inst Comp Sci, Univ Geneva, Dept Comp Sci ID APPROXIMATION ALGORITHMS; PARALLEL MACHINES; BOUNDS AB We present polylogarithmic approximations for the R vertical bar prec vertical bar C-max and R vertical bar prec vertical bar Sigma(j)wjCj problems, when the precedence constraints are "treelike" - i.e., when the undirected graph underlying the precedences is a forest. We also obtain improved bounds for the weighted completion time and flow time for the case of chains with restricted assignment - this generalizes the job shop problem to these objective functions. We use the same lower bound of "congestion+dilation", as in other job shop scheduling approaches. The first step in our algorithm for the R vertical bar prec vertical bar C-max problem with treelike precedences involves using the algorithm of Lenstra, Shmoys and Tardos to obtain a processor assignment with the congestion + dilation value within a constant factor of the optimal. We then show how to generalize the random delays technique of Leighton, Maggs and Rao to the case of trees. For the weighted completion time, we show a certain type of reduction to the makespan problem, which dovetails well with the lower bound we employ for the makespan problem. For the special case of chains, we show a dependent rounding technique which leads to improved bounds on the weighted completion time and new bicriteria bounds for the flow time. C1 Los Alamos Natl Lab, CCS DSS, Los Alamos, NM 87545 USA. Virginia Tech, Virginia Bioinformat Inst, Blacksburg, VA 24061 USA. Virginia Tech, Dept Comp Sci, Blacksburg, VA 24061 USA. Univ Maryland, Dept Comp Sci, College Pk, MD 20742 USA. RP Kumar, VSA (reprint author), Los Alamos Natl Lab, CCS DSS, POB 1663,MS M997, Los Alamos, NM 87545 USA. EM anil@lanl.gov; mmarathe@vbi.vt.edu; sri@cs.umd.edu; srin@cs.umd.edu NR 23 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-28239-4 J9 LECT NOTES COMPUT SC PY 2005 VL 3624 BP 146 EP 157 PG 12 WC Computer Science, Theory & Methods; Mathematics, Applied SC Computer Science; Mathematics GA BDA27 UT WOS:000232240900013 ER PT S AU Moore, C Istrate, G Demopoulos, D Vardi, MY AF Moore, C Istrate, G Demopoulos, D Vardi, MY BE Chekuri, C Jansen, K Rolim, JDP Trevisan, L TI A continuous-discontinuous second-order transition in the satisfiability of random Horn-SAT formulas SO APPROXIMATION, RANDOMIZATION AND COMBINATORIAL OPTIMIZATION: ALGORITHMS AND TECHNIQUES SE Lecture Notes in Computer Science LA English DT Article; Proceedings Paper CT 8th International Workshop on Approximation Algorithms for Combinatorial Optimization Problems/9th International Workshop on Randomization and Computation CY AUG 22-24, 2005 CL Berkeley, CA SP Lucent Bell Labs Murray Hill, Univ Calif Berkeley, Comp Sci Div, Christian Albrechts Univ, Inst Comp Sci, Univ Geneva, Dept Comp Sci ID PHASE-TRANSITION; RANDOM 3-SAT; THRESHOLD AB We compute the probability of satisfiability of a class of random Horn-SAT formulae, motivated by a connection with the nonemptiness problem of finite tree automata. In particular, when the maximum clause length is three, this model displays a curve in its parameter space along which the probability of satisfiability is discontinuous, ending in a second-order phase transition where it becomes continuous. This is the first case in which a phase transition of this type has been rigorously established for a random constraint satisfaction problem. C1 Univ New Mexico, Dept Comp Sci, Albuquerque, NM 87131 USA. Los Alamos Natl Lab, CCS 5, Los Alamos, NM USA. Arcahimedean Acad, Miami, FL USA. Rice Univ, Dept Comp Sci, Houston, TX 77251 USA. RP Univ New Mexico, Dept Comp Sci, Albuquerque, NM 87131 USA. EM moore@cs.unm.edu; istrate@lanl.gov; demetrios_demopoulos@archimedean.org; vardi@rice.edu NR 32 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-28239-4 J9 LECT NOTES COMPUT SC PY 2005 VL 3624 BP 414 EP 425 PG 12 WC Computer Science, Theory & Methods; Mathematics, Applied SC Computer Science; Mathematics GA BDA27 UT WOS:000232240900035 ER PT J AU Rauch, EF Dupuy, L AF Rauch, EF Dupuy, L TI Rapid spot diffraction patterns identification through template matching SO ARCHIVES OF METALLURGY AND MATERIALS LA English DT Article; Proceedings Paper CT Symposium on Texture and Microstructure Analysis of Functionally Graded Materials CY OCT 03-07, 2004 CL Cracow, POLAND SP Bruker Polska Sp zoo, EDAX BV, Fundacja Rozwoju Kardiochirurgii, Henkel Bautechik, IMIM PAN Krakow, IMN Gliwice, LaboSoft, Oregowe Przedsiebiorstwo Geodezyjno Kartograficzne w Krakowie, PANAlytical Sp Zoo Oddzial w Polsce ID KIKUCHI PATTERNS; TRANSMISSION; TEM; MICROSCOPY AB The paper proposes a rapid method for diffraction patterns identification. It consists in comparing the Acquired digital image of the spot pattern to a set of previously calculated templates. Image matching techniques are used to select the template with the highest correlation index. The procedure is used to measure automatically the microtexture,of crystalline metallic materials. C1 INPG, CNRS, UMR 5010, F-34802 St Martin Dheres, France. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Rauch, EF (reprint author), INPG, CNRS, UMR 5010, BP 46, F-34802 St Martin Dheres, France. RI RAUCH, Edgar/C-9852-2011; Dupuy, Laurent/E-3983-2013 NR 10 TC 69 Z9 69 U1 2 U2 22 PU POLISH ACAD SCIENCES COMMITTEE METALLURGY PI KRAKOW PA AL MICKIEWICZA 30, AGH, PAW., A-4,III P., POK 312B, 30-059 KRAKOW, POLAND SN 1733-3490 J9 ARCH METALL MATER JI Arch. Metall. Mater. PY 2005 VL 50 IS 1 BP 87 EP 99 PG 13 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA 942QX UT WOS:000230298000009 ER PT J AU Alexandrov, IV Zhilina, MV Scherbakov, AV Korshunov, AI Nizovtsev, PN Smolyakov, AA Solovyev, VP Beyerlein, IJ Valiev, RZ AF Alexandrov, IV Zhilina, MV Scherbakov, AV Korshunov, AI Nizovtsev, PN Smolyakov, AA Solovyev, VP Beyerlein, IJ Valiev, RZ TI Formation of crystallographic texture during severe plastic deformation SO ARCHIVES OF METALLURGY AND MATERIALS LA English DT Article; Proceedings Paper CT Symposium on Texture and Microstructure Analysis of Functionally Graded Materials CY OCT 03-07, 2004 CL Cracow, POLAND SP Bruker Polska Sp zoo, EDAX BV, Fundacja Rozwoju Kardiochirurgii, Henkel Bautechik, IMIM PAN Krakow, IMN Gliwice, LaboSoft, Oregowe Przedsiebiorstwo Geodezyjno Kartograficzne w Krakowie, PANAlytical Sp Zoo Oddzial w Polsce ID CHANNEL ANGULAR EXTRUSION AB The current paper represents the results of recent investigations, aimed at revealing of regularities and establishing of crystallographic texture evolution mechanisms during equal-channel angular pressing (ECAP). Pure Cu was used as material for investigation. The investigations were conducted with the help of computer simulation. The variable parameter was the friction coefficient. Accumulated strain fields, as well as strain rate gradients, were calculated using the variation-difference method (VDM) and the simplest isotropic material model. The strain rate gradients from the VDM program served as input parameters for the viscous-plastic self-consistent model (VPSC), simulating the texture formation processes. Results of modeling are compared to experimental texture measurements. C1 Ufa State Aviat Tech Univ, Ufa 450000, Russia. Russian Fed Nucl Ctr All Russian Sri Expt Phys, Fed State Unitary Org, Sarov, Russia. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Alexandrov, IV (reprint author), Ufa State Aviat Tech Univ, 12 K Marx St, Ufa 450000, Russia. RI Beyerlein, Irene/A-4676-2011 NR 21 TC 4 Z9 4 U1 0 U2 2 PU POLISH ACAD SCIENCES COMMITTEE METALLURGY PI KRAKOW PA AL MICKIEWICZA 30, AGH, PAW., A-4,III P., POK 312B, 30-059 KRAKOW, POLAND SN 1733-3490 J9 ARCH METALL MATER JI Arch. Metall. Mater. PY 2005 VL 50 IS 2 SI SI BP 281 EP 294 PG 14 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA 956TM UT WOS:000231322700002 ER PT J AU Ma, K Forte, T Otvos, JD Chan, L AF Ma, K Forte, T Otvos, JD Chan, L TI Differential additive effects of endothelial lipase and scavenger receptor-class B type I on high-density lipoprotein metabolism in knockout mouse models SO ARTERIOSCLEROSIS THROMBOSIS AND VASCULAR BIOLOGY LA English DT Article DE endothelial lipase; scavenger receptor class B type I; high-density lipoprotein ID PHOSPHOLIPID TRANSFER PROTEIN; CORONARY HEART-DISEASE; HUMAN-PLASMA; CHOLESTEROL LEVELS; TARGETED MUTATION; HDL METABOLISM; GENE FAMILY; SR-BI; OVEREXPRESSION; DETERMINANT AB Objective - Endothelial lipase (EL) is a vascular phospholipase that hydrolyzes high-density lipoprotein (HDL) as its preferred substrate. Scavenger receptor-class B type I (SR-BI) is an HDL receptor that mediates the selective uptake of cholesteryl ester. This study investigates the role of EL and SR-BI in the regulation of HDL metabolism in gene knockout mouse models. Methods and Results - We cross-bred EL-/- and SR-BI-/- mice and generated single- and double-null mice. We used biochemical, molecular biology, and nuclear magnetic resonance methods to analyze HDL concentration, composition, and structure. We found that EL and SR-BI display additive effects on HDL with evident gene dosage effects, but their mechanisms to regulate HDL concentration and composition are different. Whereas the elevated HDL cholesterol level in EL-/- mice is associated with increased phospholipid content in HDL particles, SR-BI-/- mice display markedly enlarged HDL particles shifted to larger subclasses with a phospholipid content similar to that of wild- type mice. Furthermore, absence of EL is associated with a 40% to 50% inhibition and absence of SR-BI, a approximate to90% inhibition of endogenous lecithin cholesterol: acyltransferase rate. Conclusions - EL and SR-BI are major genetic determinants of HDL metabolism in vivo, each exercising independent and additive effects on HDL structure and function. C1 Baylor Coll Med, Dept Med, Div Endocrinol & Metab, Sect Endocrinol & Metab, Houston, TX 77030 USA. Baylor Coll Med, Dept Mol & Cellular Biol, Sect Endocrinol & Metab, Houston, TX 77030 USA. St Lukes Episcopal Hosp, Houston, TX 77030 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. LipoScience, Raleigh, NC USA. RP Chan, L (reprint author), Baylor Coll Med, Dept Med, Div Endocrinol & Metab, Sect Endocrinol & Metab, 1 Baylor Plaza, Houston, TX 77030 USA. EM lchan@bcm.tmc.edu FU NHLBI NIH HHS [HL-18574, HL-51586] NR 28 TC 18 Z9 18 U1 0 U2 0 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1079-5642 J9 ARTERIOSCL THROM VAS JI Arterioscler. Thromb. Vasc. Biol. PD JAN PY 2005 VL 25 IS 1 BP 149 EP 154 DI 10.1161/01.ATV.0000150414.89591.6a PG 6 WC Hematology; Peripheral Vascular Disease SC Hematology; Cardiovascular System & Cardiology GA 884DX UT WOS:000226065900025 PM 15539616 ER PT J AU Ghirardi, ML King, P Kosourov, S Forestier, M Zhang, LP Seibert, M AF Ghirardi, Maria L. King, Paul Kosourov, Sergey Forestier, Marc Zhang, Liping Seibert, Michael BE Collings, AF Critchley, C TI Development of Algal Systems for Hydrogen Photoproduction: Addressing the Hydrogenase Oxygen-sensitivity Problem SO ARTIFICIAL PHOTOSYNTHESIS: FROM BASIC BIOLOGY TO INDUSTRIAL APPLICATION LA English DT Article; Book Chapter ID CHLAMYDOMONAS-REINHARDTII CULTURES; PHOTOSYNTHETIC ELECTRON-TRANSPORT; GREEN-ALGA; SCENEDESMUS-OBLIQUUS; CLOSTRIDIUM-PASTEURIANUM; FERMENTATIVE METABOLISM; IRON HYDROGENASE; H-2 PRODUCTION; ACTIVE-SITE; EVOLUTION C1 [Ghirardi, Maria L.; King, Paul; Seibert, Michael] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Kosourov, Sergey] Russian Acad Sci, Pushchino Inst Basic Biol Problems, Moscow 142290, Russia. [Forestier, Marc] Univ Zurich, Dept Plant Biol, Limnol Stn, CH-8802 Kilchberg, Switzerland. [Zhang, Liping] Ceres Inc, Malibu, CA 90265 USA. RP Ghirardi, ML (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. RI Kosourov, Sergey/C-6682-2009; Kosourov, Sergey/A-1659-2016 OI Kosourov, Sergey/0000-0003-4025-8041; Kosourov, Sergey/0000-0003-4025-8041 NR 43 TC 13 Z9 13 U1 0 U2 0 PU BLACKWELL SCIENCE PUBL PI OXFORD PA OSNEY MEAD, OXFORD OX2 0EL, ENGLAND BN 978-3-52760-674-0 PY 2005 BP 213 EP 227 D2 10.1002/3527606742 PG 15 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA BYA24 UT WOS:000297748000013 ER PT B AU Baskin, E AF Baskin, E GP ASHRAE TI Evaluation of hydronic forced-air and radiant slab heating and cooling systems SO ASHRAE Transactions 2005, Vol 111, Pt 1 SE ASHRAE TRANSACTIONS LA English DT Proceedings Paper CT Winter Meeting of the American-Society-of-Heating, Refrigerating and Air-Conditioning Engineers CY 2005 CL Orlando, FL SP Amer Soc Heating, Refrigerating & Air-Conditioning Engineers AB A contemporary house located in California has a unique HVAC system featuring radiant floor heating and cooling, forced-air hydronic heating and cooling, and a system that ventilates the house at night to reduce air conditioner energy use by pre-cooling building mass. The purpose of this study was to compare the energy consumption and electrical power demand characteristics of the various heating and cooling operating modes. Cooling season testing involved three different operating modes during similar weather conditions and comparable indoor comfort conditions. Heating testing involved operation in two test modes: hydronic radiant floor heating and hydronic forced-air heating, both by heating water with natural gas. Energy performance results reveal that slab pre-cooling caused some of the energy demand to shift from primarily in the afternoon. Coupling slab pre-cooling with nighttime ventilation air significantly shifted the energy demand load from primarily in the afternoon to late night with the load coming mainly from the fan. Also, during comparable outside conditions, there were appreciable energy differences among cooling modes and no identifiable energy advantage was noticed during the heating mode. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Baskin, E (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. NR 1 TC 6 Z9 6 U1 0 U2 2 PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA J9 ASHRAE TRAN PY 2005 VL 111 BP 525 EP 534 PN 1 PG 10 WC Thermodynamics SC Thermodynamics GA BCV88 UT WOS:000231446800050 ER PT B AU Friedrich, M Armstrong, PR Smith, DL Rowley, SE AF Friedrich, M Armstrong, PR Smith, DL Rowley, SE GP ASHRAE TI Demonstration of a 30-kW microturbine with heat recovery in a 500-soldier barracks SO ASHRAE Transactions 2005, Vol 111, Pt 1 SE ASHRAE TRANSACTIONS LA English DT Proceedings Paper CT Winter Meeting of the American-Society-of-Heating, Refrigerating and Air-Conditioning Engineers CY 2005 CL Orlando, FL SP Amer Soc Heating, Refrigerating & Air-Conditioning Engineers AB A combined heat and power-configured microturbine system was evaluated as an alternative to grid-supplied electric power While off-grid, the system provides auxiliary power for gas-fired boilers and a portion of the domestic hot water for a 500-man barracks and kitchen. One-time tests were made of sound levels, stack emissions, and power quality. Steady-state generating capacity dropped faster than the ratings as the inlet air temperature approached 15 degrees C, while generating efficiency, based on fuel higher heating value, did not drop as rapidly and was still almost 21% at 33 degrees C The microturbine must boost the fuel (natural gas) delivery pressure to 55 psig. During the one year of operation, four fuel compressors failed and there were repeated failures of the microturbine and heat recovery heat exchanger controls. Energy savings based on the measured performance and CY2003 utility rates were $2670 per year. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Friedrich, M (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. NR 2 TC 0 Z9 0 U1 1 U2 1 PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA J9 ASHRAE TRAN PY 2005 VL 111 BP 791 EP 801 PN 1 PG 11 WC Thermodynamics SC Thermodynamics GA BCV88 UT WOS:000231446800075 ER PT B AU Petrov, AY Zaltash, A Labinov, SD Rizy, DT Linkous, RL AF Petrov, AY Zaltash, A Labinov, SD Rizy, DT Linkous, RL GP ASHRAE TI Dynamic performance of a 30-kW microturbine-based CHP system SO ASHRAE Transactions 2005, Vol 111, Pt 1 SE ASHRAE TRANSACTIONS LA English DT Proceedings Paper CT Winter Meeting of the American-Society-of-Heating, Refrigerating and Air-Conditioning Engineers CY 2005 CL Orlando, FL SP Amer Soc Heating, Refrigerating & Air-Conditioning Engineers AB The goal of the Cooling, Heating, and Power (CHP) Program established in 2000 by the US Department of Energy (DOE) is to provide research, development, and testing (both laboratory and field) and to accelerate implementation of distributed electric generation (DG) with thermally activated technologies (TAT). The objective is to provide DG with waste heat recovery, i.e., combination of DG and waste heat recovery utilization to drive various TATunits (heat recovery, desiccant, absorption chiller units, etc) and increase overall fuel efficiency of the technology. Dynamic tests of the CHP system, which were performed at the CHP Integration Laboratory of the Oak Ridge National Laboratory (ORNL), are presented. The CHP system at the lab includes: a 30-kW microturbine generator an air-to-water heat recovery unit, an indirect-fired single-effect 10-ton (35-kW) absorption chiller and indirect and direct-fired desiccant dehumidification units. The dynamic system response of the CHP system was tested during both cold-start-up and power-dispatch (changing electric/thermal demand) modes. The test results provide valuable information for both understanding CHP performance as well as for use to develop better control tools for CHP equipment. C1 Oak Ridge Natl Lab, Cooling Heating & Power Grp, Engn Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Petrov, AY (reprint author), Oak Ridge Natl Lab, Cooling Heating & Power Grp, Engn Sci & Technol Div, Oak Ridge, TN 37831 USA. NR 8 TC 3 Z9 3 U1 0 U2 0 PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA J9 ASHRAE TRAN PY 2005 VL 111 BP 802 EP 809 PN 1 PG 8 WC Thermodynamics SC Thermodynamics GA BCV88 UT WOS:000231446800076 ER PT B AU Xu, P Haves, P Kim, M AF Xu, P Haves, P Kim, M GP ASHRAE TI Model-based automated functional testing-methodology and application to air-handling units SO ASHRAE Transactions 2005, Vol 111, Pt 1 SE ASHRAE TRANSACTIONS LA English DT Proceedings Paper CT Winter Meeting of the American-Society-of-Heating, Refrigerating and Air-Conditioning Engineers CY 2005 CL Orlando, FL SP Amer Soc Heating, Refrigerating & Air-Conditioning Engineers AB The paper describes a model-based approach to automated functional testing at the component level and presents results from preliminary field testing of a prototype software tool that implements the method. The method is based on an integrated life-cycle approach to HVAC commissioning and performance monitoring. The tool uses component-level HVAC equipment models implemented in an equation-based simulation environment. When used for commissioning, each model is configured using design information and component manufacturers' data. Once an acceptable functional test has been performed, the model is fine-tuned to match the actual performance of the equipment by using data measured during the functional test. The fine-tuned model is then used in routine operation for on-line monitoring and fault detection. The paper describes the method and reports test results from HVAC secondary systems in a commercial building and an experimental facility. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Xu, P (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. NR 14 TC 9 Z9 9 U1 0 U2 0 PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA J9 ASHRAE TRAN PY 2005 VL 111 BP 979 EP 989 PN 1 PG 11 WC Thermodynamics SC Thermodynamics GA BCV88 UT WOS:000231446800092 ER PT B AU Lutz, JD AF Lutz, JD BE Geshwiler, M TI Estimating energy and water losses in residential hot water distribution systems SO ASHRAE Transactions 2005, Vol 111, Pt 2 SE ASHRAE TRANSACTIONS LA English DT Proceedings Paper CT Annual Meeting of the American-Society-of-Heating-Refrigerating-and-Air-Conditioning-Engineers (ASHRAE) CY 2005 CL Denver, CO SP Amer Soc Heating Refrigerating & Air Conditioning Engineers AB Residential single-family building practice currently ignores the losses of energy and water caused by the poor design of hot water systems. These losses include the waste of water while waiting for hot water to get to the point of use, the wasted heat as water cools down in the distribution system after a draw, and the energy needed to reheat water that was already heated once before. Average losses of water are estimated to be 6.35 gal (24. 0 L) per day. (This is water that is run down the drain without being used while waiting for hot water.) The amount of wasted hot water has been calculated to be 10.9 gal (41.3 L) per day. (This is water that was heated but either is not used oris used after it has cooled off.) A check on the reasonableness of this estimate is made by showing that total residential hot water use averages about 52.6 gal (199 L) per day. This indicates that, on average, about 20% of hot water is wasted daily. C1 Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Lutz, JD (reprint author), Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. NR 14 TC 1 Z9 1 U1 0 U2 1 PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA J9 ASHRAE TRAN PY 2005 VL 111 BP 418 EP 422 PN 2 PG 5 WC Construction & Building Technology; Engineering, Mechanical SC Construction & Building Technology; Engineering GA BDP17 UT WOS:000234678400038 ER PT B AU Fisk, WJ Faulkner, D Sullivan, DP AF Fisk, WJ Faulkner, D Sullivan, DP BE Geshwiler, M TI An evaluation of three commercially available technologies for real-time measurement of rates of outdoor airflow into HVAC systems SO ASHRAE Transactions 2005, Vol 111, Pt 2 SE ASHRAE TRANSACTIONS LA English DT Proceedings Paper CT Annual Meeting of the American-Society-of-Heating-Refrigerating-and-Air-Conditioning-Engineers (ASHRAE) CY 2005 CL Denver, CO SP Amer Soc Heating Refrigerating & Air Conditioning Engineers AB During the last few years, new technologies have been introduced for real-time continuous measurement of the flow rates of outdoor air (OA) into HVAC systems; however an evaluation of these measurement technologies has not previously been published. This document describes a test system and protocols developed for a controlled evaluation of these measurement technologies. The results of tests of three commercially available measurement technologies are also summarized. The test system and protocol were judged practical and very useful. The three commercially available measurement technologies should provide reasonably, e.g., 20%, accurate measurements of OA flow rates as long as air velocities are maintained high enough to produce accurately measurable pressure signals. When these three technologies are used in HVAC systems with economizer controls, to maintain measurement accuracy the OA intake will need to be divided into two sections in parallel, each with a separate OA damper. All three of the measurement devices had pressure drops that are likely to bejudged acceptable. The influence of wind on the accuracy of these measurement technologies still needs to be evaluated. C1 Lawrence Berkeley Lab, Indoor Environm Dept, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Fisk, WJ (reprint author), Lawrence Berkeley Lab, Indoor Environm Dept, Environm Energy Technol Div, Berkeley, CA 94720 USA. NR 16 TC 4 Z9 4 U1 0 U2 1 PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA J9 ASHRAE TRAN PY 2005 VL 111 BP 443 EP 455 PN 2 PG 13 WC Construction & Building Technology; Engineering, Mechanical SC Construction & Building Technology; Engineering GA BDP17 UT WOS:000234678400041 ER PT B AU Fisk, WJ Faulkner, D Sullivan, DP AF Fisk, WJ Faulkner, D Sullivan, DP BE Geshwiler, M TI Technologies for measuring flow rates of outdoor air into HVAC systems: Some causes and suggested cures for measurement errors SO ASHRAE Transactions 2005, Vol 111, Pt 2 SE ASHRAE TRANSACTIONS LA English DT Proceedings Paper CT Annual Meeting of the American-Society-of-Heating-Refrigerating-and-Air-Conditioning-Engineers (ASHRAE) CY 2005 CL Denver, CO SP Amer Soc Heating Refrigerating & Air Conditioning Engineers AB Although the rate of outdoor air (OA) ventilation has a substantial influence on building energy consumption and occupant health, the available data indicate the outdoor air ventilation rates are poorly controlled in many buildings. Technologies being marketed for real-time measurement of the flow rates of outdoor air into HVAC systems should enable better control of OA ventilation. In laboratory research we have studied the performance of these technologies. Sources of measurement errors identified or reconfirmed during conduct of this research include low air speeds, high spatial variability in air speed and direction, large eddies downstream of outdoor air intake louvers, and backward airflow through a portion of outdoor air dampers. Suggestions for overcoming these sources of errors include design and control of the outdoor air intake system to avoid low, hard-to measure air speeds; use of highly sensitive pressure and velocity sensors; measuring air speeds between blades of louvers rather than downstream of louvers; smoothing out the airflow between the outdoor air louver and damper through proper louver selection and insertion of components to straighten airflow; and maintaining a pressure drop across the outdoor air damper that exceeds approximately 0.04 IWG (10 Pa). C1 Lawrence Berkeley Lab, Environm Energy Technol Div, Indoor Environm Dept, Berkeley, CA 94720 USA. RP Fisk, WJ (reprint author), Lawrence Berkeley Lab, Environm Energy Technol Div, Indoor Environm Dept, Berkeley, CA 94720 USA. NR 11 TC 4 Z9 4 U1 1 U2 2 PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA J9 ASHRAE TRAN PY 2005 VL 111 BP 456 EP 463 PN 2 PG 8 WC Construction & Building Technology; Engineering, Mechanical SC Construction & Building Technology; Engineering GA BDP17 UT WOS:000234678400042 ER PT B AU Tschudi, W Faulkner, D Hebert, A AF Tschudi, W Faulkner, D Hebert, A BE Geshwiler, M TI Energy efficiency strategies for cleanrooms without compromising environmental conditions SO ASHRAE Transactions 2005, Vol 111, Pt 2 SE ASHRAE TRANSACTIONS LA English DT Proceedings Paper CT Annual Meeting of the American-Society-of-Heating-Refrigerating-and-Air-Conditioning-Engineers (ASHRAE) CY 2005 CL Denver, CO SP Amer Soc Heating Refrigerating & Air Conditioning Engineers AB Traditional cleanroom filtration design and operation relies upon high recirculation air change rates as a means of maintaining acceptable contamination control. Cleanroom professionals accept recommended air-change rates that were established somewhat arbitrarily as rules of thumb. The guidelines were based upon historically adequate cleanroom conditions, but they are not optimized. Disadvantages of this practice include paying a high cost for excessive airflow, as is usually the case, but also production or other work in the cleanroom could be adversely affected by too much or too little airflow. This paper describes research and several case study projects that suggest that control of recirculation air flow by monitoring cleanliness, or other control strategies, is a viable means to improve energy efficiency. One strategy being researched by Lawrence Berkeley National Laboratory and Cornell University in separate projects involves use of particle counters to continuously measure particle counts to automatically control recirculation air handlers using the building control system. Given that people are the number one source of contamination in cleanrooms, other less sophisticated strategies, such as timed setback or use of occupancy sensors to reduce airflow have also been studied. This paper discusses the energy-saving potential for routine use of these methods and provides case study results where setback strategies were successfully in use. C1 Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Tschudi, W (reprint author), Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. NR 6 TC 5 Z9 5 U1 2 U2 3 PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA J9 ASHRAE TRAN PY 2005 VL 111 BP 637 EP 645 PN 2 PG 9 WC Construction & Building Technology; Engineering, Mechanical SC Construction & Building Technology; Engineering GA BDP17 UT WOS:000234678400061 ER PT J AU Wicker, RB Ranade, AV Medina, F Palmer, JA AF Wicker, RB Ranade, AV Medina, F Palmer, JA TI Embedded micro-channel fabrication using line-scan stereolithography SO ASSEMBLY AUTOMATION LA English DT Article DE rapid prototypes; assembly; microenvironments ID MICROSTEREOLITHOGRAPHY AB Purpose - In an effort to directly manufacture devices with embedded complex and three-dimensional (3D) micro-channels on the order of microns to millimeters, issues associated with micro-fabrication using current commercially available line-scan stereolithography (SL) technology were investigated. Design/methodology/approach - Practical issues associated with the successful fabrication of embedded micro-channels were divided into software part preparation, part manufacture, and post-cleaning with emphasis on channel geometry, size, and orientation for successful microfabrication. Accurate representation of intended geometries was investigated during conversion from CAD to STL and STL to machine build file, and fabricated vertical and horizontal micro-channels were inspected. Additional build issues investigated included accurate spatial registration of the build platform, building without base support, and Z-stage position accuracy during the build. Findings - For successful fabrication of micro-channels using current technology, it is imperative to inspect the conversion process from CAD to STL and STL to machine build file. Inaccuracies in micro-channel representation can arise at different stages of part preparation, although newer software versions appear to improve representation of micro-geometries. Square channel cross-sections are most easily sliced and vertical channels are most easily stacked together for layered manufacturing. While building, a means should be developed for building without base and internal supports, providing feedback on Z-stage position, and having the capability for cleaning the micro-channels. Research limitations/implications - This research demonstrates that commercial SL technology is capable of accurately fabricating embedded vertical square cross-section micro-channels on the order of 100 Am (with reasonable advancements to smaller scales on the order of 10 Am achievable). Additional practical limitations exist on other channel geometries and orientations. The research used a single resin and additional material resins should be explored for improved micro-fabrication characteristics. Practical implications - Practical issues associated with micro-fabrication of embedded channels with appropriate solutions using available SL technology were provided. It is expected that these solutions will enable unique applications of micro-channel fabrication for micro-fluidic and other devices. Originality/value - This work represents an original investigation of the capabilities of current line-scan SL technology for fabricating embedded micro-channels, and the solutions provide the means for applying this technology in micro-fabrication. C1 Univ Texas, El Paso, TX 79968 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Wicker, RB (reprint author), Univ Texas, El Paso, TX 79968 USA. NR 17 TC 10 Z9 10 U1 1 U2 5 PU EMERALD GROUP PUBLISHING LIMITED PI BRADFORD PA 60/62 TOLLER LANE, BRADFORD BD8 9BY, W YORKSHIRE, ENGLAND SN 0144-5154 J9 ASSEMBLY AUTOM JI Assem. Autom. PY 2005 VL 25 IS 4 BP 316 EP 329 DI 10.1108/014451505106264601 PG 14 WC Automation & Control Systems; Engineering, Manufacturing SC Automation & Control Systems; Engineering GA 987CQ UT WOS:000233496400020 ER PT J AU Giveon, U Becker, RH Helfand, DJ White, RL AF Giveon, U Becker, RH Helfand, DJ White, RL TI A new catalog of radio compact HII regions in the Milky Way SO ASTRONOMICAL JOURNAL LA English DT Article DE catalogs; Galaxy : general; HII regions ID GALACTIC PLANE; STAR-FORMATION; MOLECULAR CLOUD; IRAS SOURCES; EMISSION; GALAXY; POPULATION; CONTINUUM; CLUSTERS AB We use new VLA Galactic plane catalogs at 5 and 1.4 GHz covering the first Galactic quadrant (350degrees less than or equal to l less than or equal to 42degrees, \b\ less than or equal to 0degrees.4) in conjunction with the MSX6C Galactic plane catalog to construct a large sample of ultracompact H II regions. A radio catalog of this region was first published by Becker et al., but we have added new observations and rereduced the data with significantly improved calibration and mosaicking procedures, resulting in a tripling of the number of 5 GHz sources detected. Comparison of the new 5 GHz catalog and the MSX6C Galactic plane catalog resulted in a sample of 687 matches, out of which we estimate only 15 to be chance coincidences. Most of the matches show red Midcourse Space Experiment colors and a thermal radio spectrum. The scale height of their Galactic latitude distribution is very small (FWHM of 16' or similar to40 pc). These properties suggest that the sample is dominated by young ultracompact H II regions, most of which are previously uncataloged. C1 Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Columbia Univ, Astrophys Lab, New York, NY 10027 USA. Space Telescope Sci Inst, Baltimore, MD 21218 USA. RP Giveon, U (reprint author), Univ Calif Davis, Dept Phys, 1 Shields Ave, Davis, CA 95616 USA. RI White, Richard/A-8143-2012 NR 27 TC 35 Z9 35 U1 0 U2 1 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-6256 J9 ASTRON J JI Astron. J. PD JAN PY 2005 VL 129 IS 1 BP 348 EP 354 DI 10.1086/426360 PG 7 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 885BK UT WOS:000226130800024 ER PT J AU De Breuck, C Downes, D Neri, R van Breugel, W Reuland, M Omont, A Ivison, R AF De Breuck, C Downes, D Neri, R van Breugel, W Reuland, M Omont, A Ivison, R TI Detection of two massive CO systems in 4C 41.17 at z=3.8 SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE galaxies : individual : 4C 41.17; galaxies : active; galaxies : formation; radio lines : galaxies ID REDSHIFT RADIO GALAXIES; 4C 41.17; STAR-FORMATION; EMISSION; SEARCH; DUST; SPECTROSCOPY; QUASARS; GAS AB We have detected CO(4-3) in the z = 3.8 radio galaxy 4C 41.17 with the IRAM Interferometer. The CO is in two massive (M-dyn similar to 6 x 10(10) M.) systems separated by 1."8 (13 kpc), and by 400 km s(-1) in velocity, which coincide with two different dark lanes in a deep Lyalpha image. One CO component coincides with the cm-radio core of the radio galaxy, and its redshift is close to that of the He II lambda 1640 AGN line. The second CO component is near the base of a cone-shaped region southwest of the nucleus, which resembles the emission-line cones seen in nearby AGN and starburst galaxies. The characteristics of the CO sources and their mm/submm dust continuum are similar to those found in ultraluminous IR galaxies and in some high-z radio galaxies and quasars. The fact that 4C 41.17 contains two CO systems is further evidence for the role of mergers in the evolution of galaxies at high redshift. C1 European So Observ, D-85748 Garching, Germany. Inst Radioastron Millimetr, F-38406 St Martin Dheres, France. Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA. Sterrewacht Leiden, NL-2300 RA Leiden, Netherlands. CNRS, Inst Astrophys Paris, F-75014 Paris, France. Univ Paris 06, F-75014 Paris, France. Royal Observ, Astron Technol Ctr, Edinburgh EH9 3HJ, Midlothian, Scotland. Univ Edinburgh, Royal Observ, Inst Astron, Edinburgh EH9 3HJ, Midlothian, Scotland. RP De Breuck, C (reprint author), European So Observ, Karl Schwarzschild Str 2, D-85748 Garching, Germany. EM cdebreuc@eso.org; downes@iram.fr; neri@iram.fr; wil@igpp.ucllnl.org; reuland@strw.leidenuniv.nl; omont@iap.fr; rji@roe.ac.uk RI Ivison, R./G-4450-2011; OI Ivison, R./0000-0001-5118-1313; De Breuck, Carlos/0000-0002-6637-3315 NR 29 TC 51 Z9 51 U1 0 U2 0 PU E D P SCIENCES PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0004-6361 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD JAN PY 2005 VL 430 IS 1 BP L1 EP L4 DI 10.1051/0004-6361:200400115 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 887GX UT WOS:000226295000001 ER PT J AU Melin, JB Bartlett, JG Delabrouille, J AF Melin, JB Bartlett, JG Delabrouille, J TI The selection function of SZ cluster surveys SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE cosmology : large-scale structure of Universe; galaxies : clusters : general ID PROBE WMAP OBSERVATIONS; DARK-MATTER HALOES; X-RAY-CLUSTERS; GALAXY CLUSTERS; COSMOLOGICAL PARAMETERS; CONSTRAINTS; FOREGROUNDS; EVOLUTION; ABUNDANCE; UNIVERSE AB We study the nature of cluster selection in Sunyaev-Zel'dovich (SZ) surveys, focusing on single frequency observations and using Monte Carlo simulations incorporating instrumental effects, primary cosmic microwave background (CMB) anisotropies and extragalactic point sources. Clusters are extracted from simulated maps with an optimal, multi-scale matched filter. We introduce a general definition for the survey selection function that provides a useful link between an observational catalog and theoretical predictions. The selection function defined over the observed quantities of flux and angular size is independent of cluster physics and cosmology, and thus provides a useful characterization of a survey. Selection expressed in terms of cluster mass and redshift, on the other hand, depends on both cosmology and cluster physics. We demonstrate that SZ catalogs are not simply flux limited, and illustrate how incorrect modeling of the selection function leads to biased estimates of cosmological parameters. The fact that SZ catalogs are not flux limited complicates survey "calibration" by requiring more detailed information on the relation between cluster observables and cluster mass. C1 Univ Paris 07, APC, F-75005 Paris, France. Coll France, PCC, F-75005 Paris, France. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Univ Paris 07, APC, F-75005 Paris, France. EM melin@cdf.in2p3.fr; bartlett@cdf.in2p3.fr; delabrouille@cdf.in2p3.fr NR 45 TC 19 Z9 19 U1 0 U2 1 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 1432-0746 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD JAN PY 2005 VL 429 IS 2 BP 417 EP 426 DI 10.1051/0004-6361:20048093 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 887GS UT WOS:000226294400009 ER PT J AU Ackermann, M Ahrens, J Albrecht, H Atlee, D Bai, X Bay, R Bartelt, M Barwick, SW Becka, T Becker, KH Becker, JK Bernardini, E Bertrand, D Boersma, DJ Boser, S Botner, O Bouchta, A Bouhali, O Braun, J Burgess, C Burgess, T Castermans, T Chirkin, D Coarasa, T Collin, B Conrad, J Cooley, J Cowen, DF Davour, A De Clercq, C DeYoung, T Desiati, P Ekstrom, P Feser, T Gaisser, TK Ganugapati, R Geenen, H Gerhardt, L Goldschmidt, A Gross, A Hallgren, A Halzen, F Hanson, K Hardtke, D Hardtke, R Harenberg, T Hauschildt, T Helbing, K Hellwig, M Herquet, P Hill, GC Hodges, J Hubert, D Hughey, B Hulth, PO Hultqvist, K Hundertmark, S Jacobsen, J Kampert, KH Karle, A Kelley, J Kestel, M Kopke, L Kowalski, M Krasberg, M Kuehn, K Leich, H Leuthold, M Lundberg, J Madsen, J Mandli, K Marciniewski, P Matis, HS McParland, CP Messarius, T Minaeva, Y Miocinovic, P Morse, R Movit, S Munich, K Nahnhauer, R Nam, JW Neunhoffer, T Niessen, P Nygren, DR Ogelman, H Olbrechts, P de los Heros, CP Pohl, AC Porrata, R Price, PB Przybylski, GT Rawlins, K Resconi, E Rhode, W Ribordy, M Richter, S Martino, JR Rutledge, D Sander, HG Schinarakis, K Schlenstedt, S Schneider, D Schwarz, R Silvestri, A Solarz, M Spiczak, GM Spiering, C Stamatikos, M Steele, D Steffen, P Stokstad, RG Sulanke, KH Taboada, I Tarasova, O Thollander, L Tilav, S Voicu, LC Wagner, W Walck, C Walter, M Wang, YR Wiebusch, CH Wischnewski, R Wissing, H Woschnagg, K Yodh, G AF Ackermann, M Ahrens, J Albrecht, H Atlee, D Bai, X Bay, R Bartelt, M Barwick, SW Becka, T Becker, KH Becker, JK Bernardini, E Bertrand, D Boersma, DJ Boser, S Botner, O Bouchta, A Bouhali, O Braun, J Burgess, C Burgess, T Castermans, T Chirkin, D Coarasa, T Collin, B Conrad, J Cooley, J Cowen, DF Davour, A De Clercq, C DeYoung, T Desiati, P Ekstrom, P Feser, T Gaisser, TK Ganugapati, R Geenen, H Gerhardt, L Goldschmidt, A Gross, A Hallgren, A Halzen, F Hanson, K Hardtke, D Hardtke, R Harenberg, T Hauschildt, T Helbing, K Hellwig, M Herquet, P Hill, GC Hodges, J Hubert, D Hughey, B Hulth, PO Hultqvist, K Hundertmark, S Jacobsen, J Kampert, KH Karle, A Kelley, J Kestel, M Kopke, L Kowalski, M Krasberg, M Kuehn, K Leich, H Leuthold, M Lundberg, J Madsen, J Mandli, K Marciniewski, P Matis, HS McParland, CP Messarius, T Minaeva, Y Miocinovic, P Morse, R Movit, S Munich, K Nahnhauer, R Nam, JW Neunhoffer, T Niessen, P Nygren, DR Ogelman, H Olbrechts, P de los Heros, CP Pohl, AC Porrata, R Price, PB Przybylski, GT Rawlins, K Resconi, E Rhode, W Ribordy, M Richter, S Martino, JR Rutledge, D Sander, HG Schinarakis, K Schlenstedt, S Schneider, D Schwarz, R Silvestri, A Solarz, M Spiczak, GM Spiering, C Stamatikos, M Steele, D Steffen, P Stokstad, RG Sulanke, KH Taboada, I Tarasova, O Thollander, L Tilav, S Voicu, LC Wagner, W Walck, C Walter, M Wang, YR Wiebusch, CH Wischnewski, R Wissing, H Woschnagg, K Yodh, G TI Flux limits on ultra high energy neutrinos with AMANDA-B10 SO ASTROPARTICLE PHYSICS LA English DT Article DE neutrino telescopes; neutrino astronomy; UHE neutrinos; AMANDA ID DETECTORS; SELECTION; SEARCH; MODEL AB Data taken during 1997 with the AMANDA-B10 detector are searched for a diffuse flux of neutrinos of all flavors with energies above 10(16) eV. At these energies the Earth is opaque to neutrinos, and thus neutrino induced events are concentrated at the horizon. The background are large muon bundles from down-going atmospheric air shower events. No excess events above the background expectation are observed and a neutrino flux following E-2, with an equal mix of all flavors, is limited to E(2)Phi(10(15) eV < E < 3 x 10(18) eV) less than or equal to 0.99 x 10(-6) GeV cm(-2) s(-1) sr(-1) at 90% confidence level. This is the most restrictive experimental bound placed by any neutrino detector at these energies. Bounds to specific extraterrestrial neutrino flux predictions are also presented. (C) 2004 Elsevier B.V. All rights reserved. C1 Stockholm Univ, Dept Phys, SE-10691 Stockholm, Sweden. DESY, D-15735 Zeuthen, Germany. Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany. Penn State Univ, Dept Phys, University Pk, PA 16802 USA. Univ Delaware, Bartol Res Inst, Newark, DE 19716 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Berg Univ Wuppertal, Dept Phys, D-42097 Wuppertal, Germany. Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. Free Univ Brussels, Fac Sci CP230, B-1050 Brussels, Belgium. Uppsala Univ, Div High Energy Phys, S-75121 Uppsala, Sweden. Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. Univ Mons, B-7000 Mons, Belgium. Free Univ Brussels, Dienst ELEM, B-1050 Brussels, Belgium. Univ Maryland, Dept Phys, College Pk, MD 20742 USA. Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Wisconsin, Dept Phys, River Falls, WI 54022 USA. Univ Kalmar, Dept Chem & Biomed Sci, S-39182 Kalmar, Sweden. Univ Simon Bolivar, Dept Phys, Caracas 1080, Venezuela. RP Hundertmark, S (reprint author), Stockholm Univ, Dept Phys, SE-10691 Stockholm, Sweden. EM stephan.hundertmark@physto.se RI Wiebusch, Christopher/G-6490-2012; Kowalski, Marek/G-5546-2012; Hundertmark, Stephan/A-6592-2010; Botner, Olga/A-9110-2013; Hallgren, Allan/A-8963-2013; Tjus, Julia/G-8145-2012 OI Perez de los Heros, Carlos/0000-0002-2084-5866; Hubert, Daan/0000-0002-4365-865X; Wiebusch, Christopher/0000-0002-6418-3008; NR 35 TC 66 Z9 68 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-6505 EI 1873-2852 J9 ASTROPART PHYS JI Astropart Phys. PD JAN PY 2005 VL 22 IS 5-6 BP 339 EP 353 DI 10.1016/j.astropartphys.2004.09.008 PG 15 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 886IJ UT WOS:000226220100001 ER PT J AU Baltz, EA Hui, L AF Baltz, EA Hui, L TI Microlensing of gamma-ray bursts by stars and machos SO ASTROPHYSICAL JOURNAL LA English DT Article DE binaries : general; gamma rays : bursts; gravitational lensing ID MAGNIFICATION BIAS; GRAVITATIONAL LENSES; OPTICAL AFTERGLOW; FORMATION HISTORY; HOST GALAXY; 000301C; ENERGY; IMAGE; PROBABILITY; STATISTICS AB The microlensing interpretation of the optical afterglow of GRB 000301C seems naively surprising, since a simple estimate of the stellar microlensing rate gives less than one in 400 for a flat Omega(Lambda) = 0.7 cosmology, whereas one event was seen in about 30 afterglows. Assuming baryonic MACHOs making up one-half the baryons in the universe, the microlensing probability per burst can be roughly 5% for a gamma-ray burst at redshift z = 2. We explore two effects that may enhance the probability of observing microlensed gamma-ray burst afterglows: binary lenses and double magnification bias. We find that the consideration of binary lenses can increase the rate only at the similar to15% level. On the other hand, because gamma-ray bursts for which afterglow observations exist are typically selected on the basis of fluxes at widely separated wave bands that are not necessarily well correlated (e. g., localization in X-ray, afterglow in optical/infrared), magnification bias can operate at an enhanced level compared to the usual single-bias case. Using a simple model for the selection process in two bands, we compute the enhancement of the microlensing rate due to magnification bias in two cases: perfect correlation and complete independence of the flux in the two bands. We find that existing estimates of the slope of the luminosity function of gamma-ray bursts, while as yet quite uncertain, point to enhancement factors of more than 3 above the simple estimates of the microlensing rate. We find that the probability of observing at least one microlensing event in the sample of 27 measured afterglows can be 3%-4% for stellar lenses, or as much as 25 Ohm(lens) for baryonic MACHOs. We note that the probability of observing at least one event over the available sample of afterglows is significant only if a large fraction of the baryons in the universe are condensed in stellar-mass objects. C1 Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, Stanford, CA 94309 USA. Fermilab Natl Accelerator Lab, NASA, Fermilab Astrophys Ctr, Batavia, IL 60510 USA. RP Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, POB 20450,MS 29, Stanford, CA 94309 USA. EM eabaltz@slac.stanford.edu; lhui@fnal.gov NR 44 TC 9 Z9 9 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD JAN 1 PY 2005 VL 618 IS 1 BP 403 EP 412 DI 10.1086/425954 PN 1 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 883XK UT WOS:000226048800028 ER PT J AU Krumholz, MR McKee, CF Klein, RI AF Krumholz, MR McKee, CF Klein, RI TI How protostellar outflows help massive stars form SO ASTROPHYSICAL JOURNAL LA English DT Article DE accretion, accretion disks; radiative transfer; stars : formation; stars : winds, outflows ID 2-DIMENSIONAL RADIATIVE-TRANSFER; MOLECULAR OUTFLOWS; MULTIPLE OUTFLOWS; YOUNG STARS; ENVELOPES; CLOUDS; WINDS; CORES; SEQUENCE; BREAKOUT AB We consider the effects of an outflow on radiation escaping from the infalling envelope around a massive protostar. Using numerical radiative transfer calculations, we show that outflows with properties comparable to those observed around massive stars lead to significant anisotropy in the stellar radiation field, which greatly reduces the radiation pressure experienced by gas in the infalling envelope. This means that radiation pressure is a much less significant barrier to massive star formation than has previously been thought. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Krumholz, MR (reprint author), Univ Calif Berkeley, Dept Phys, 366 LeConte Hall, Berkeley, CA 94720 USA. EM krumholz@astron.berkeley.edu; cmckee@astron.berkeley.edu; klein@astron.berkeley.edu OI Krumholz, Mark/0000-0003-3893-854X NR 30 TC 96 Z9 96 U1 0 U2 1 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD JAN 1 PY 2005 VL 618 IS 1 BP L33 EP L36 DI 10.1086/427555 PN 2 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 883XL UT WOS:000226048900009 ER PT S AU Madejski, G AF Madejski, G BE Bulik, T Rudak, B Madejski, G TI Recent and future observations in the X-ray and gamma-ray bands: Chandra, Suzaku, GLAST, and NuSTAR SO Astrophysical Sources of High Energy Particles and Radiation SE AIP CONFERENCE PROCEEDINGS LA English DT Proceedings Paper CT Conference on Astrophysical Sources of High Energy Particles and Radiation CY JUN 20-24, 2005 CL Torun, POLAND SP Polish State Comm Sci Res, Nicolaus Copernicus Astron Ctr, Nicolaus Copernicus Univ DE high energy astrophysics; X-ray and gamma-ray instruments ID DARK-MATTER; CONSTRAINTS; CLUSTERS; ENERGY AB This paper presents a brief overview of the accomplishments of the Chandra satellite that are shedding light on the origin of high energy particles in astrophysical sources, with the emphasis on clusters of galaxies. It also discusses the prospects for the new data to be collected with instruments recently launched-such as Suzaku-or those to be deployed in the near future, and this includes GLAST and NuSTAR. C1 Stanford Linear Accelerator Ctr, Stanford, CA 94305 USA. RP Madejski, G (reprint author), Stanford Linear Accelerator Ctr, Stanford, CA 94305 USA. NR 9 TC 1 Z9 1 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 0-7354-0290-6 J9 AIP CONF PROC PY 2005 VL 801 BP 21 EP 30 PG 10 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA BDP66 UT WOS:000234799200003 ER PT J AU Gonthier, PL Van Guilder, R Harding, AK Grenier, IA Perrot, CA AF Gonthier, PL Van Guilder, R Harding, AK Grenier, IA Perrot, CA TI Radio-loud and radio-quiet gamma-ray pulsars from the galaxy and the Gould Belt SO ASTROPHYSICS AND SPACE SCIENCE LA English DT Article; Proceedings Paper CT Conference on Multiwavelength Approach to Unidentified Gamma-Ray Sources CY JUN 01-04, 2004 CL Univ Hong Kong, Hong Kong, PEOPLES R CHINA HO Univ Hong Kong DE pulsars; pulsar populations; gamma-ray sources; Gould Belt; unidentified gamma-ray sources ID HIGH-ENERGY EMISSION; SLOT GAPS; MODEL; ACCELERATION; POPULATIONS; RADIATION; CASCADES; GEOMETRY AB We present results of a population synthesis study of radio-loud and radio-quiet gamma-ray pulsars from the Galactic plane and the Gould Belt. The simulation includes the Parkes multibeam pulsar survey, realistic beam geometries for radio and gamma-ray emission from neutron stars and the new electron density model of Cordes and Lazio. Normalizing to the number of radio pulsars observed by a set of nine radio surveys, the simulation suggests a neutron star birth rate of 1.4 neutron stars per century in the Galactic plane. In addition, the simulation predicts 19 radio-loud and 7 radio-quiet gamma-ray pulsars from the plane that EGRET should have observed as point sources. Assuming that during the last 5 Myr the Gould Belt produced 100 neutron stars, only 10 of these would be observed as radio pulsars with three radio-loud and four radio-quiet gamma-ray pulsars observed by EGRET. These results are in general agreement with the recent number of about 25 EGRET error boxes that contain Parkes radio pulsars. Since the Gould Belt pulsars are relatively close by, the selection of EGRET radio-quiet gamma-ray pulsars strongly favors large impact angles,, in the viewing geometry where the off-beam emission from curvature radiation provides the gamma-ray flux. Therefore, the simulated EGRET radioquiet gamma-ray pulsars, being young and nearby, most closely reflect the current shape of the Gould Belt suggesting that such sources may significantly contribute to the EGRET unidentified gamma-ray sources correlated with the Gould Belt. C1 Hope Coll, Dept Phys & Engn, Holland, MI 49424 USA. Univ Colorado, Denver, CO 80202 USA. NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. Univ Paris 07, F-91191 Gif Sur Yvette, France. CEA Saclay, Serv Astrophys, F-91191 Gif Sur Yvette, France. Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. RP Gonthier, PL (reprint author), Hope Coll, Dept Phys & Engn, Holland, MI 49424 USA. EM gonthier@hope.edu; rvanguilder@usa.net; harding@twinkie.gsfc.nasa.gov; isabelle.grenier@cea.fr; cperrot@stanford.edu RI Harding, Alice/D-3160-2012 NR 16 TC 6 Z9 6 U1 0 U2 1 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0004-640X J9 ASTROPHYS SPACE SCI JI Astrophys. Space Sci. PD JAN PY 2005 VL 297 IS 1-4 BP 71 EP 80 DI 10.1007/s10509-005-7577-y PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 918ME UT WOS:000228545100009 ER PT J AU Paredes, JM Marti, J Torres, DF Romero, GE Combi, JA Bosch-Ramon, V Garcia-Sanchez, J AF Paredes, JM Marti, J Torres, DF Romero, GE Combi, JA Bosch-Ramon, V Garcia-Sanchez, J TI Identifying variable gamma-ray sources through radio observations SO ASTROPHYSICS AND SPACE SCIENCE LA English DT Article; Proceedings Paper CT Conference on Multiwavelength Approach to Unidentified Gamma-Ray Sources CY JUN 01-04, 2004 CL Univ Hong Kong, Hong Kong, PEOPLES R CHINA HO Univ Hong Kong DE gamma-ray sources; radio sources; microquasars; microblazars ID SOURCE 3EG J1828+0142; VARIABILITY; DISCOVERY; SKY AB We present preliminary results of a campaign undertaken with different radio interferometers to observe a sample of the most variable unidentified EGRET sources. We expect to detect which of the possible counterparts of the gamma-ray sources (any of the radio emitters in the field) varies in time with similar timescales as the gamma-ray variation. If the gamma-rays are produced in a jet-like source, as we have modelled theoretically, synchrotron emission is also expected at radio wavelengths. Such radio emission should appear variable in time and correlated with the gamma-ray variability. C1 Univ Barcelona, Fac Fis, Dept Astron & Meteorol, E-08028 Barcelona, Spain. Univ Jaen, Jaen, Spain. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Nacl La Plata, FCAGLP, Inst Argentino Radioastron, La Plata, Argentina. RP Univ Barcelona, Fac Fis, Dept Astron & Meteorol, Av Diagonal 647, E-08028 Barcelona, Spain. EM jmparedes@ub.edu RI Torres, Diego/O-9422-2016; OI Torres, Diego/0000-0002-1522-9065; Paredes, Josep M./0000-0002-1566-9044 NR 25 TC 3 Z9 3 U1 0 U2 1 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0004-640X EI 1572-946X J9 ASTROPHYS SPACE SCI JI Astrophys. Space Sci. PD JAN PY 2005 VL 297 IS 1-4 BP 223 EP 233 DI 10.1007/s10509-005-7624-8 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 918ME UT WOS:000228545100023 ER PT J AU Torres, DF Dame, TM Romero, GE AF Torres, DF Dame, TM Romero, GE TI Status of the connection between unidentified EGRET sources and supernova remnants: The case of CTA 1 SO ASTROPHYSICS AND SPACE SCIENCE LA English DT Article; Proceedings Paper CT Conference on Multiwavelength Approach to Unidentified Gamma-Ray Sources CY JUN 01-04, 2004 CL Univ Hong Kong, Hong Kong, PEOPLES R CHINA HO Univ Hong Kong DE supernova remnants; gamma rays : observations; interstellar medium ID GAMMA-RAY SOURCES; RX-J1713.7-3946; VARIABILITY; EMISSION; PULSAR AB In this paper we briefly comment on the observational status of the possible physical association between unidentified EGRET sources and supernova remnants (SNRs) in our Galaxy. We draw upon recent results presented in the review by Torres et al. (2003), concerning molecular gas in the vicinity of all 19 SNRs found to be positionally coincident with EGRET sources at low Galactic latitudes. In addition, we present new results regarding the supernova remnant CTA 1. Our findings disfavor the possibility of a physical connection with the nearby (in projection) EGRET source. There remains possible, however, that the compact object produced in the supernova explosion be related with the observed gamma-ray flux. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. Inst Argentino Radioastron, Buenos Aires, DF, Argentina. RP Torres, DF (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave L-413, Livermore, CA 94550 USA. EM dtorres@igpp.ucllnl.org NR 23 TC 2 Z9 2 U1 0 U2 1 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0004-640X J9 ASTROPHYS SPACE SCI JI Astrophys. Space Sci. PD JAN PY 2005 VL 297 IS 1-4 BP 393 EP 398 DI 10.1007/s10509-005-7698-3 PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 918ME UT WOS:000228545100042 ER PT J AU Eggleton, PP Kisseleva-Eggleton, L AF Eggleton, PP Kisseleva-Eggleton, L TI Evolutionary processes in low-mass binary systems SO ASTROPHYSICS AND SPACE SCIENCE LA English DT Article; Proceedings Paper CT International Conference on Zdenek Kopals Binary Star Legacy CY MAR 31-APR 03, 2004 CL Litomysl, CZECH REPUBLIC DE double stars; dynamo activity; winds; magnetic braking; tidal friction ID CA-II H; CLOSE BINARIES; TIDAL EVOLUTION; TRIPLE-SYSTEMS; STELLAR; STAR; ECCENTRICITY; EMISSION; FRICTION; DRACONIS AB We consider the evolution of certain low-mass binaries, incorporating models of (a) internal evolution, (b) tidal friction, (c) dynamo activity driven by an elementary alpha, Omega dynamo, (d) stellar wind driven by the activity, and (e) magnetic braking as a consequence of wind and poloidal dynamo-generated magnetic field. In some circumstances the stellar wind is found to remove mass on a nuclear timescale, as is necessary to explain some observed systems. We can hope that various uncertainties in the model may be clarified by a careful comparison of the models with such observed quantities as rotation periods. These are modified by processes (a), (b) and (e). Assuming that stellar evolution is slow, rotation rate should in some circumstances represent a balance between magnetic braking trying to slow the star down and tidal friction trying to spin it up. Preliminary attempts are promising, but indicate that some fine tuning is necessary. When there is a third body present, in an orbit which is inclined but not necessarily of short period, the eccentricity of a close binary can be strongly modified by 'Kozai cycles'. We show that this may complicate attempts to account for spin rates of stars in close binaries. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Pacific, Dept Math, Stockton, CA 95211 USA. RP Eggleton, PP (reprint author), Lawrence Livermore Natl Lab, East Ave, Livermore, CA 94550 USA. EM ppe@igpp.ucllnl.org NR 32 TC 2 Z9 2 U1 0 U2 1 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0004-640X J9 ASTROPHYS SPACE SCI JI Astrophys. Space Sci. PY 2005 VL 296 IS 1-4 BP 327 EP 336 DI 10.1007/s10509-005-4844-x PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 922EU UT WOS:000228820000053 ER PT B AU Mauche, CW Wheatley, PJ Long, KS Raymond, JC Szkody, P AF Mauche, CW Wheatley, PJ Long, KS Raymond, JC Szkody, P BE Hameury, JM Lasota, JP TI Chandra HETG spectra of SS Cyg and U Gem in quiescence and outburst SO Astrophysics of Cataclysmic Variables and Related Objects SE ASTRONOMICAL SOCIETY OF THE PACIFIC CONFERENCE SERIES LA English DT Proceedings Paper CT Conference on Astrophysics of Cataclysmic Variables and Related Objects CY JUL 11-16, 2004 CL Strasbourg, FRANCE AB Chandra HETG spectra of the prototypical dwarf novae SS Cyg and U Gem in quiescence and outburst are presented and discussed. When SS Cyg goes into outburst, it becomes dimmer in hard X-rays and displays a dramatic shift in its relative line strengths, whereas when U Gem goes into outburst, it becomes brighter in hard X-rays and displays only a minor shift, in its relative line strengths. In both systems, the emission lines become significantly broader in outburst, signaling the presence of high velocity gas either in Keplerian orbits around the white dwarf or flowing outward from the system. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Mauche, CW (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave, Livermore, CA 94550 USA. NR 3 TC 5 Z9 5 U1 0 U2 0 PU ASTRONOMICAL SOC PACIFIC PI SAN FRANCISCO PA 390 ASHTON AVE, SAN FRANCISCO, CA 94112 USA BN 1-58381-193-1 J9 ASTR SOC P PY 2005 VL 330 BP 355 EP 356 PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BDC22 UT WOS:000232595600051 ER PT J AU Lindberg, SE Southworth, G Prestbo, EM Wallschlager, D Bogle, MA Price, J AF Lindberg, SE Southworth, G Prestbo, EM Wallschlager, D Bogle, MA Price, J TI Gaseous methyl- and inorganic mercury in landfill gas from landfills in Florida, Minnesota, Delaware, and California SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE dimethylmercury; emissions; waste; analytical methods ID METHYLATED MERCURY; METHYLMERCURY; DEPOSITION; MECHANISMS; WASTE; PLANT AB Municipal waste landfills contain numerous sources of mercury which could be emitted to the atmosphere. Their generation of methane by anaerobic bacteria suggests that landfills may act as bioreactors for methylated mercury compounds. Since our previous study at a single Florida landfill, gaseous inorganic and methylated mercury species have now been identified and quantified in landfill gas at nine additional municipal landfills in several regions of the US. Total gaseous mercury occurs at concentrations in the mug m(-3) range, while methylated compounds occur at concentrations in the ng m(-3) range at all but one of the landfill sites. Dimethylmercury is the predominant methylated species, at concentrations up to 100 ng m(-3), while monomethyl mercury was generally lower. Limited measurements near sites where waste is exposed for processing (e.g. working face, transfer areas) suggest that dimethylmercury is released during these activities as well. Although increasing amounts of landfill gas generated in the US are flared (which should thermally decompose the organic mercury to inorganic mercury), unflared landfill gas is a potentially important anthropogenic source of methylated mercury emissions to the atmosphere. (C) 2004 Elsevier Ltd. All rights reserved. C1 Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. Frontier Geosci, Seattle, WA USA. Trent Univ, Peterborough, ON K9J 7B8, Canada. Florida Dept Environm Protect, Tallahassee, FL USA. RP Lindberg, SE (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM lindbergse@ornl.gov NR 20 TC 38 Z9 43 U1 5 U2 17 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 J9 ATMOS ENVIRON JI Atmos. Environ. PD JAN PY 2005 VL 39 IS 2 BP 249 EP 258 DI 10.1016/j.atmosenv.2004.09.060 PG 10 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 889QV UT WOS:000226458400005 ER PT J AU Marshall, JD McKone, TE Deakin, E Nazaroff, WW AF Marshall, JD McKone, TE Deakin, E Nazaroff, WW TI Inhalation of motor vehicle emissions: effects of urban population and land area SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE population density; infill; sprawl; land-use planning; transportation planning; smart growth ID ON-ROAD MEASUREMENT; PASSENGER CARS; PRIMARY POLLUTANTS; BREATHING RATES; INTAKE FRACTION; NEIGHBORHOOD; ASSESSMENTS; INVENTORY; BEHAVIOR; HEALTH AB Urban population density may influence transportation demand, e.g., as expressed through average daily vehicle-kilometers traveled in private motor vehicles per capita. In turn, changes in transportation demand influence total passenger vehicle emissions to which populations are exposed. Population density can also influence the fraction of total emissions that are inhaled by the exposed urban population. Equations are presented that describe these relationships for an idealized representation of an urban area. Using analytic solutions to these equations, we investigate the effect of three changes in urban population and urban land area (infill, sprawl, and constant-density growth) on per capita inhalation intake of primary pollutants from passenger vehicles. For the system considered, the magnitude of these effects depends on density-emissions elasticity (epsilon(e)), a normalized derivative relating change in population density to change in vehicle emissions. For example, based on the idealized representation of the emissions-to-intake relationship presented herein, if urban population increases, then per capita intake is less with infill development than with constant-density growth if epsilon(e) is < -0.5, while for epsilon(e) > -0.5, the reverse is true. (C) 2004 Elsevier Ltd. All rights reserved. C1 Lawrence Berkeley Lab, Indoor Environm Dept, Berkeley, CA 94720 USA. Univ Calif Berkeley, Energy & Resources Grp, Berkeley, CA 94720 USA. Univ Calif Berkeley, Sch Publ Hlth, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept City & Reg Planning, Berkeley, CA 94720 USA. Univ Calif Berkeley, Transportat Ctr, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. RP Nazaroff, WW (reprint author), Lawrence Berkeley Lab, Indoor Environm Dept, Berkeley, CA 94720 USA. EM nazaroff@ce.berkeley.edu RI Marshall, Julian/B-2998-2012; Nazaroff, William/C-4106-2008 OI Nazaroff, William/0000-0001-5645-3357 NR 56 TC 44 Z9 45 U1 0 U2 16 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 J9 ATMOS ENVIRON JI Atmos. Environ. PD JAN PY 2005 VL 39 IS 2 BP 283 EP 295 DI 10.1016/j.atmosenv.2004.09.059 PG 13 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 889QV UT WOS:000226458400008 ER PT J AU Krueger, BJ Grassian, VH Cowin, JP Laskin, A AF Krueger, BJ Grassian, VH Cowin, JP Laskin, A TI Heterogeneous chemistry of individual mineral dust particles from different dust source regions: the importance of particle mineralogy (vol 36, pg 6253, 2004) SO ATMOSPHERIC ENVIRONMENT LA English DT Correction C1 Univ Iowa, Dept Chem, Iowa City, IA 52242 USA. Univ Iowa, Ctr Global & Reg Environm Res, Iowa City, IA 52242 USA. Pacific NW Natl Lab, Willliam R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. RP Grassian, VH (reprint author), Univ Iowa, Dept Chem, Iowa City, IA 52242 USA. EM vicki-grassian@uiowa.edu RI Laskin, Alexander/I-2574-2012 OI Laskin, Alexander/0000-0002-7836-8417 NR 1 TC 23 Z9 23 U1 1 U2 10 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 EI 1873-2844 J9 ATMOS ENVIRON JI Atmos. Environ. PD JAN PY 2005 VL 39 IS 2 BP 395 EP 395 DI 10.1016/j.atmonsenv.2004.11.005 PG 1 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 889QV UT WOS:000226458400020 ER PT J AU Kleinman, LI AF Kleinman, LI TI The dependence of tropospheric ozone production rate on ozone precursors SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE ozone production rate; tropospheric photochemistry; ozone sensitivity; low and high ozone precursors ID OBSERVATORY PHOTOCHEMISTRY EXPERIMENT; RADICAL PROPAGATION EFFICIENCY; SOUTHEASTERN UNITED-STATES; O-3 FORMATION; AIR-QUALITY; SENSITIVITY; MODEL; NOX; HYDROCARBONS; INDICATORS AB An analytic formula is derived expressing the tropospheric O-3 production rate, P(O-3), as a power law function of radical production rate, NOx concentration, and VOC-OH reactivity. Power law exponents depend on a single X parameter, L-N/Q, which is the fraction of free radicals removed by reactions with NOx. The formula reproduces the functional form of P(O-3) obtained from photochemical box model calculations. Ozone production rates are shown to have a smooth transition between previously derived low and high NOx limits. Potential applications of this formula include analysis of day to day and place to place variations in P(O-3), with P(O-3) either obtained from measurements collected during field campaigns or produced as output from chemical-transport models. Published by Elsevier Ltd. C1 Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. RP Kleinman, LI (reprint author), Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. NR 38 TC 44 Z9 51 U1 4 U2 35 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 J9 ATMOS ENVIRON JI Atmos. Environ. PD JAN PY 2005 VL 39 IS 3 BP 575 EP 586 DI 10.1016/j.atmosenv.2004.08.047 PG 12 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 892BU UT WOS:000226625500014 ER PT S AU Bannister, ME AF Bannister, ME BE Kato, T Funaba, H Kato, D TI Experiments on electron-impact ionization of atomic and molecular ions SO Atomic and Molecular Data and Their Applications SE AIP CONFERENCE PROCEEDINGS LA English DT Proceedings Paper CT Joint Conference of the 4th International Conference on Atomic and Molecular Data and Their Applications (ICAMDATA2004)/14th International Conference on Plasma Physics and Controlled Nuclear Fusion (ITC 14) CY OCT 05-08, 2004 CL Toki, JAPAN SP Natl Inst Fus Sci, Fus Sci Assoc, Int Union Pure & Appl Phys, Assoc Super Adv Elect Technol, Hitachi Res Lab, Hitachi Ltd, PEGASUS Software Inc, Inoue Fdn Sci, Nippon Sheet Glass Fdn Mat Sci & Engn ID EXPERIMENTAL CROSS-SECTIONS; MULTIPLE IONIZATION; SINGLE IONIZATION; IRON IONS; DISSOCIATION; EXCITATION; N-2(+); BEAMS; CO2+; O+ AB Recent experimental measurements of cross sections for electron-impact ionization of atomic and molecular ions will be highlighted, with emphasis on results obtained with the crossed-beams method. These accurate absolute cross sections and high-resolution energy scans for atomic ions provide valuable benchmarks for theoretical efforts on direct and indirect ionization of these ions. Experimental data on ionization of molecular ions should motivate more theoretical interest in these more complex systems. C1 Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RP Bannister, ME (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. NR 44 TC 1 Z9 1 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 0-7354-0256-6 J9 AIP CONF PROC PY 2005 VL 771 BP 172 EP 179 PG 8 WC Astronomy & Astrophysics; Physics, Fluids & Plasmas; Physics, Atomic, Molecular & Chemical; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA BCO49 UT WOS:000230415200018 ER PT S AU Schultz, DR AF Schultz, DR BE Kato, T Funaba, H Kato, D TI The atomic and molecular data community and interaction process SO Atomic and Molecular Data and Their Applications SE AIP CONFERENCE PROCEEDINGS LA English DT Proceedings Paper CT Joint Conference of the 4th International Conference on Atomic and Molecular Data and Their Applications (ICAMDATA2004)/14th International Conference on Plasma Physics and Controlled Nuclear Fusion (ITC 14) CY OCT 05-08, 2004 CL Toki, JAPAN SP Natl Inst Fus Sci, Fus Sci Assoc, Int Union Pure & Appl Phys, Assoc Super Adv Elect Technol, Hitachi Res Lab, Hitachi Ltd, PEGASUS Software Inc, Inoue Fdn Sci, Nippon Sheet Glass Fdn Mat Sci & Engn ID COLD HYDROGEN PLASMAS AB A brief overview is presented of the process by which groups that produce, evaluate and disseminate, and use atomic and molecular data interact. Together these groups constitute the ICAMDATA community, and fostering their continued vitality and interconnectedness is what motivates this series of conferences. An illustration of these interactions is provided here as well through a brief summary of recent and ongoing activities of the Oak Ridge National Laboratory's Controlled Fusion Atomic Data Center. C1 Oak Ridge Natl Lab, Div Phys, Controlled Fus Atom Data Ctr, Oak Ridge, TN 37831 USA. RP Schultz, DR (reprint author), Oak Ridge Natl Lab, Div Phys, Controlled Fus Atom Data Ctr, Oak Ridge, TN 37831 USA. NR 12 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 0-7354-0256-6 J9 AIP CONF PROC PY 2005 VL 771 BP 255 EP 262 PG 8 WC Astronomy & Astrophysics; Physics, Fluids & Plasmas; Physics, Atomic, Molecular & Chemical; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA BCO49 UT WOS:000230415200027 ER PT J AU Baker, GA Baker, SN AF Baker, GA Baker, SN TI A simple colorimetric assay of ionic liquid hydrolytic stability SO AUSTRALIAN JOURNAL OF CHEMISTRY LA English DT Article ID 1-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE; NEOTERIC SOLVENTS; ORGANIC-SOLVENTS; MEMBRANES; ACID; PH AB We describe a simple colorimetric method that can be used to assess the relative intrinsic hydrolytic stabilities of water-miscible and water-immiscible ionic liquids. C1 Los Alamos Natl Lab, Chem Div CSIC, Los Alamos, NM 87545 USA. RP Baker, SN (reprint author), Los Alamos Natl Lab, Chem Div CSIC, MS J514, Los Alamos, NM 87545 USA. EM sbaker@lanl.gov RI Baker, Gary/H-9444-2016 OI Baker, Gary/0000-0002-3052-7730 NR 32 TC 65 Z9 66 U1 1 U2 13 PU C S I R O PUBLISHING PI COLLINGWOOD PA 150 OXFORD ST, PO BOX 1139, COLLINGWOOD, VICTORIA 3066, AUSTRALIA SN 0004-9425 J9 AUST J CHEM JI Aust. J. Chem. PY 2005 VL 58 IS 3 BP 174 EP 177 DI 10.1071/CH05028 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 906VD UT WOS:000227671400004 ER PT J AU Baker, GA AF Baker, GA TI Sweet biofriendly silicates SO AUSTRALIAN JOURNAL OF CHEMISTRY LA English DT Article ID ENCAPSULATION; PRECURSORS C1 Los Alamos Natl Lab, Chem Div C SIC MS J514, Los Alamos, NM 87545 USA. RP Baker, GA (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM chembaker@gmail.com RI Baker, Gary/H-9444-2016 OI Baker, Gary/0000-0002-3052-7730 NR 9 TC 1 Z9 1 U1 0 U2 1 PU C S I R O PUBLISHING PI COLLINGWOOD PA 150 OXFORD ST, PO BOX 1139, COLLINGWOOD, VICTORIA 3066, AUSTRALIA SN 0004-9425 J9 AUST J CHEM JI Aust. J. Chem. PY 2005 VL 58 IS 10 BP 721 EP 721 DI 10.1071/CH05228 PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA 981MW UT WOS:000233093700006 ER PT S AU Marzouk, YM Najm, HN Rahn, LA AF Marzouk, YM Najm, HN Rahn, LA BE Knuth, KH Abbas, AE Morris, RD Castle, JP TI Stochastic spectral methods for efficient Bayesian solution of inverse problems SO Bayesian Inference and Maximum Entropy Methods in Science and Engineering SE AIP CONFERENCE PROCEEDINGS LA English DT Proceedings Paper CT 25th International Workshop on Bayesian Inference and Maximum Entropy Methods in Science and Engineering CY AUG 07-12, 2005 CL San Jose, CA SP ET Jaynes Fdn, San Jose State Univ, NASA Ames Res Ctr, Int Soc Bayesian Anal, World Year Phys 2005 DE inverse problems; Bayesian inference; polynomial chaos; Monte Carlo; spectral methods; Galerkin projection ID POLYNOMIAL CHAOS AB The Bayesian setting for inverse problems provides a rigorous foundation for inference from noisy data and uncertain forward models, a natural mechanism for incorporating prior information, and a quantitative assessment of uncertainty in the inferred results. Obtaining useful information from the posterior density-e.g., computing expectations via Markov Chain Monte Carlo (MCMC)-may be a computationally expensive undertaking, however. For complex and high-dimensional forward models, such as those that arise in inverting systems of PDEs, the cost of likelihood evaluations may render MCMC simulation prohibitive. We explore the use of polynomial chaos (PC) expansions for spectral representation of stochastic model parameters in the Bayesian context. The PC construction employs orthogonal polynomials in i.i.d. random variables as a basis for the space of square-integrable random variables. We use a Galerkin projection of the forward operator onto this basis to obtain a PC expansion for the outputs of the forward problem. Evaluation of integrals over the parameter space is recast as Monte Carlo sampling of the random variables underlying the PC expansion. We evaluate the utility of this technique on a transient diffusion problem arising in contaminant source inversion. The accuracy of posterior estimates is examined with respect to the order of the PC representation and the decomposition of the support of the prior. We contrast the computational cost of the new scheme with that of direct sampling. C1 Sandia Natl Labs, Livermore, CA 94551 USA. RP Marzouk, YM (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. NR 19 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 0-7354-0292-2 J9 AIP CONF PROC PY 2005 VL 803 BP 104 EP 111 PG 8 WC Physics, Mathematical; Statistics & Probability SC Physics; Mathematics GA BDP78 UT WOS:000234828300010 ER PT S AU Hanson, KM AF Hanson, KM BE Knuth, KH Abbas, AE Morris, RD Castle, JP TI Bayesian analysis of inconsistent measurements of neutron cross sections SO BAYESIAN INFERENCE AND MAXIMUM ENTROPY METHODS IN SCIENCE AND ENGINEERING SE AIP Conference Proceedings LA English DT Proceedings Paper CT 25th International Workshop on Bayesian Inference and Maximum Entropy Methods in Science and Engineering CY AUG 07-12, 2005 CL San Jose, CA SP ET Jaynes Fdn, San Jose State Univ, NASA Ames Res Ctr, Int Soc Bayesian Anal, World Year Phys 2005 DE neutron fission cross sections; americium-243; Bayesian analysis; normalization uncertainty; discrepant data; outliers; long-tailed likelihood; Cauchy distribution; Student t-distribution ID AM-243 AB The evaluation of neutron cross sections as a function of energy is fraught with inconsistent measurements. I describe a Bayesian approach to deal with the inconsistencies by probabilistically modeling the possibility of discrepant data and data sets with long-tailed likelihood functions. Systematic normalization uncertainties in each data set are included by considering the normalization to be a variable with specified uncertainty. By characterizing its uncertainty with a mixture of Cauchy and Gaussian distributions, data sets that disagree with the majority of others are given less weight in terms of normalization, but still provide useful information about the energy dependency of the cross sections. I demonstrate the approach with data sets of neutron fission cross sections for americium 243. Samples from the posterior obtained with the Markov Chain Monte Carlo technique are used to estimate the posterior mean and standard error. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Hanson, KM (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM kmh@lanl.gov NR 18 TC 5 Z9 5 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 0-7354-0292-2 J9 AIP CONF PROC PY 2005 VL 803 BP 431 EP 439 PG 9 WC Physics, Mathematical; Statistics & Probability SC Physics; Mathematics GA BDP78 UT WOS:000234828300048 ER PT S AU Kruzic, JJ Nalla, RK Ritchie, RO Kinney, JH AF Kruzic, JJ Nalla, RK Ritchie, RO Kinney, JH BE Sundarm, V Rusin, RP Rutiser, CA TI Fracture properties of cortical bone and dentin SO BIOCERAMICS: MATERIALS AND APPLICATIONS V SE CERAMIC TRANSACTIONS LA English DT Proceedings Paper CT 106th Annual Meeting of the American-Ceramic-Society CY APR 18-21, 2004 CL Indianapolis, IN SP Amer Ceram Soc ID CRACK-GROWTH RESISTANCE; MECHANICAL-PROPERTIES; MODEL AB In order to assess the fracture properties of cortical bone and dentin, in vitro R-curve experiments were performed on human cortical bone (34 - 99 year-old humeri) and elephant dentin specimens hydrated in Hanks' Balanced Salt Solution. Experiments yielded toughness values very similar to ceramics, with R-curves rising over the range of 1 - 3.5 MParootm for dentin and 2 - 5 MParootm for human cortical bone; such R-curve behavior was attributed in both cases to the formation of bridging ligaments in the crack wake. Crack bridges were observed both by microscopy and X-ray tomographic techniques, and the extent and nature of the bridging zones were quantitatively characterized using compliance based experiments. In contrast to ceramics, both of these materials exhibit viscoplastic (creep) deformation behavior at room temperature, which leads to considerable time-dependent crack tip blunting. Additionally, time-dependent cracking behavior (static fatigue) was observed in both cortical bone and dentin; however, for dentin, crack arrest occurred quite quickly due to the rapid rate of crack blunting. Finally, the effects of dehydration and age on the fracture properties were also considered with the goal of gaining a micro-mechanistic understanding of the resistance to fracture in these structural biomaterials. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Sci Mat, Berkeley, CA 94720 USA. RP Ritchie, RO (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Sci Mat, Berkeley, CA 94720 USA. RI Ritchie, Robert/A-8066-2008; Kruzic, Jamie/M-3558-2014 OI Ritchie, Robert/0000-0002-0501-6998; Kruzic, Jamie/0000-0002-9695-1921 NR 19 TC 0 Z9 0 U1 0 U2 0 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 1042-1122 BN 1-57498-185-4 J9 CERAM TRANS PY 2005 VL 164 BP 53 EP 62 PG 10 WC Engineering, Biomedical; Materials Science, Ceramics SC Engineering; Materials Science GA BBP72 UT WOS:000226905400007 ER PT S AU Chalkley, RJ Hansen, KC Baldwin, MA AF Chalkley, RJ Hansen, KC Baldwin, MA BE Burlingame, AL TI Bioinformatic methods to exploit mass spectrometric data for proteomic applications SO BIOLOGICAL MASS SPECTROMETRY SE Methods in Enzymology LA English DT Review; Book Chapter ID PROTEIN-SEQUENCE DATABASES; QUADRUPOLE COLLISION CELL; COMPREHENSIVE ANALYSIS; IDENTIFYING PROTEINS; SHOTGUN PROTEOMICS; STATISTICAL-MODEL; SPECTRAL DATA; PEPTIDE; IDENTIFICATION; CHROMATOGRAPHY AB The new technologies in mass spectrometric analysis of peptides and proteins necessary to accommodate proteomics-scale analyses require, in turn, concomitant development of informatics technologies suitable for very large-scale data handling and analysis. This chapter focuses on the data analysis tools available to the community for analysis of mass spectrometric proteomics data. Different database searching strategies are discussed for peptide and protein identification, and approaches and tools available for comparative quantitative analysis of samples are outlined. C1 Univ Calif San Francisco, Dept Pharmaceut Chem, San Francisco, CA 94143 USA. Univ Colorado, Sch Med, Hlth Sci Ctr, Aurora, CO USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Chalkley, RJ (reprint author), Univ Calif San Francisco, Dept Pharmaceut Chem, San Francisco, CA 94143 USA. FU NCRR NIH HHS [RR01614] NR 61 TC 31 Z9 34 U1 1 U2 2 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0076-6879 BN 0-12-182807-7 J9 METHOD ENZYMOL JI Methods Enzymol. PY 2005 VL 402 BP 289 EP 312 DI 10.1016/S0076-6879(05)02009-4 PG 24 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Chemistry, Analytical; Spectroscopy SC Biochemistry & Molecular Biology; Chemistry; Spectroscopy GA BDP52 UT WOS:000234746300009 PM 16401513 ER PT S AU Vogel, JS Love, AH AF Vogel, JS Love, AH BE Burlingame, AL TI Quantitating isotopic molecular labels with accelerator mass spectrometry SO BIOLOGICAL MASS SPECTROMETRY SE Methods in Enzymology LA English DT Review; Book Chapter ID BETA-CAROTENE; COVALENT BINDING; VITAMIN-A; IN-VIVO; C-14; AMS; PROTEIN; EXPOSURE; SAMPLES; DNA AB Accelerator mass spectrometry (AMS) traces isotopically labeled biochemicals and provides significant new directions for understanding molecular kinetics and dynamics in biological systems. AMS traces low-abundance radioisotopes for high specificity but detects them with MS for high sensitivity. AMS reduces radiation exposure doses to levels safe for use in human volunteers of all ages. Total radiation exposures are equivalent to those obtained in very short airplane flights, a commonly accepted radiation risk. Waste products seldom reach the Nuclear Regulatory Commission (NRC) definition of radioactive waste material for (14)C and (3)H. Attomoles of labeled compounds are quantified in milligram-sized samples, such as 20 mu l of blood. AMS is available from several facilities that offer services and new spectrometers that are affordable. Detailed examples of designing AMS studies are provided, and the methods of analyzing AMS data are outlined. C1 Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. RP Vogel, JS (reprint author), Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. NR 33 TC 41 Z9 44 U1 0 U2 8 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0076-6879 BN 0-12-182807-7 J9 METHOD ENZYMOL JI Methods Enzymol. PY 2005 VL 402 BP 402 EP 422 DI 10.1016/S0076-6879(05)02013-6 PG 21 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Chemistry, Analytical; Spectroscopy SC Biochemistry & Molecular Biology; Chemistry; Spectroscopy GA BDP52 UT WOS:000234746300013 PM 16401517 ER PT S AU Brown, K Dingley, KH Turreltaub, KW AF Brown, K Dingley, KH Turreltaub, KW BE Burlingame, AL TI Accelerator mass spectrometry for biomedical research SO BIOLOGICAL MASS SPECTROMETRY SE Methods in Enzymology LA English DT Review; Book Chapter ID AMS SYSTEM; BIOCHEMICAL SAMPLES; ATTOMOLE DETECTION; ADDUCT FORMATION; TRITIUM AMS; DNA; C-14; BINDING; PROTEIN; METABOLISM AB Accelerator mass spectrometry (AMS) is the most sensitive method for detecting and quantifying rare long-lived isotopes with high precision. In this chapter, we review the principles underlying AMS-based biomedical studies, focusing on important practical considerations and experimental procedures needed for the detection and quantitation of (14)C- and (3)H-labeled compounds in various experiment types. C1 Lawrence Livermore Natl Lab, Biol & Biotechnol Res Program, Livermore, CA 94551 USA. RP Brown, K (reprint author), Univ Leicester, Canc Biomarkers & Prevent Grp, Leicester LE1 7RH, Leics, England. FU NCI NIH HHS [CA55861]; NCRR NIH HHS [RR13461] NR 41 TC 33 Z9 34 U1 1 U2 9 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0076-6879 BN 0-12-182807-7 J9 METHOD ENZYMOL JI Methods Enzymol. PY 2005 VL 402 BP 423 EP 443 DI 10.1016/S0076-6879(05)02014-8 PG 21 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Chemistry, Analytical; Spectroscopy SC Biochemistry & Molecular Biology; Chemistry; Spectroscopy GA BDP52 UT WOS:000234746300014 PM 16401518 ER PT J AU Ozaki, T Ambe, S Abe, T Francis, AJ AF Ozaki, T Ambe, S Abe, T Francis, AJ TI Competitive inhibition and selectivity enhancement by Ca in the uptake of inorganic elements (Be, Na, Mg, K, Ca, Sc, Mn, Co, Zn, Se, Rb, Sr, Y, Zr, Ce, Pm, Gd, Hf) by carrot (Daucus carota cv. US harumakigosun) SO BIOLOGICAL TRACE ELEMENT RESEARCH LA English DT Article DE calcium; carrot; competition; inorganic elements; multitracer; selectivity; uptake ID RARE-EARTH-ELEMENTS; TRACE-ELEMENTS; MINERAL-NUTRITION; SODIUM-CHLORIDE; RICE PLANTS; ION UPTAKE; SATIVA-L; RADIONUCLIDES; MULTITRACER; SEEDLINGS AB We investigated the uptake of inorganic elements (Be, Na, Mg, K, Ca, Sc, Mn, Co, Zn, Se, Rb, Sr, Y, Zr, Ce, Pm, Gd, and Hf) and the effect of Ca on their uptake in carrots (Daucus carota cv. U.S. harumakigosun) by the radioactive multitracer technique. The experimental results suggested that Na, Mg, K, and Rb competed for the functional groups outside the cells in roots with Ca but not for the transporter-binding sites on the plasma membrane of the root cortex cells. In contrast, Y, Ce, Pm, and Gd competed with Ca for the transporters on the plasma membrane. The selectivity which was defined as the value obtained by dividing the concentration ratio of an elemental pair, K/Na, Rb/Na, Be/Sr, and Mg/Sr, in the presence of 0.2 and 2 ppm Ca by that of the corresponding elemental pair in the absence of Ca in the solution was estimated. The selectivity of K and Rb in roots was increased in the presence of Ca. The selectivity of Be in roots was not affected, whereas the selectivity of Mg was increased by Ca. These observations suggest that the presence of Ca in the uptake solution enhances the selectivity in the uptake of metabolically important elements against unwanted elements. C1 Japan Atom Energy Res Inst, Tokai, Ibaraki 3191195, Japan. RIKEN, Inst Phys & Chem Res, Wako, Saitama 3510198, Japan. Brookhaven Natl Lab, Upton, NY 11973 USA. RP Ozaki, T (reprint author), Japan Atom Energy Res Inst, Tokai, Ibaraki 3191195, Japan. NR 45 TC 2 Z9 4 U1 1 U2 5 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA SN 0163-4984 J9 BIOL TRACE ELEM RES JI Biol. Trace Elem. Res. PD JAN PY 2005 VL 103 IS 1 BP 69 EP 82 DI 10.1385/BTER:103:1:069 PG 14 WC Biochemistry & Molecular Biology; Endocrinology & Metabolism SC Biochemistry & Molecular Biology; Endocrinology & Metabolism GA 898KE UT WOS:000227074900006 PM 15695849 ER PT J AU Matsumura, Y Minowa, T Potic, B Kersten, SRA Prins, W van Swaaij, WPM van de Beld, B Elliott, DC Neuenschwander, GG Kruse, A Antal, MJ AF Matsumura, Y Minowa, T Potic, B Kersten, SRA Prins, W van Swaaij, WPM van de Beld, B Elliott, DC Neuenschwander, GG Kruse, A Antal, MJ TI Biomass gasification in near- and super-critical water: Status and prospects SO BIOMASS & BIOENERGY LA English DT Review DE reaction mechanism; catalyst; reactor ID HOT-COMPRESSED WATER; CELLULOSE PYROLYSIS KINETICS; STEAM REFORMING CATALYSTS; DIFFERENT REACTION TEMPERATURES; PRESSURE AQUEOUS ENVIRONMENTS; WEIGHT/BIOMASS FLOW-RATE; REDUCED NICKEL-CATALYST; FLUIDIZED-BED; THERMOCHEMICAL LIQUIDIZATION; HYDROGEN-PRODUCTION AB The current status of biomass gasification in near- and supercritical water (SCWG) is reviewed. There are two approaches to biomass gasification in supercritical water. The first: low-temperature catalytic gasification, employs reaction temperature ranging from 350 to 600 degrees C, and gasifies the feedstock with the aid. of metal catalysts. The second: high-temperature supercritical water gasification, employs reaction temperatures ranging from 500 to 750 degrees C, without catalyst or with non-metallic catalysts. Reviews are made on reaction mechanism, catalyst, and experimental results for these two approaches. Engineering technologies for SCWG gasification, and an example of process analysis are also introduced. Finally, the authors' prognostications on the future prospects of this technology are offered. (c) 2005 Elsevier Ltd. All rights reserved. C1 Hiroshima Univ, Dept Mech Syst Engn, Higashihiroshima, Hiroshima 7398527, Japan. Natl Inst Adv Ind Sci & Technol, Biomass Technol Res Lab, Kure, Hiroshima 7370197, Japan. Univ Twente, Fac Chem Technol, TCCB Grp, NL-7500 AE Enschede, Netherlands. Biomass Technol Grp BV, NL-7521 PR Enschede, Netherlands. Pacific NW Natl Lab, Richland, WA 99352 USA. Forschungszentrum Karlsruhe GmbH, Inst Tech Chem, D-76021 Karlsruhe, Germany. Univ Hawaii Manoa, Sch Ocean & Earth Sci & Technol, Hawaii Nat Energy Inst, Honolulu, HI 96822 USA. RP Matsumura, Y (reprint author), Hiroshima Univ, Dept Mech Syst Engn, 1-4-1 Kagamiyama, Higashihiroshima, Hiroshima 7398527, Japan. EM matumura@mec.hiroshima-u.ac.jp RI Matsumura, Yukihiko/D-5105-2011; Minowa, Tomoaki/R-4520-2016 OI Matsumura, Yukihiko/0000-0002-1341-0493; Minowa, Tomoaki/0000-0002-7742-5467 NR 103 TC 376 Z9 388 U1 17 U2 169 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0961-9534 J9 BIOMASS BIOENERG JI Biomass Bioenerg. PY 2005 VL 29 IS 4 BP 269 EP 292 DI 10.1016/j.biombioe.2005.04.006 PG 24 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA 968NZ UT WOS:000232170500003 ER PT J AU Pordesimo, LO Hames, BR Sokhansanj, S Edens, WC AF Pordesimo, LO Hames, BR Sokhansanj, S Edens, WC TI Variation in corn stover composition and energy content with crop maturity SO BIOMASS & BIOENERGY LA English DT Article DE corn stover; stover anatomical fractions; chemical composition; energy content; NIR spectroscopy ID DEGRADABILITY; DIGESTIBILITY; FRACTIONS; FORAGES AB How to harvest and process corn stover to maximize its quality as a fuel or industrial feedstock and minimize material losses are compelling issues in the industrial utilization of corn stover. The objectives of this investigation were to evaluate the variation in the chemical composition and energy content of aboveground components of the corn plant over time and to evaluate how composition changes after grain physiological maturity is reached and the plants are weathered while undergoing further field drying. Above ground biomass distribution and composition of two almost identical corn cultivars (Pioneer 32K61 and 32K64 Bt) were studied from an estimated 2 weeks before corn kernel physiological maturity until 4 weeks after the grain had already reached a moisture content suitable for combine harvesting. Compositional analysis of corn stover fractions gathered over the course of maturation, senescence, and weathering using NIR spectroscopy showed (1) a rapid drop in soluble glucan, (2) increase in lignin, and (3) increase in xylan. By day 151 after planting, about when grain from surrounding non-test plots was harvested at about 15.5% moisture, composition of the different fractions remained fairly constant. Since product yield in fermentation-based biomass conversion processes is proportional to the structural carbohydrate content of the feedstock, timing of stover collection and the proportion of anatomical fractions collected affect the quality of corn stover as fermentation feedstock. Since the energy content of corn stover anatomical fractions is shown to remain fairly constant over time and from one plant to another (16.7-20.9 kJ g(-1)), insofar as combustion processes are concerned, it apparently makes little difference which part of the plant is used, or at what time the material is harvested. (c) 2004 Elsevier Ltd. All rights reserved. C1 Univ Tennessee, Dept Biosyst Engn & Environm Sci, Knoxville, TN 37996 USA. Natl Bioenergy Ctr, Natl Renewable Energy Lab, Golden, CO 80401 USA. Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Biosyst Engn & Environm Sci, Knoxville, TN 37996 USA. RP Pordesimo, LO (reprint author), USDA ARS, Instrumentat & Sensing Lab, Beltsville Agr Res Ctr, Bldg 303,BARC E, Beltsville, MD 20705 USA. EM pordesil@ba.ars.usda.gov NR 24 TC 104 Z9 111 U1 4 U2 32 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0961-9534 J9 BIOMASS BIOENERG JI Biomass Bioenerg. PY 2005 VL 28 IS 4 BP 366 EP 374 DI 10.1016/j.biombioe.2004.09.003 PG 9 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA 906GP UT WOS:000227629100003 ER PT J AU Downing, M Volk, TA Schmidt, DA AF Downing, M Volk, TA Schmidt, DA TI Development of new generation cooperatives in agriculture for renewable energy research, development, and demonstration projects SO BIOMASS & BIOENERGY LA English DT Article DE new generation cooperatives; agricultural cooperatives; alfalfa; biomass; switchgrass; hybrid poplar; hybrid willow AB Any of several business structures may be used to operate a farm enterprise. Models have been developed showing advantages and disadvantages of sole proprietorships, partnerships, and corporations when applied as farm enterprises. In recent years, the farm cooperative business structure has taken on a different complexion, especially when faced with new crops and uses, mixed, multiple, and international markets, and cross-cutting market sectors. These new generation cooperatives have played a particularly strong role in developing renewable energy and agricultural enterprises, especially in the face of proposed new crop rotations, inclusion of perennial crops in these rotations, and different management scenarios based on agro-forestry principles. In this paper, we define conditions under which the farm cooperative is an appropriate business enterprise structure, and review and update the status of four of these new generation cooperative business structures in Minnesota, New York, and Iowa. We assess the status of development of these cooperatives and the market conditions needed for the agriculture, energy, and environmental sectors that comprise these cooperatives. (c) 2004 Elsevier Ltd. All rights reserved. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. SUNY Coll Environm Sci & Forestry, Syracuse, NY 13210 USA. WESMIN Resource Conservat & Dev, Alexandria, MN 56308 USA. RP Downing, M (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM downingme@ornl.gov; tavolk@esf.edu; dean.schmidt@mn.usda.gov NR 16 TC 14 Z9 16 U1 1 U2 11 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0961-9534 J9 BIOMASS BIOENERG JI Biomass Bioenerg. PY 2005 VL 28 IS 5 BP 425 EP 434 DI 10.1016/j.biombioe.2004.09.004 PG 10 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA 915YK UT WOS:000228347400001 ER PT J AU McLaughlin, SB Kszos, LA AF McLaughlin, SB Kszos, LA TI Development of switchgrass (Panicum virgatum) as a bioenergy feedstock in the United States SO BIOMASS & BIOENERGY LA English DT Article DE switchgrass; breeding; carbon storage; productivity; economics ID NUCLEAR-DNA CONTENT; DIFFERING DIGESTIBILITY; BIOMASS FEEDSTOCK; FORAGE QUALITY; SYSTEMS; POPULATIONS; TRANSFORMATION; REGENERATION; PERFORMANCE; CULTIVARS AB A 10-year US Department of Energy-sponsored research program designed to evaluate and develop switchgrass (Panicum virgatum), a native perennial warm-season grass, as a dedicated energy crop is reviewed. The programmatic objectives were to identify the best varieties and management practices to optimize productivity, while developing an understanding of the basis for long-term improvement of switchgrass through breeding and sustainable production in conventional agroecosysterns. This research has reduced the projected production cost of switchgrass by about 25% ($8-9 Mg-1) through yield increases of about 50% achieved through selection of the best regionally adapted varieties; through optimizing cutting frequency and timing; and by reducing the level (by about 40%) and timing of nitrogen fertilization. Breeding research has made further gains in productivity of switchgrass that exceed the historical rate of yield improvement of corn. Studies of soil carbon storage under switchgrass indicate significant carbon sequestration will occur in soils that will improve soil productivity and nutrient cycling and can substantially augment greenhouse gas reductions associated with substituting renewable energy for fossil energy. Collaborative research with industry has included fuel production and handling in power production, herbicide testing and licensing, release of new cultivars, and genetic modifications for chemical coproduct enhancement. Economically based life cycle analyses based on this research suggest that switchgrass produced for energy will compete favorably both as an agricultural crop and as fuel for industry. (c) 2005 Elsevier Ltd. All rights reserved. C1 Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP McLaughlin, SB (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM mclaughlinsb@ornl.gov OI Kszos, Lynn/0000-0002-8218-9032 NR 65 TC 499 Z9 532 U1 12 U2 172 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0961-9534 J9 BIOMASS BIOENERG JI Biomass Bioenerg. PY 2005 VL 28 IS 6 BP 515 EP 535 DI 10.1016/j.biombioe.2004.05.006 PG 21 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA 929LQ UT WOS:000229348000001 ER PT J AU Nalla, RK Kruzic, JJ Kinney, JH Ritchie, RO AF Nalla, RK Kruzic, JJ Kinney, JH Ritchie, RO TI Mechanistic aspects of fracture and R-curve behavior in human cortical bone SO BIOMATERIALS LA English DT Article DE bone; fracture; tomography; R-curve; toughening; bridging; microcracking ID FATIGUE-CRACK-PROPAGATION; TOUGHENING MECHANISMS; SYNCHROTRON-RADIATION; GROWTH RESISTANCE; FEMORAL-NECK; PROCESS ZONE; HUMAN FEMUR; TOUGHNESS; COLLAGEN; MICROCRACKING AB An understanding of the evolution of toughness is essential for the mechanistic interpretation of the fracture of cortical bone. In the present study, in vitro fracture experiments were conducted on human cortical bone in order to identify and quantitatively assess the salient toughening mechanisms. The fracture toughness was found to rise linearly with crack extension (i.e., rising resistance- or R-curve behavior) with a mean crack-initiation toughness, K-0 of similar to2MParootm for crack growth in the proximal-distal direction. Uncracked ligament bridging, which was observed in the wake of the crack, was identified as the dominant toughening mechanism responsible for the observed R-curve behavior. The extent and nature of the bridging zone was examined quantitatively using multicutting compliance experiments in order to assess the bridging zone length and estimate the bridging stress distribution. Additionally, time-dependent cracking behavior was observed at stress intensities well below those required for overload fracture; specifically, slow crack growth occurred at growth rates of similar to2 x 10(-9) m/s at stress intensities similar to35% below the crack-initiation toughness. In an attempt to measure slower growth rates, it was found that the behavior switched to a regime dominated by time-dependent crack blunting, similar to that reported for dentin; however, such blunting was apparent over much slower time scales in bone, which permitted subcritical crack growth to readily take place at higher stress intensities. (C) 2004 Elsevier Ltd. All rights reserved. C1 Univ Calif Berkeley, Div Sci Mat, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Ritchie, RO (reprint author), Univ Calif Berkeley, Div Sci Mat, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM roritchie@lbl.gov RI Ritchie, Robert/A-8066-2008; Kruzic, Jamie/M-3558-2014 OI Ritchie, Robert/0000-0002-0501-6998; Kruzic, Jamie/0000-0002-9695-1921 FU NIDCR NIH HHS [5R01 DE015633] NR 62 TC 175 Z9 178 U1 1 U2 27 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0142-9612 J9 BIOMATERIALS JI Biomaterials PD JAN PY 2005 VL 26 IS 2 BP 217 EP 231 DI 10.1016/j.biomaterials.2004.02.017 PG 15 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA 855YR UT WOS:000224011300012 PM 15207469 ER PT J AU Lin, WC Blanchette, CD Ratto, TV Longo, ML AF Lin, WC Blanchette, CD Ratto, TV Longo, ML TI Transmembrane coupling and movement in gel-liquid coexisting supported lipid bilayers SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Univ Calif Davis, Davis, CA 95616 USA. Lawrence Livermore Natl Lab, Livermore, CA USA. RI Lin, Wan-Chen/A-4348-2009 NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 8A EP 8A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378500029 ER PT J AU Huang, HW Ding, L Liu, WH Weiss, T Fragneto, G Yang, L AF Huang, HW Ding, L Liu, WH Weiss, T Fragneto, G Yang, L TI Lipid components demixed in a bent monolayer according to spontaneous curvature SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Rice Univ, Houston, TX 77251 USA. European Synchrotron Radiat Facil, F-38043 Grenoble, France. Brookhaven Natl Lab, Upton, NY 11973 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 16A EP 17A PN 2 PG 2 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378500072 ER PT J AU Yang, L Fukuto, M AF Yang, L Fukuto, M TI A modulated phase of phospholipids with in-plane square lattice SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Brookhaven Natl Lab, Upton, NY 11973 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 17A EP 17A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378500073 ER PT J AU Paschek, D Garcia, AE AF Paschek, D Garcia, AE TI Reversible temperature and pressure denaturation of a protein fragment: A replica exchange molecular dynamics simulation study SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Los Alamos Natl Lab, Los Alamos, NM USA. Univ Dortmund, D-44221 Dortmund, Germany. RI Paschek, Dietmar/D-2949-2009 NR 0 TC 0 Z9 0 U1 0 U2 1 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 41A EP 41A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378500199 ER PT J AU Beleva, V Rasmussen, K Garcia, A AF Beleva, V Rasmussen, K Garcia, A TI Modeling DNA bubble formation at the atomic scale SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA. RI Rasmussen, Kim/B-5464-2009 OI Rasmussen, Kim/0000-0002-4029-4723 NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 60A EP 61A PN 2 PG 2 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378500297 ER PT J AU Blanchette, CD Lin, WC Ratto, T McElfresh, M Longo, M AF Blanchette, CD Lin, WC Ratto, T McElfresh, M Longo, M TI Effects of cholesterol on galactosylceramide domain morphology and membrane binding properties SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Univ Calif Davis, Davis, CA 95616 USA. Lawrence Livermore Natl Lab, Livermore, CA USA. NR 0 TC 1 Z9 1 U1 2 U2 3 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 73A EP 73A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378500357 ER PT J AU Ratajczak, MK Ege, C Ko, YTC Majewski, J Kjaer, K Lee, KYC AF Ratajczak, MK Ege, C Ko, YTC Majewski, J Kjaer, K Lee, KYC TI Evidence of ordering in lipid/cholesterol mixtures. SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Univ Chicago, Dept Phys, Chicago, IL 60637 USA. Inst Biophys Dynam, Chicago, IL USA. Univ Chicago, James Franck Inst, Chicago, IL 60637 USA. Univ Cambridge, Cambridge, England. Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA. Riso Natl Lab, Condensed Matter Phys & Chem Dept, Riso, Denmark. RI Lujan Center, LANL/G-4896-2012 NR 0 TC 2 Z9 2 U1 0 U2 2 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 73A EP 73A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378500360 ER PT J AU Dawson, SP Borrazas, DEF Pando, B AF Dawson, SP Borrazas, DEF Pando, B TI Self-regulated processes: applications to the IP3 receptor. SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Univ Buenos Aires, Los Alamos Natl Lab, Los Alamos, NM USA. Univ Buenos Aires, Buenos Aires, DF, Argentina. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 86A EP 86A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378500423 ER PT J AU Huxley, H Stewart, A Reconditi, M Irving, T AF Huxley, H Stewart, A Reconditi, M Irving, T TI Crossbridge configurations in frog sartorius muscle during steady shortening. SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Brandeis Univ, Waltham, MA 02254 USA. Univ Florence, Dept Physiol, Florence, Italy. Argonne Natl Lab, BioCAT, APS, Chicago, IL USA. IIT, Chicago, IL 60616 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 123A EP 123A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378500598 ER PT J AU Alam, TM Holland, GP AF Alam, TM Holland, GP TI Development of INEPT based spin diffusion MAS NMR experiments to investigate organization in lipid biomembranes SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc ID POLARIZATION TRANSFER C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. NR 2 TC 0 Z9 0 U1 0 U2 1 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 142A EP 142A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378500686 ER PT J AU Aslantas, M Kendi, E Stojanoff, V AF Aslantas, M Kendi, E Stojanoff, V TI Bio-molecular crystallography at room temperature: wavelength dependence radiation sensitivity and damage. SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Univ Hacettepe, Dept Engn Phys, TR-06100 Ankara, Turkey. Brookhaven Natl Lab, Ankara, Turkey. Brookhaven Natl Lab, Upton, NY 11973 USA. RI stojanoff, vivian /I-7290-2012 OI stojanoff, vivian /0000-0002-6650-512X NR 0 TC 1 Z9 1 U1 0 U2 1 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 144A EP 144A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378500694 ER PT J AU Jakoncic, J Aslantas, M DiMichel, M Honkimaki, V Stojanoff, V AF Jakoncic, J Aslantas, M DiMichel, M Honkimaki, V Stojanoff, V TI High energy X-rays diffraction for bio-molecular crystal. SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Brookhaven Natl Lab, Upton, NY 11973 USA. Univ Grenoble 1, F-38402 St Martin Dheres, France. Hacettepe Univ, Dept Engn Phys, TR-06532 Ankara, Turkey. European Synchrotron Radiat Facil, F-38043 Grenoble, France. RI stojanoff, vivian /I-7290-2012 OI stojanoff, vivian /0000-0002-6650-512X NR 0 TC 0 Z9 0 U1 0 U2 2 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 144A EP 144A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378500696 ER PT J AU Kim, T Slade, A Yip, CM AF Kim, T Slade, A Yip, CM TI Molecular dynamics simulations: Force mapping of a membrane protein SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Univ Toronto, Toronto, ON, Canada. Sandia Natl Labs, Albuquerque, NM 87185 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 151A EP 151A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378500731 ER PT J AU Jeans, C Thelen, M Noy, A Colvin, M AF Jeans, C Thelen, M Noy, A Colvin, M TI Single molecule studies of chromatin SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Lawrence Livermore Natl Lab, Livermore, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 155A EP 155A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378500752 ER PT J AU Zhang, YX Bahns, JT Jin, QL Chen, LH AF Zhang, YX Bahns, JT Jin, QL Chen, LH TI Probing protein-phage interactions by fluorescence correlation spectroscopy in confined microstructures SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Argonne Natl Lab, Argonne, IL 60439 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 163A EP 163A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378500793 ER PT J AU Cotlet, M Goodwin, PM Keller, RA Miyawaki, A Werner, JH AF Cotlet, M Goodwin, PM Keller, RA Miyawaki, A Werner, JH TI Single molecule fluorescence resonance energy transfer dynamics in a calcium concentration dependent cameleon protein SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RIKEN, Brain Sci Inst, Lab Cell Funct & Dynam, Wako, Saitama 35101, Japan. RI Cotlet, Mircea/C-5004-2008; Miyawaki, Atsushi/K-3569-2014 OI Miyawaki, Atsushi/0000-0002-2329-3235 NR 2 TC 0 Z9 0 U1 0 U2 1 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 166A EP 166A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378500808 ER PT J AU Sulchek, T Ratto, T Langry, K Friddle, R DeNardo, S Albrecht, H Colvin, M Noy, A AF Sulchek, T Ratto, T Langry, K Friddle, R DeNardo, S Albrecht, H Colvin, M Noy, A TI Force spectroscopy of multivalent protein-antibody interactions for optimization of radioimmunotherapeutics SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Lawrence Livermore Natl Lab, Livermore, CA USA. Univ Calif Davis, Davis, CA 95616 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 167A EP 168A PN 2 PG 2 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378500816 ER PT J AU Watkins, LP Bhattacharyya, S Yang, H AF Watkins, LP Bhattacharyya, S Yang, H TI Single molecule dynamics of adenylate kinase: A detailed study of the hinge region SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Univ Calif Berkeley, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 167A EP 167A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378500815 ER PT J AU Comolli, LR Downing, KH AF Comolli, LR Downing, KH TI Electron tomography of intact prokaryotic cells SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 1 U2 2 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 171A EP 171A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378500834 ER PT J AU Tainer, JA AF Tainer, JA TI Envisioning dynamic molecular machines acting in maintenace of the genome SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Scripps Res Inst, La Jolla, CA USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 174A EP 174A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378500850 ER PT J AU Gore, J Stone, M Bryant, Z Crisona, N Mitelheiser, S Maxwell, A Cozzarelli, N Bustamante, C AF Gore, J Stone, M Bryant, Z Crisona, N Mitelheiser, S Maxwell, A Cozzarelli, N Bustamante, C TI Single molecule investigations of the mechanochemical cycle of DNA gyrase SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Univ Calif Berkeley, Berkeley, CA 94720 USA. Harvard Univ, Cambridge, MA 02138 USA. Lawrence Berkeley Natl Lab, Berkeley, CA USA. John Innes Ctr, Norwich, Norfolk, England. Howard Hughes Med Inst, Berkeley, CA USA. NR 2 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 184A EP 184A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378500895 ER PT J AU Ye, CI Means, SA Shadid, JN Balke, CW Izu, LT AF Ye, CI Means, SA Shadid, JN Balke, CW Izu, LT TI Ca2+ wave propagation in cardiomyocytes: Mechanisms underlying the extreme sensitivity to ryanodine receptor (RyR2) distribution SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Univ Maryland, Baltimore, MD 21201 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 190A EP 190A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378500925 ER PT J AU Donsmark, J Raarup, M Chandler, D Oolsthorn, R Oolsthorn, R Schmidt, T AF Donsmark, J Raarup, M Chandler, D Oolsthorn, R Oolsthorn, R Schmidt, T TI Conformational dynamics of alfalfa mosaic virus RNA studied by FRET microscopy SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Leiden Univ, Leiden, Netherlands. Sandia Natl Labs, Livermore, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 192A EP 192A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378500932 ER PT J AU Sanbonmatsu, KY Tung, CS Joseph, S AF Sanbonmatsu, KY Tung, CS Joseph, S TI Movement of transfer RNA into the ribosome during decoding SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Los Alamos Natl Lab, Los Alamos, NM USA. Univ Calif San Diego, San Diego, CA 92103 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 193A EP 193A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378500936 ER PT J AU Burns, AR Frankel, DJ Buranda, T AF Burns, AR Frankel, DJ Buranda, T TI Local dynamics in topographic imaging of lipid domains in supported bilayers: Atomic force microscopy and fluorescence correlation spectroscopy SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ New Mexico, Sch Med, Dept Pathol, Albuquerque, NM 87131 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 208A EP 208A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378501006 ER PT J AU Gupta, S Mangel, WF McGrath, W Takamoto, K Chance, MR AF Gupta, S Mangel, WF McGrath, W Takamoto, K Chance, MR TI Catching a viral protein in act SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Albert Einstein Coll Med, Dept Physiol & Biophys, Ctr Synchrotron Biosci, Bronx, NY 10467 USA. Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 211A EP 211A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378501022 ER PT J AU Smith, AM Huser, T Parikh, AN AF Smith, AM Huser, T Parikh, AN TI Multiphoton membrane photolithography SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Lawrence Livermore Natl Lab, Davis, CA USA. RI Huser, Thomas/H-1195-2012; PARIKH, ATUL/D-2243-2014 OI Huser, Thomas/0000-0003-2348-7416; PARIKH, ATUL/0000-0002-5927-4968 NR 0 TC 0 Z9 0 U1 0 U2 1 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 232A EP 232A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378501133 ER PT J AU Stevens, MJ AF Stevens, MJ TI Simulation of domains in lipid bilayers SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 240A EP 240A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378501174 ER PT J AU Frink, LJ Frischknecht, AL AF Frink, LJ Frischknecht, AL TI A molecular theory of coarse-grained lipids SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 246A EP 246A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378501207 ER PT J AU Frischknecht, AL Frink, LJD AF Frischknecht, AL Frink, LJD TI Structure and elastic properties of coarse-grained lipid bilayers from molecular theory and simulation SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 247A EP 247A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378501208 ER PT J AU Wang, WC Ding, L Liu, WH Huang, HW Yang, L AF Wang, WC Ding, L Liu, WH Huang, HW Yang, L TI Peptides manipulate the membrane curvature: Action of antimicrobial peptides and fusion peptides SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Rice Univ, Houston, TX 77251 USA. Brookhaven Natl Lab, NSLS, Upton, NY 11973 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 249A EP 249A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378501219 ER PT J AU Lee, JW AF Lee, JW TI A possible electrostatic interpretation for proton localization and delocalization in chloroplast bioenergetics system SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Oak Ridge Natl Lab, Oak Ridge, TN USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 324A EP 325A PN 2 PG 2 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378501572 ER PT J AU Berry, EA Huang, LS AF Berry, EA Huang, LS TI The crystal structure of vertebrate mitochondrial respiratory complex II at 2.2 angstrom SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 325A EP 325A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378501575 ER PT J AU Hanshaw, RG Lakshmi, C Lambert, TN Smith, BD AF Hanshaw, RG Lakshmi, C Lambert, TN Smith, BD TI Fluorescent detection of apoptotic cells using a zinc coordination complex with a selective affinity for membrane surfaces that are enriched in phosphatidylserine SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Univ Notre Dame, Notre Dame, IN 46556 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. NR 0 TC 1 Z9 1 U1 0 U2 1 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 341A EP 341A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378501656 ER PT J AU Cho, EH Costes, SV Lockett, SJ AF Cho, EH Costes, SV Lockett, SJ TI Simple protocols for quantitative characterization of optical microscopy performance. SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 NCI, SAIC, Frederick, MD 21701 USA. Lawrence Berkeley Natl Lab, Berkeley, CA USA. RI Costes, Sylvain/D-2522-2013; Cho, Edward/B-3727-2012 OI Costes, Sylvain/0000-0002-8542-2389; Cho, Edward/0000-0002-0278-334X NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 344A EP 344A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378501671 ER PT J AU Mao, HB Arias-Gonzalez, JR Tinoco, I Bustamante, C AF Mao, HB Arias-Gonzalez, JR Tinoco, I Bustamante, C TI Cold phase transition of DNA in aqueous solution SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Lawrence Berkeley Natl Lab, Berkeley, CA USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RI Arias-Gonzalez, J. Ricardo/L-8538-2014 OI Arias-Gonzalez, J. Ricardo/0000-0001-6802-0874 NR 0 TC 0 Z9 0 U1 0 U2 3 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 347A EP 348A PN 2 PG 2 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378501692 ER PT J AU Brewer, LP Corzett, M Balhorn, R AF Brewer, LP Corzett, M Balhorn, R TI Single molecule study of spermiogenesis SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Lawrence Livermore Natl Lab, Livermore, CA USA. RI Brewer, Laurence/G-4056-2012 NR 0 TC 0 Z9 0 U1 0 U2 1 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 349A EP 349A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378501701 ER PT J AU Lu, HP AF Lu, HP TI Single-molecule protein "Fly fishing" in cell signaling and protein recognition SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Pacific NW Natl Lab, Richland, WA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 350A EP 350A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378501705 ER PT J AU Fore, S Yeh, Y Balhorn, R Huser, T Cosman, M AF Fore, S Yeh, Y Balhorn, R Huser, T Cosman, M TI Measurement of stoichiometries of single biomolecular complexes using FRET photon statistics SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Univ Calif Davis, Davis, CA 95616 USA. NSF, Ctr Biophoton Sci & Technol, Davis, CA USA. LLNL, Livermore, CA USA. RI Huser, Thomas/H-1195-2012 OI Huser, Thomas/0000-0003-2348-7416 NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 363A EP 363A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378501771 ER PT J AU Shroff, H Reinhard, B Siu, M Liphardt, J AF Shroff, H Reinhard, B Siu, M Liphardt, J TI Nanoscale sensors of mechanical force SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA USA. RI Shroff, Hari/E-7247-2016 OI Shroff, Hari/0000-0003-3613-8215 NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 364A EP 364A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378501774 ER PT J AU Sonnichsen, C Alivisatos, AP AF Sonnichsen, C Alivisatos, AP TI Gold nanorods as novel non-bleaching plasmon based orientation sensors SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RI Sonnichsen, Carsten/A-5682-2009; Alivisatos , Paul /N-8863-2015 OI Alivisatos , Paul /0000-0001-6895-9048 NR 0 TC 4 Z9 4 U1 0 U2 1 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 364A EP 365A PN 2 PG 2 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378501777 ER PT J AU Hertzog, D Michalet, X Jager, M Kong, XX Santiago, J Weiss, S Bakajin, O AF Hertzog, D Michalet, X Jager, M Kong, XX Santiago, J Weiss, S Bakajin, O TI Microsecond mixer for kinetic studies of protein folding SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Stanford Univ, LLNL, Livermore, CA USA. Univ Calif Los Angeles, Los Angeles, CA USA. Stanford Univ, Stanford, CA 94305 USA. RI weiss, shimon/B-4164-2009 OI weiss, shimon/0000-0002-0720-5426 NR 0 TC 1 Z9 1 U1 0 U2 1 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 376A EP 376A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378501830 ER PT J AU Paliwal, A Asthagiri, D Bossev, DP Paulaitis, ME AF Paliwal, A Asthagiri, D Bossev, DP Paulaitis, ME TI Pressure denaturation of staphylococcal nuclease studied by neutron small-angle scattering and molecular simulation SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Johns Hopkins Univ, Baltimore, MD USA. Los Alamos Natl Lab, Los Alamos, NM USA. Indiana Univ, Bloomington, IN USA. RI Asthagiri, Dilipkumar/P-9450-2016 OI Asthagiri, Dilipkumar/0000-0001-5869-0807 NR 0 TC 1 Z9 1 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 377A EP 377A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378501836 ER PT J AU Friddle, RW Chan, YP Martin, SS Baldwin, EP Bustamante, C Baskin, RJ Noy, A AF Friddle, RW Chan, YP Martin, SS Baldwin, EP Bustamante, C Baskin, RJ Noy, A TI Mitochondrial DNA packaging in yeast: Interactions of Abf2p with DNA studied by atomic force microscopy and optical tweezers SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Lawrence Livermore Natl Lab, Livermore, CA USA. Univ Calif Davis, Davis, CA 95616 USA. Univ Calif Berkeley, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 382A EP 382A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378501860 ER PT J AU Heller, WT Baker, SN Baker, GA AF Heller, WT Baker, SN Baker, GA TI Structural and spectroscopic studies of covalently modified proteins in ionic liquids: Hemoglobin and cytochrome c SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Oak Ridge Natl Lab, Oak Ridge, TN USA. Los Alamos Natl Lab, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 387A EP 387A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378501887 ER PT J AU Agarwal, PK AF Agarwal, PK TI Protein vibrations promote enzyme catalysis SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Oak Ridge Natl Lab, Oak Ridge, TN USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 388A EP 388A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378501892 ER PT J AU Egea, PF Tsuruta, H Shan, SO Napetschnig, J Savage, DF Walter, P Stroud, RM AF Egea, PF Tsuruta, H Shan, SO Napetschnig, J Savage, DF Walter, P Stroud, RM TI The signal recognition particle and structural basis of protein targeting to membranes SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 UCSF, Dept Biophys & Biochem, San Francisco, CA USA. SSRL, Stanford, CA USA. NR 1 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 399A EP 399A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378501948 ER PT J AU Coskuner, O Paulaitis, ME Asthagiri, D AF Coskuner, O Paulaitis, ME Asthagiri, D TI Classical molecular dynamics and quantum mechanical studies of carbohydrates SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Johns Hopkins Univ, Baltimore, MD USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 403A EP 403A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378501965 ER PT J AU Siridechadilok, B Fraser, CS Hall, RJ Doudna, JA Nogales, E AF Siridechadilok, B Fraser, CS Hall, RJ Doudna, JA Nogales, E TI Structural characterization of human translation initiation complex eIF3 SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Univ Calif Berkeley, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Howard Hughes Med Inst, Berkeley, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 405A EP 405A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378501980 ER PT J AU Kitayama, A Drennan, A Rajh, T Tiede, DM Mandell, KE AF Kitayama, A Drennan, A Rajh, T Tiede, DM Mandell, KE TI Novel DNA structures as molecular wires SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Beloit Coll, Beloit, WI 53511 USA. Argonne Natl Lab, Argonne, IL 60439 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 411A EP 411A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378502005 ER PT J AU Ishitsuka, Y Arnt, L Ratajczak, M Majewski, J Tew, G Kjaer, K Lee, KYC AF Ishitsuka, Y Arnt, L Ratajczak, M Majewski, J Tew, G Kjaer, K Lee, KYC TI Insertion study of antimicrobial peptide mimicking polymer, meta-phenylene ethynylenes, with model cell membranes SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Univ Chicago, Dept Chem, Inst Biophys Dynam, Chicago, IL 60637 USA. Univ Chicago, James Franck Inst, Chicago, IL 60637 USA. Univ Massachusetts, Amherst, MA 01003 USA. Los Alamos Natl Lab, Los Alamos, NM USA. Riso Natl Lab, DK-4000 Roskilde, Denmark. RI Lujan Center, LANL/G-4896-2012; Ishitsuka, Yuji/J-1921-2014 OI Ishitsuka, Yuji/0000-0002-6780-7154 NR 0 TC 1 Z9 1 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 421A EP 421A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378502059 ER PT J AU Slade, AL Schroeder, AE Yip, CM Sasaki, DY AF Slade, AL Schroeder, AE Yip, CM Sasaki, DY TI Investigating tetanus toxin-membrane interactions via in situ scanning probe microscopy and fluorescence leakage studies SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ Toronto, Toronto, ON, Canada. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 424A EP 424A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378502074 ER PT J AU Sacksteder, CA Knyushko, TV Gopalan, B Camp, DG Squier, TC Bigelow, DJ AF Sacksteder, CA Knyushko, TV Gopalan, B Camp, DG Squier, TC Bigelow, DJ TI Increased sensitivity to tyrosine nitration is detected in signaling proteins SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Pacific NW Natl Lab, Richland, WA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 432A EP 433A PN 2 PG 2 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378502115 ER PT J AU Agarwal, PK Geist, A AF Agarwal, PK Geist, A TI The role of protein dynamics in enzyme catalysis, biomolecuiar recognition and protein folding SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Oak Ridge Natl Lab, Oak Ridge, TN USA. NR 0 TC 0 Z9 0 U1 1 U2 1 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 512A EP 512A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378502497 ER PT J AU Thayer, GE Koch, SJ Martin, JE Bachand, GD Bunker, BC AF Thayer, GE Koch, SJ Martin, JE Bachand, GD Bunker, BC TI Controlling the direction of microtubules on kinesin-coated surfaces using an electromagnet. SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 521A EP 521A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378502549 ER PT J AU Shen, N Colvin, M Huser, T AF Shen, N Colvin, M Huser, T TI Investigate cellular functions by directly probing structures inside living cells using femtosecond laser pulses SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Lawrence Livermore Natl Lab, Livermore, CA USA. RI Huser, Thomas/H-1195-2012 OI Huser, Thomas/0000-0003-2348-7416 NR 0 TC 0 Z9 0 U1 0 U2 2 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 522A EP 522A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378502551 ER PT J AU Hiddessen, AL Bearinger, JP Pallavicini, MG Colvin, ME AF Hiddessen, AL Bearinger, JP Pallavicini, MG Colvin, ME TI Bioengineered tools for analysis of cellular response to chemical signals SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Lawrence Livermore Natl Lab, Livermore, CA USA. Univ Calif Merced, Merced, CA USA. NR 0 TC 1 Z9 1 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 523A EP 523A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378502560 ER PT J AU Hu, DH Lu, HP AF Hu, DH Lu, HP TI Single-molecule enzymatic reaction on a bacterial cell surface SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Pacific NW Natl Lab, Richland, WA USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 524A EP 524A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378502566 ER PT J AU Kraft, ML Marxer, CG Weber, PK Hutcheon, ID Boxer, SG AF Kraft, ML Marxer, CG Weber, PK Hutcheon, ID Boxer, SG TI Quantitative analysis of membrane composition by secondary ion mass spectroscopy SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Stanford Univ, Stanford, CA 94305 USA. Lawrence Livermore Natl Lab, Livermore, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 530A EP 530A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378502594 ER PT J AU Frankel, DJ Burns, AR Oliver, J Wilson, B Pfeiffer, J AF Frankel, DJ Burns, AR Oliver, J Wilson, B Pfeiffer, J TI Membrane microdomains in RBL cells investigated by simultaneous atomic force microscopy and fluorescence imaging SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ New Mexico, Sch Med, Albuquerque, NM 87131 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 533A EP 533A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378502607 ER PT J AU Palsdottir, H Kulkarni, S Auer, M AF Palsdottir, H Kulkarni, S Auer, M TI 3D electron microscopy tomographic visualization of lipid rafts SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Lawrence Berkeley Lab, Berkeley, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 539A EP 539A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378502638 ER PT J AU Laurence, T Talley, C Huser, T Colvin, M AF Laurence, T Talley, C Huser, T Colvin, M TI Application of SERS nanoparticles to intracellular pH measurements SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Lawrence Livermore Natl Lab, Livermore, CA USA. Univ Calif, Merced, CA USA. RI Huser, Thomas/H-1195-2012 OI Huser, Thomas/0000-0003-2348-7416 NR 0 TC 1 Z9 1 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 553A EP 553A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378502706 ER PT J AU Chen, BW Mayer, MU Stenoien, DL Squier, TC AF Chen, BW Mayer, MU Stenoien, DL Squier, TC TI Dynamic motion of helix a in the amino-terminal domain of calmodulin is stabilized upon calcium activation. SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Pacific NW Natl Lab, Rchland, WA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 556A EP 556A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378502717 ER PT J AU Boschek, C Squier, TC Bigelow, DJ AF Boschek, C Squier, TC Bigelow, DJ TI Transient domain interactions within apo-calmodulin are disrupted upon calcium binding. SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 PNNL, Richland, WA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 557A EP 557A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378502724 ER PT J AU Brewer, SH Vu, DM Tang, YF Raleigh, DP Dyer, RB Franzen, S AF Brewer, SH Vu, DM Tang, YF Raleigh, DP Dyer, RB Franzen, S TI Investigation of the folding and unfolding of the villin headpiece subdomain by infrared spectroscopy SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 N Carolina State Univ, Raleigh, NC 27695 USA. Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA. SUNY Stony Brook, Stony Brook, NY 11794 USA. NR 0 TC 0 Z9 0 U1 1 U2 2 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 561A EP 561A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378502746 ER PT J AU Kasson, PM Huppa, JB Krogsgaard, M Davis, MM Brunger, AT AF Kasson, PM Huppa, JB Krogsgaard, M Davis, MM Brunger, AT TI Quantitative imaging of lymphocyte membrane protein reorganization and signaling SO BIOPHYSICAL JOURNAL LA English DT Article ID T-CELL-ACTIVATION; LEVEL SET METHOD; IMMUNOLOGICAL SYNAPSE; IN-VIVO; MUTUAL INFORMATION; CUTTING EDGE; RECEPTOR; DYNAMICS; REGISTRATION; MICROSCOPY AB Changes in membrane protein localization are critical to establishing cell polarity and regulating cell signaling. Fluorescence microscopy of labeled proteins allows visualization of these changes, but quantitative analysis is needed to study this aspect of cell signaling in full mechanistic detail. We have developed a novel approach for quantitative assessment of membrane protein redistribution based on four-dimensional video microscopy of fluorescently labeled proteins. Our analytic system provides robust automated methods for cell surface reconstruction, cell shape tracking, cell-surface distance measurement, and cluster formation analysis. These methods permit statistical analyses and testing of mechanistic hypotheses regarding cell signaling. We have used this approach to measure antigen-dependent clustering of signaling molecules in CD4(+) T lymphocytes, obtaining clustering velocities consistent with single-particle tracking data. Our system captures quantitative differences in clustering between signaling proteins with distinct biological functions. Our methods can be generalized to a range of cell-signaling phenomena and enable novel applications not feasible with single-particle studies, such as analysis of subcellular protein localization in live organ culture. C1 Stanford Univ, Sch Med, Howard Hughes Med Inst, Stanford, CA 94305 USA. Stanford Univ, Sch Med, Biophys Program, Stanford, CA USA. Stanford Univ, Sch Med, Med Sci Training Program, Stanford, CA USA. Stanford Univ, Sch Med, Dept Microbiol & Immunol, Stanford, CA USA. Stanford Univ, Sch Med, Dept Cellular & Mol Physiol, Stanford, CA USA. Stanford Univ, Sch Med, Dept Neurol & Neurol Sci, Stanford, CA USA. Stanford Univ, Sch Med, Stanford Synchrotron Radiat Lab, Stanford, CA USA. RP Brunger, AT (reprint author), Stanford Univ, Sch Med, Howard Hughes Med Inst, Stanford, CA 94305 USA. EM brunger@stanford.edu OI Brunger, Axel/0000-0001-5121-2036 NR 48 TC 6 Z9 6 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 BP 579 EP 589 DI 10.1529/biophysj.104.048827 PG 11 WC Biophysics SC Biophysics GA 884MY UT WOS:000226090900054 PM 15501943 ER PT J AU Li, JH Sacksteder, CA Squier, TC Bigelow, DJ AF Li, JH Sacksteder, CA Squier, TC Bigelow, DJ TI Diminished inhibition of the Ca-ATPase by phospholamban upon induction of helical structure within the hinge region of phospholamban SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Pacific NW Natl Lab, Richland, WA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 598A EP 598A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378502927 ER PT J AU Plomp, M Leighton, TJ Wheeler, KE Malkin, AJ AF Plomp, M Leighton, TJ Wheeler, KE Malkin, AJ TI The high-resolution architecture and structural dynamics of Bacillus spores SO BIOPHYSICAL JOURNAL LA English DT Article ID ATOMIC-FORCE MICROSCOPY; ULTRASTRUCTURE; MORPHOGENESIS; PORIN; COAT AB The capability to image single microbial cell surfaces at nanometer scale under native conditions would profoundly impact mechanistic and structural studies of pathogenesis, immunobiology, environmental resistance, and biotransformation. Here, using in vitro atomic force microscopy, we have directly visualized high-resolution native structures of bacterial endospores, including the exosporium and spore coats of four Bacillus species in air and water environments. Our results demonstrate that the mechanisms of spore coat self-assembly are similar to those described for inorganic and macromolecular crystallization. The dimensions of individual Bacillus atrophaeus spores decrease reversibly by 12% in response to a change in the environment from fully hydrated to air-dried state, establishing that the dormant spore is a dynamic physical structure. The interspecies distributions of spore length and width were determined for four species of Bacillus spores in water and air environments. The dimensions of individual spores differ significantly depending upon species, growth regimes, and environmental conditions. These findings may be useful in the reconstruction of environmental and physiological conditions during spore formation and for modeling the inhalation and dispersal of spores. This study provides a direct insight into molecular architecture and structural variability of bacterial endospores as a function of spatial and developmental organizational scales. C1 Lawrence Livermore Natl Lab, BioSecur & Nanosci Lab, Livermore, CA 94551 USA. Childrens Hosp Oakland, Res Inst, Oakland, CA 94609 USA. RP Malkin, AJ (reprint author), Lawrence Livermore Natl Lab, BioSecur & Nanosci Lab, Livermore, CA 94551 USA. EM malkin1@llnl.gov NR 25 TC 84 Z9 86 U1 3 U2 10 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 BP 603 EP 608 DI 10.1529/biophysj.104.049312 PG 6 WC Biophysics SC Biophysics GA 884MY UT WOS:000226090900056 PM 15501940 ER PT J AU Wang, HW Nogales, E AF Wang, HW Nogales, E TI Elucidating the structural mechanism of microtubule dynamics by cryoelectron microscopy SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 LBNL, Berkeley, CA USA. Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 642A EP 642A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378503139 ER PT J AU Sindelar, CV Downing, KH AF Sindelar, CV Downing, KH TI Towards an atomic-resolution structure of the kinesin-microtubule complex SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 1 U2 1 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 650A EP 650A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378503183 ER PT J AU Gradinaru, C Luong, AK Chandler, D Hayden, CC AF Gradinaru, C Luong, AK Chandler, D Hayden, CC TI Single molecule FRET studies on model peptides using a time and frequency resolved fluorescence microscope SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Sandia Natl Labs, Livermore, CA USA. NR 0 TC 0 Z9 0 U1 1 U2 3 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 661A EP 661A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378503241 ER PT J AU Kong, XX Laurence, TA Jaeger, M Weiss, S AF Kong, XX Laurence, TA Jaeger, M Weiss, S TI Probing conformational landscapes of individual states using nanosecond-scale alternating laser excitation (ns-ALEX) SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Univ Calif Los Angeles, Los Angeles, CA USA. Lawrence Livermore Natl Lab, Livermore, CA USA. RI Laurence, Ted/E-4791-2011 OI Laurence, Ted/0000-0003-1474-779X NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 661A EP 661A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378503237 ER PT J AU Nir, E Laurence, TA Weiss, S AF Nir, E Laurence, TA Weiss, S TI Measuring fast conformational dynamics of freely diffusing single molecules SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 49th Annual Meeting of the Biopysical-Society CY FEB 12-16, 2005 CL Long Beach, CA SP Biopys Soc C1 Univ Calif Los Angeles, Los Angeles, CA USA. Lawrence Livermore Natl Lab, Livermore, CA USA. RI Laurence, Ted/E-4791-2011; weiss, shimon/B-4164-2009 OI Laurence, Ted/0000-0003-1474-779X; weiss, shimon/0000-0002-0720-5426 NR 0 TC 0 Z9 0 U1 0 U2 1 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JAN PY 2005 VL 88 IS 1 SU S BP 661A EP 661A PN 2 PG 1 WC Biophysics SC Biophysics GA 888MM UT WOS:000226378503238 ER PT J AU Kwon, Y Coleman, MA Camarero, JA AF Kwon, Y Coleman, MA Camarero, JA TI New tools for the site-specific attachment of proteins to surfaces SO BIOPOLYMERS LA English DT Meeting Abstract CT 19th American Peptide Symposium CY JUN 18-23, 2005 CL San Diego, CA SP Amer Peptide Soc, AAPPTEC, Amer Peptide Co, Amer Hlth/GE Healthcare, Amgen Inc, BACHEM, BIOMOL Int, C S Bio Co, Cambridge Res Biochem, Chemico Int Inc, Chem Today, Eli Lilly & Co, ESCOM Sci Fdn, Genentech, Hofffman-La Roche Inc, Merck Res Lab, Midwest Bio-Tech Inc, NeoMPS Inc, New England BioLabs Inc, Novo Nordisk A/S, Peptides Int Inc, PharmaChem, PolyPeptide Lab Inc, RSP Amino Acide LLC, Senn Chem USA, Sinopep Pharmaceut Inc, SynPep Corp, Synthetech Inc, UCB Bioproducts Inc C1 Lawrence Livermore Natl Lab, Chem Bio & Nucl Sci Div, Livermore, CA USA. Lawrence Livermore Natl Lab, Biosci Directorate, Livermore, CA USA. RI Camarero, Julio/A-9628-2015 NR 0 TC 0 Z9 0 U1 0 U2 0 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0006-3525 J9 BIOPOLYMERS JI Biopolymers PY 2005 VL 80 IS 4 BP 499 EP 499 PG 1 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 937CC UT WOS:000229901200074 ER PT J AU Kimura, R Krishnan, K Camarero, JA AF Kimura, R Krishnan, K Camarero, JA TI Biosynthesis of the cyclotide Kalata B1 using protein splicing tools SO BIOPOLYMERS LA English DT Meeting Abstract CT 19th American Peptide Symposium CY JUN 18-23, 2005 CL San Diego, CA SP Amer Peptide Soc, AAPPTEC, Amer Peptide Co, Amer Hlth/GE Healthcare, Amgen Inc, BACHEM, BIOMOL Int, C S Bio Co, Cambridge Res Biochem, Chemico Int Inc, Chem Today, Eli Lilly & Co, ESCOM Sci Fdn, Genentech, Hofffman-La Roche Inc, Merck Res Lab, Midwest Bio-Tech Inc, NeoMPS Inc, New England BioLabs Inc, Novo Nordisk A/S, Peptides Int Inc, PharmaChem, PolyPeptide Lab Inc, RSP Amino Acide LLC, Senn Chem USA, Sinopep Pharmaceut Inc, SynPep Corp, Synthetech Inc, UCB Bioproducts Inc C1 Lawrence Livermore Natl Lab, Chem Biol & Nucl Sci Div, Livermore, CA USA. RI Camarero, Julio/A-9628-2015 NR 0 TC 2 Z9 2 U1 0 U2 0 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0006-3525 J9 BIOPOLYMERS JI Biopolymers PY 2005 VL 80 IS 4 BP 537 EP 537 PG 1 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 937CC UT WOS:000229901200249 ER PT J AU Kwon, Y Coleman, MA Camarero, JA AF Kwon, Y Coleman, MA Camarero, JA TI Selective immobilization of proteins onto surfaces through split-intein mediated protein trans-splicing SO BIOPOLYMERS LA English DT Meeting Abstract CT 19th American Peptide Symposium CY JUN 18-23, 2005 CL San Diego, CA SP Amer Peptide Soc, AAPPTEC, Amer Peptide Co, Amer Hlth/GE Healthcare, Amgen Inc, BACHEM, BIOMOL Int, C S Bio Co, Cambridge Res Biochem, Chemico Int Inc, Chem Today, Eli Lilly & Co, ESCOM Sci Fdn, Genentech, Hofffman-La Roche Inc, Merck Res Lab, Midwest Bio-Tech Inc, NeoMPS Inc, New England BioLabs Inc, Novo Nordisk A/S, Peptides Int Inc, PharmaChem, PolyPeptide Lab Inc, RSP Amino Acide LLC, Senn Chem USA, Sinopep Pharmaceut Inc, SynPep Corp, Synthetech Inc, UCB Bioproducts Inc C1 Lawrence Livermore Natl Lab, Div Chem Biol & Nucl Sci, Livermore, CA 94550 USA. Lawrence Livermore Natl Lab, Biosci Directorate, Livermore, CA 94550 USA. RI Camarero, Julio/A-9628-2015 NR 0 TC 0 Z9 0 U1 0 U2 0 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0006-3525 J9 BIOPOLYMERS JI Biopolymers PY 2005 VL 80 IS 4 BP 598 EP 598 PG 1 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 937CC UT WOS:000229901200533 ER PT J AU Kwon, Y Coleman, MA Camarero, JA AF Kwon, Y Coleman, MA Camarero, JA TI New tools for the site-specific attachment of proteins to surfaces SO BIOPOLYMERS LA English DT Meeting Abstract CT 19th American Peptide Symposium CY JUN 18-23, 2005 CL San Diego, CA SP Amer Peptide Soc, AAPPTEC, Amer Peptide Co, Amer Hlth/GE Healthcare, Amgen Inc, BACHEM, BIOMOL Int, C S Bio Co, Cambridge Res Biochem, Chemico Int Inc, Chem Today, Eli Lilly & Co, ESCOM Sci Fdn, Genentech, Hofffman-La Roche Inc, Merck Res Lab, Midwest Bio-Tech Inc, NeoMPS Inc, New England BioLabs Inc, Novo Nordisk A/S, Peptides Int Inc, PharmaChem, PolyPeptide Lab Inc, RSP Amino Acide LLC, Senn Chem USA, Sinopep Pharmaceut Inc, SynPep Corp, Synthetech Inc, UCB Bioproducts Inc C1 Lawrence Livermore Natl Lab, Chem Biol & Nucl Sci Div, Livermore, CA 94550 USA. Lawrence Livermore Natl Lab, Biosci Directorate, Livermore, CA 94550 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0006-3525 J9 BIOPOLYMERS JI Biopolymers PY 2005 VL 80 IS 4 BP 600 EP 600 PG 1 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 937CC UT WOS:000229901200544 ER PT J AU Gourley, PL AF Gourley, PL TI Brief overview of BioMicroNano technologies SO BIOTECHNOLOGY PROGRESS LA English DT Article; Proceedings Paper CT Conference on Cell Culture Engineering IX CY MAR 07-12, 2004 CL Cancun, MEXICO ID CELL-CULTURE ANALOG; FABRICATION; DEVICES; MICROARRAYS; MOTORS; CHIP; MICROFABRICATION; NANOTECHNOLOGY; IMMUNOASSAYS; INTEGRATION AB This paper provides a brief overview of the fields of biological micro-electromechanical systems (bioMEMs) and associated nanobiotechnologies, collectively denoted as BioMicroNano. Although they are developing at a very rapid pace and still redefining themselves, several stabilized areas of research and development can be identified. Six major areas are delineated, and specific examples are discussed and illustrated. Various applications of the technologies are noted, and potential market sizes are compared. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Gourley, PL (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 62 TC 38 Z9 43 U1 0 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 8756-7938 J9 BIOTECHNOL PROGR JI Biotechnol. Prog. PD JAN-FEB PY 2005 VL 21 IS 1 BP 2 EP 10 DI 10.1021/bp0498239 PG 9 WC Biotechnology & Applied Microbiology; Food Science & Technology SC Biotechnology & Applied Microbiology; Food Science & Technology GA 896LE UT WOS:000226934800002 PM 15903234 ER PT J AU Barcellos-Hoff, MH Medina, D AF Barcellos-Hoff, MH Medina, D TI New highlights on stroma-epithelial interactions in breast cancer SO BREAST CANCER RESEARCH LA English DT Review DE breast; carcinogenesis; chemical carcinogen; radiation; stroma; transforming growth factor beta 1 ID GROWTH-FACTOR-BETA; MAMMARY-GLAND DEVELOPMENT; TGF-BETA; IN-VIVO; TUMOR; CARCINOGENESIS; MOUSE; MICROENVIRONMENT; DIFFERENTIATION; FIBROBLASTS AB Although the stroma in which carcinomas arise has been previously regarded as a bystander to the clonal expansion and acquisition of malignant characteristics of tumor cells, it is now generally acknowledged that stromal changes are required for the establishment of cancer. In the present article, we discuss three recent publications that highlight the complex role the stroma has during the development of cancer and the potential for targeting the stroma by therapeutic approaches. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. Baylor Sch Med, Dept Mol & Cellular Biol, Houston, TX USA. RP Barcellos-Hoff, MH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. EM mhbarcellos-hoff@lbl.gov FU NIEHS NIH HHS [U01 ES012801] NR 41 TC 48 Z9 54 U1 0 U2 3 PU BIOMED CENTRAL LTD PI LONDON PA MIDDLESEX HOUSE, 34-42 CLEVELAND ST, LONDON W1T 4LB, ENGLAND SN 1465-5411 J9 BREAST CANCER RES JI Breast Cancer Res. PY 2005 VL 7 IS 1 BP 33 EP 36 DI 10.1186/bcr972 PG 4 WC Oncology SC Oncology GA 886RV UT WOS:000226247000007 PM 15642180 ER PT J AU Adriance, MC Inman, JL Petersen, OW Bissell, MJ AF Adriance, MC Inman, JL Petersen, OW Bissell, MJ TI Myoepithelial cells: good fences make good neighbors SO BREAST CANCER RESEARCH LA English DT Review ID MAMMARY EPITHELIAL-CELLS; BREAST-CANCER CELLS; RECEPTOR TYROSINE KINASE; BASEMENT-MEMBRANE PROTEINS; FIBROBLAST-GROWTH-FACTOR; SMOOTH MUSCLE ACTIN; MONOCLONAL-ANTIBODY; GLAND DEVELOPMENT; TUMOR-SUPPRESSOR; P-CADHERIN AB The mammary gland consists of an extensively branched ductal network contained within a distinctive basement membrane and encompassed by a stromal compartment. During lactation, production of milk depends on the action of the two epithelial cell types that make up the ductal network: luminal cells, which secrete the milk components into the ductal lumen; and myoepithelial cells, which contract to aid in the ejection of milk. There is increasing evidence that the myoepithelial cells also play a key role in the organizational development of the mammary gland, and that the loss and/or change of myoepithelial cell function is a key step in the development of breast cancer. In this review we briefly address the characteristics of breast myoepithelial cells from human breast and mouse mammary gland, how they function in normal mammary gland development, and their recently appreciated role in tumor suppression. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. Univ Copenhagen, Panum Inst, Inst Med Anat, Struct Cell Biol Unit, DK-2200 Copenhagen, Denmark. RP Bissell, MJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. EM mjbissell@lbl.gov FU NCI NIH HHS [CA 57621, CA 64786, R01 CA057621, R01 CA064786, R37 CA064786] NR 103 TC 113 Z9 113 U1 1 U2 6 PU BIOMED CENTRAL LTD PI LONDON PA MIDDLESEX HOUSE, 34-42 CLEVELAND ST, LONDON W1T 4LB, ENGLAND SN 1465-5411 J9 BREAST CANCER RES JI Breast Cancer Res. PY 2005 VL 7 IS 5 BP 190 EP 197 DI 10.1186/bcr1286 PG 8 WC Oncology SC Oncology GA 970TJ UT WOS:000232332200006 PM 16168137 ER PT J AU Bissell, MJ Myers, C Lee, G Lee, E Rizki, A Mian, S Gray, J Radisky, D AF Bissell, MJ Myers, C Lee, G Lee, E Rizki, A Mian, S Gray, J Radisky, D TI A breast cancer progression model: the importance of three-dimensional tissue architecture and metalloproteinases SO BREAST CANCER RESEARCH LA English DT Meeting Abstract CT 3rd International Symposium on the Molecular Biology of Breast Cancer CY JUN 22-26, 2005 CL Molde, NORWAY ID SIGNALING PATHWAYS; EPITHELIAL-CELLS; PHENOTYPE; REVERSION; GROWTH C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. NR 11 TC 0 Z9 0 U1 1 U2 1 PU BIOMED CENTRAL LTD PI LONDON PA MIDDLESEX HOUSE, 34-42 CLEVELAND ST, LONDON W1T 4LB, ENGLAND SN 1465-5411 J9 BREAST CANCER RES JI Breast Cancer Res. PY 2005 VL 7 SU 2 BP S6 EP S6 DI 10.1186/bcr1058 PG 1 WC Oncology SC Oncology GA 970SS UT WOS:000232330500013 ER PT J AU Chin, K Devries, S Fridlyand, J Spellman, P Kuo, WL Lapuk, A Neve, R Tokuyasu, T Kingsley, C Dairkee, S Chew, K Jain, A Ljung, BM Esserman, L Waldman, F Gray, JW AF Chin, K Devries, S Fridlyand, J Spellman, P Kuo, WL Lapuk, A Neve, R Tokuyasu, T Kingsley, C Dairkee, S Chew, K Jain, A Ljung, BM Esserman, L Waldman, F Gray, JW TI Genomic and transcriptional events associated with poor clinical responses to conventional therapies SO BREAST CANCER RESEARCH LA English DT Meeting Abstract CT 3rd International Symposium on the Molecular Biology of Breast Cancer CY JUN 22-26, 2005 CL Molde, NORWAY C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Calif San Francisco, San Francisco, CA 94143 USA. Calif Pacific Med Ctr, San Francisco, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOMED CENTRAL LTD PI LONDON PA MIDDLESEX HOUSE, 34-42 CLEVELAND ST, LONDON W1T 4LB, ENGLAND SN 1465-5411 J9 BREAST CANCER RES JI Breast Cancer Res. PY 2005 VL 7 SU 2 BP S6 EP S6 DI 10.1186/bcr1059 PG 1 WC Oncology SC Oncology GA 970SS UT WOS:000232330500014 ER PT J AU Tainer, JA AF Tainer, JA TI Envisioning new targets and new approaches for molecular-based cancer therapeutics SO BREAST CANCER RESEARCH LA English DT Meeting Abstract CT 3rd International Symposium on the Molecular Biology of Breast Cancer CY JUN 22-26, 2005 CL Molde, NORWAY C1 Lawrence Berkeley Lab, La Jolla, CA USA. Skaggs Inst Chem Biol, La Jolla, CA USA. Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BIOMED CENTRAL LTD PI LONDON PA MIDDLESEX HOUSE, 34-42 CLEVELAND ST, LONDON W1T 4LB, ENGLAND SN 1465-5411 J9 BREAST CANCER RES JI Breast Cancer Res. PY 2005 VL 7 SU 2 BP S16 EP S16 DI 10.1186/bcr1087 PG 1 WC Oncology SC Oncology GA 970SS UT WOS:000232330500040 ER PT J AU Feinendegen, LE AF Feinendegen, LE TI Evidence for beneficial low level radiation effects and radiation hormesis SO BRITISH JOURNAL OF RADIOLOGY LA English DT Article; Proceedings Paper CT UK Radiological Congress CY 2004 CL Manchester, ENGLAND ID PROTECTIVE RESPONSES; ADAPTIVE RESPONSE; MECHANISMS; INDUCTION; DAMAGE; RISKS; DNA AB Low doses in the mGy range cause a dual effect on cellular DNA. One is a relatively low probability of DNA damage per energy deposition event and increases in proportion to the dose. At background exposures this damage to DNA is orders of magnitude lower than that from endogenous sources, such as reactive oxygen species. The other effect at comparable doses is adaptive protection against DNA damage from many, mainly endogenous, sources, depending on cell type, species and metabolism. Adaptive protection causes DNA damage prevention and repair and immune stimulation. It develops with a delay of hours, may last for days to months, decreases steadily at doses above about 100 mGy to 200 mGy and is not observed any more after acute exposures of more than about 500 mGy. Radiation-induced apoptosis and terminal cell differentiation also occur at higher doses and add to protection by reducing genomic instability and the number of mutated cells in tissues. At low doses reduction of damage from endogenous sources by adaptive protection maybe equal to or outweigh radiogenic damage induction. Thus, the linear-no-threshold (LNT) hypothesis for cancer risk is scientifically unfounded and appears to be invalid in favour of a threshold or hormesis. This is consistent with data both from animal studies and human epidemiological observations on low-dose induced cancer. The LNT hypothesis should be abandoned and be replaced by a hypothesis that is scientifically justified and causes less unreasonable fear and unnecessary expenditure. C1 Univ Dusseldorf, D-4000 Dusseldorf, Germany. Brookhaven Natl Lab, Upton, NY 11973 USA. RP Feinendegen, LE (reprint author), Univ Dusseldorf, D-4000 Dusseldorf, Germany. NR 20 TC 191 Z9 216 U1 5 U2 34 PU BRITISH INST RADIOLOGY PI LONDON PA 36 PORTLAND PLACE, LONDON W1N 4AT, ENGLAND SN 0007-1285 J9 BRIT J RADIOL JI Br. J. Radiol. PD JAN PY 2005 VL 78 IS 925 BP 3 EP 7 DI 10.1259/bjr/63353075 PG 5 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA 895TG UT WOS:000226885900002 PM 15673519 ER PT J AU Zhao, DH Wilson, M Borders, BE AF Zhao, DH Wilson, M Borders, BE TI Modeling response curves and testing treatment effects in repeated measures experiments: a multilevel nonlinear mixed-effects model approach SO CANADIAN JOURNAL OF FOREST RESEARCH-REVUE CANADIENNE DE RECHERCHE FORESTIERE LA English DT Article ID GROWTH; YIELD; FORESTRY; HEIGHT AB A multilevel nonlinear mixed-effects modeling approach is used to model loblolly pine (Pinus taeda L.) stand volume growth in conjunction with four silvicultural treatments. Comparisons of treatment effects over time are integrated with the model-building process. Three-level random effects are introduced into a modified Richards growth model. Within-plot heterogeneity and correlation still occur, which are described by the exponential variance function and a first-order autoregressive model. The combination of complete vegetation control with fertilization results in the largest growth response; annual fertilization has the next largest growth response, with the exception that at very early stages the response is lower than that of vegetation control only; the control has the lowest growth response. The advantages of the multilevel nonlinear mixed effects model include its ability to handle unbalanced and incomplete repeated measures data, its flexibility to model multiple sources of heterogeneity and complex patterns of correlation, and its higher power to make treatment comparisons. We address in detail a general strategy of multilevel nonlinear mixed effects model building. C1 Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. Univ Georgia, Warnell Sch Forest Resources, Athens, GA 30602 USA. RP Zhao, DH (reprint author), Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. EM zhao_dehai@srel.edu OI Wilson, Machelle/0000-0003-1734-2755 NR 25 TC 29 Z9 37 U1 1 U2 10 PU NATL RESEARCH COUNCIL CANADA PI OTTAWA PA RESEARCH JOURNALS, MONTREAL RD, OTTAWA, ONTARIO K1A 0R6, CANADA SN 0045-5067 J9 CAN J FOREST RES JI Can. J. For. Res.-Rev. Can. Rech. For. PD JAN PY 2005 VL 35 IS 1 BP 122 EP 132 DI 10.1139/X04-163 PG 11 WC Forestry SC Forestry GA 898JQ UT WOS:000227073500012 ER PT J AU Blishchenko, EY Sazonova, OV Kalinina, OA Moiseeva, EV Vass, AA Karelin, AA Ivanov, VT AF Blishchenko, EY Sazonova, OV Kalinina, OA Moiseeva, EV Vass, AA Karelin, AA Ivanov, VT TI Anti-tumor effect of valorphin in vitro and in vivo - Combined action with cytostatic drugs SO CANCER BIOLOGY & THERAPY LA English DT Article DE valorphin; endogenous antiproliferative peptide; experimental therapy; cytostatic drug; epirubicin; combinatorial treatment; additive effect; lifespan elongation ID OPIOID GROWTH-FACTOR; AMINO-ACID-SEQUENCES; TISSUE-CULTURE; CELL-GROWTH; TRIPEPTIDE PYROGLU-PHE-GLYNH(2); INHIBITING TRIPEPTIDE; BETA-CHAIN; HEMOGLOBIN; RECEPTORS; PEPTIDES AB The action of the cytostatic drugs (epirubicin and vincristine) in combination with the endogenous antiproliferative beta-hemoglobin fragment (33-39), valorphin, was studied in tumor (1.929 and A549) cell cultures, primary culture of murine bone marrow cells and in murine model of breast carcinoma in vivo. Simultaneous application of I PM valorphin and 1 mu M epirubicin, in vitro, did not result in an additive suppressive effect on cell culture growth. Additive effects were achieved with alternating applications of the peptide and the drugs, namely, 0.5 mu M (but not 1 mu M) epirubicin added 24 h prior to 1 mu M valorphin; 1 mu M valorphin added 48 h prior to 0.1 mu M epirubicin, or 0.1 mu M vincristine, or 0.05 mu M vincristine, which resulted in 100% cell death in the both series with vincristine and up to 78% cell biomass reduction in the experiments with epirubicin. In the in vivo model (female BLRB mice with subcutaneously inoculated syngeneic mammary carcinoma), simultaneous treatment with 25 mg/m(2) epirubicin and 1 mg/kg valorphin resulted in 42% of tumor growth inhibition, as compared with the negative control group and 22% inhibition as compared with the epirubcin-treated group (at 20th day of treatment). Survival was significantly improved (69% compared to 39% in the group treated with epirubicin only) at day 26 after the treatment beginning. C1 Shemyakin Ovchinnikov Inst Bioorgan Chem, Moscow 117997, Russia. Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Sazonova, OV (reprint author), Shemyakin Ovchinnikov Inst Bioorgan Chem, Miklukho Maklaya 16-10,GSP V-437, Moscow 117997, Russia. EM sazonova@mail.ibch.ru NR 44 TC 10 Z9 10 U1 0 U2 0 PU LANDES BIOSCIENCE PI GEORGETOWN PA 810 SOUTH CHURCH STREET, GEORGETOWN, TX 78626 USA SN 1538-4047 J9 CANCER BIOL THER JI Cancer Biol. Ther. PD JAN PY 2005 VL 4 IS 1 BP 118 EP 124 PG 7 WC Oncology SC Oncology GA 948RF UT WOS:000230732700022 PM 15662114 ER PT J AU Bissell, MJ LaBarge, MA AF Bissell, MJ LaBarge, MA TI Context, tissue plasticity, and cancer: Are tumor stem cells also regulated by the microenvironment? SO CANCER CELL LA English DT Review ID BREAST EPITHELIAL-CELLS; MUSCLE SATELLITE CELLS; ROUS-SARCOMA VIRUS; EXTRACELLULAR-MATRIX; SIGNALING PATHWAYS; MAMMARY-GLAND; TGF-BETA; MYOEPITHELIAL CELLS; IONIZING-RADIATION; JUVENILE POLYPOSIS C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Canc Biol, Div Life Sci, Berkeley, CA 94720 USA. RP Bissell, MJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Canc Biol, Div Life Sci, Berkeley, CA 94720 USA. EM mjbissell@lbl.gov RI LaBarge, Mark/E-2621-2013 FU NCI NIH HHS [R01 CA057621, R01 CA057621-10, R01 CA064786, R01 CA064786-10, U01 CA143233, U01 CA143233-01, U54 CA112970, U54 CA112970-01, U54 CA126552, U54 CA126552-01, U54 CA143836, U54 CA143836-01] NR 72 TC 315 Z9 329 U1 4 U2 25 PU CELL PRESS PI CAMBRIDGE PA 1100 MASSACHUSETTS AVE, CAMBRIDGE, MA 02138 USA SN 1535-6108 J9 CANCER CELL JI Cancer Cell PD JAN PY 2005 VL 7 IS 1 BP 17 EP 23 DI 10.1016/j.ccr.2004.12.013 PG 7 WC Oncology; Cell Biology SC Oncology; Cell Biology GA 890TF UT WOS:000226533000004 PM 15652746 ER PT J AU Hillegonds, DJ Burton, DW Fitzgerald, RL Denk, E Walczyk, TR Deftos, LJ Vogel, JS AF Hillegonds, DJ Burton, DW Fitzgerald, RL Denk, E Walczyk, TR Deftos, LJ Vogel, JS TI Ca-41 on the horizon of individual bone turnover assessment: Preclinical results and bisphosphonate response in osteopenic postmenopausal women SO CANCER TREATMENT REVIEWS LA English DT Meeting Abstract CT 5th International Conference on Cancer Induced Bone Disease (CIBD) CY MAR 20-24, 2005 CL Davos, SWITZERLAND C1 Lawrence Livermore Natl Lab, Livermore, CA USA. Univ Calif San Diego, San Diego, CA 92103 USA. Swiss Fed Inst Technol, Zurich, Switzerland. NR 0 TC 2 Z9 2 U1 0 U2 0 PU W B SAUNDERS CO LTD PI LONDON PA 32 JAMESTOWN RD, LONDON NW1 7BY, ENGLAND SN 0305-7372 J9 CANCER TREAT REV JI Cancer Treat. Rev. PY 2005 VL 31 SU 1 MA 97 BP S51 EP S52 PG 2 WC Oncology SC Oncology GA 921NJ UT WOS:000228771000096 ER PT J AU Braun, A Huggins, FE Shah, N Chen, Y Wirick, S Mun, SB Jacobsen, C Huffman, GP AF Braun, A Huggins, FE Shah, N Chen, Y Wirick, S Mun, SB Jacobsen, C Huffman, GP TI Advantages of soft X-ray absorption over TEM-EELS for solid carbon studies - a comparative study on diesel soot with EELS and NEXAFS SO CARBON LA English DT Article DE soot; combustion; electron energy loss spectroscopy; functional groups ID SPECTROMICROSCOPY; SPECTROSCOPY; MICROSCOPE; PARTICLES AB Diesel soot was investigated with electron energy loss spectroscopy (EELS) and near edge X-ray absorption fine structure spectroscopy (NEXAFS). The EELS spectra were obtained in connection with transmission electron microscopy studies, whereas the NEXAFS were obtained from a scanning transmission X-ray microscope (STXM) and from a conventional NEXAFS beamline at two synchrotron facilities. The X-ray absorption spectra show molecular species, aliphatics, such as carboxyl, and C-H bonds, which are not visible in EELS spectra of the same material. In particular, EELS fails to detect surface-functional groups, which can be detected with NEXAFS. Since numerous works on molecular carbon structure determined with TEM-EELS have been published, it is possible that these results have to be reassessed. (C) 2004 Elsevier Ltd. All rights reserved. C1 Univ Kentucky, Consortium Fossil Fuel Sci, Lexington, KY 40506 USA. Brookhaven Natl Lab, Natl Synchrotron Light Source Dept, Upton, NY 11973 USA. Ernest Orlando Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Braun, A (reprint author), Univ Kentucky, Consortium Fossil Fuel Sci, Suite 107 Sam Whalen Bldg,533 S Limestone St, Lexington, KY 40506 USA. EM abraun@lbl.gov RI Huggins, Frank/A-8861-2009; Ye, Peng/E-2742-2010; Jacobsen, Chris/E-2827-2015; BRAUN, Artur/A-1154-2009; OI Jacobsen, Chris/0000-0001-8562-0353; BRAUN, Artur/0000-0002-6992-7774; Chen, Yuanzhi/0000-0001-9749-7313 NR 24 TC 88 Z9 90 U1 2 U2 39 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-6223 J9 CARBON JI Carbon PY 2005 VL 43 IS 1 BP 117 EP 124 DI 10.1016/j.carbon.2004.08.029 PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 877SW UT WOS:000225591500014 ER PT J AU Wu, XX Radovic, LR AF Wu, XX Radovic, LR TI Catalytic oxidation of carbon/carbon composite materials in the presence of potassium and calcium acetates SO CARBON LA English DT Article DE carbon/carbon composites; graphite; impregnation; oxidation; catalytic properties; reactivity ID CARBON-CARBON COMPOSITES; PEROVSKITE-TYPE OXIDE; ALKALI-METAL CARBONATES; ACTIVATED CARBONS; NO REDUCTION; CHAR OXIDATION; COAL CHARS; AIR GASIFICATION; CELLULOSIC CHARS; OXYGEN REACTION AB The catalytic effects of potassium acetate (KAC) and calcium acetate (CaAC)on the oxidation of carbon/carbon composites (C/C composites) used in aircraft brake system have been characterized. Potassium exhibited a very strong catalytic effect on the oxidation of the selected carbon samples, including C/C composite blocks impregnated with aqueous KAC solution and graphite powder physically mixed with KAC powder. The initial amount of catalyst loading and the pre-treatment in inert gas were found to affect its catalytic effectiveness. Impregnated calcium was also a good catalyst for the oxidation of C/C composites, but its effectiveness is much lower than that of potassium and is much less sensitive to catalyst loading amount and pre-treatment. Calcium acetate physically mixed with graphite powder only showed a slight catalytic effect. The experimental results suggested that the interfacial contact between catalyst and carbon is the key factor determining catalytic effectiveness, in agreement with previous studies using porous carbon materials. Due to its unique wetting ability and mobility on the carbon surface, potassium can form and maintain such contact with carbon and is, therefore, more effective in the C-O(2) reaction than calcium. The formation and development of such contact, which can also be affected by catalyst loading and pre-treatment process, can explain well the influence of these experimental conditions on the catalytic effect of potassium. The decreasing trend of reactivity with increasing burn-off in calcium-catalyzed oxidation is a result of interfacial contact loss because calcium does not have the necessary mobility to maintain such contact during reaction. (C) 2004 Elsevier Ltd. All rights reserved. C1 Penn State Univ, Dept Energy & Geoenvironm Engn, University Pk, PA 16802 USA. RP Wu, XX (reprint author), Oak Ridge Natl Lab, Carbon Mat & Technol Grp, 1 Bethel Valley Rd,POB 2008,MS 6087, Oak Ridge, TN 37831 USA. EM wux@ornl.gov RI Radovic, Ljubisa/B-3306-2012 NR 70 TC 28 Z9 28 U1 0 U2 20 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-6223 J9 CARBON JI Carbon PY 2005 VL 43 IS 2 BP 333 EP 344 DI 10.1016/j.carbon.2004.09.025 PG 12 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 881IK UT WOS:000225856400014 ER PT J AU Wu, XX Kercher, AK Schwartz, V Overbury, SH Armstrong, TR AF Wu, XX Kercher, AK Schwartz, V Overbury, SH Armstrong, TR TI Activated carbons for selective catalytic oxidation of hydrogen sulfide to sulfur SO CARBON LA English DT Article DE activated carbon; catalyst, oxidation; catalytic properties ID NATURAL-GAS; MECHANISM C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Wu, XX (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM x3w@ornl.gov RI Overbury, Steven/C-5108-2016; Kercher, Andrew/K-1147-2016 OI Overbury, Steven/0000-0002-5137-3961; Kercher, Andrew/0000-0003-1784-5686 NR 11 TC 15 Z9 19 U1 1 U2 11 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-6223 J9 CARBON JI Carbon PY 2005 VL 43 IS 5 BP 1087 EP 1090 DI 10.1016/j.carbon.2004.11.033 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 908DM UT WOS:000227767500025 ER PT J AU Shin, YS Wang, CM Li, XHS Exarhos, GJ AF Shin, YS Wang, CM Li, XHS Exarhos, GJ TI Synthesis of supported carbon nanotubes in mineralized silica-wood composites SO CARBON LA English DT Article DE carbon nanotubes; arbonization, etching; BET surface area, X-ray diffraction; porosity ID HIERARCHICALLY ORDERED CERAMICS; MESOSTRUCTURED SILICA; CELLULAR STRUCTURES; MOLECULAR-SIEVES C1 Pacific NW Natl Lab, Dept Mat, Richland, WA 99354 USA. RP Shin, YS (reprint author), Pacific NW Natl Lab, Dept Mat, 902 Battelle Blvd,POB 999,MS K2-44, Richland, WA 99354 USA. EM yongsoon.shin@pnl.gov NR 9 TC 1 Z9 1 U1 1 U2 3 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-6223 J9 CARBON JI Carbon PY 2005 VL 43 IS 5 BP 1096 EP 1098 DI 10.1016/j.carbon.2004.11.034 PG 3 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 908DM UT WOS:000227767500028 ER PT J AU Benson, SM AF Benson, Sally M. BE Thomas, DC Benson, SM TI CO2 STORAGE PREFACE SO CARBON DIOXIDE CAPTURE FOR STORAGE IN DEEP GEOLOGIC FORMATIONS - RESULTS FROM THE CO2 CAPTURE PROJECT, VOLS 1 AND 2: VOL 1 - CAPTURE AND SEPARATION OF CARBON DIOXIDE FROM COMBUSTION, VOL 2 - GEOLOGIC STORAGE OF CARBON DIOXIDE WITH MONITORING AND VERIFICATION LA English DT Editorial Material; Book Chapter C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Benson, SM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-045748-2 PY 2005 BP 663 EP 664 PG 2 WC Energy & Fuels; Geology SC Energy & Fuels; Geology GA BCW89 UT WOS:000311800500042 ER PT J AU Benson, SM AF Benson, Sally M. BE Thomas, DC Benson, SM TI OVERVIEW OF GEOLOGIC STORAGE OF CO2 SO CARBON DIOXIDE CAPTURE FOR STORAGE IN DEEP GEOLOGIC FORMATIONS - RESULTS FROM THE CO2 CAPTURE PROJECT, VOLS 1 AND 2: VOL 1 - CAPTURE AND SEPARATION OF CARBON DIOXIDE FROM COMBUSTION, VOL 2 - GEOLOGIC STORAGE OF CARBON DIOXIDE WITH MONITORING AND VERIFICATION LA English DT Article; Book Chapter ID NATURAL-GAS RESERVOIRS; CARBON-DIOXIDE; UNDERGROUND-STORAGE; AQUIFER DISPOSAL; CONTAINMENT; OIL AB This paper presents an overview of geologic storage of CO2. Topics addressed include the nature and extent of formations that could be used for geologic storage, the physical and chemical processes responsible for geologic storage, risks of geologic storage, and demonstration projects underway today. In addition, this chapter introduces the topics that are covered in this book. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Benson, SM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 35 TC 2 Z9 2 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-045748-2 PY 2005 BP 665 EP 672 PG 8 WC Energy & Fuels; Geology SC Energy & Fuels; Geology GA BCW89 UT WOS:000311800500043 ER PT B AU Oldenburg, CM AF Oldenburg, Curtis M. BE Thomas, DC Benson, SM TI STORAGE INTEGRITY PREFACE SO CARBON DIOXIDE CAPTURE FOR STORAGE IN DEEP GEOLOGIC FORMATIONS - RESULTS FROM THE CO2 CAPTURE PROJECT, VOLS 1 AND 2: VOL 1 - CAPTURE AND SEPARATION OF CARBON DIOXIDE FROM COMBUSTION, VOL 2 - GEOLOGIC STORAGE OF CARBON DIOXIDE WITH MONITORING AND VERIFICATION LA English DT Editorial Material; Book Chapter C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Oldenburg, CM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-045748-2 PY 2005 BP 685 EP 686 PG 2 WC Energy & Fuels; Geology SC Energy & Fuels; Geology GA BCW89 UT WOS:000311800500045 ER PT J AU Johnson, JW Nitao, JJ Morris, JP AF Johnson, James W. Nitao, John J. Morris, Joseph P. BE Thomas, DC Benson, SM TI REACTIVE TRANSPORT MODELING OF CAP-ROCK INTEGRITY DURING NATURAL AND ENGINEERED CO2 STORAGE SO CARBON DIOXIDE CAPTURE FOR STORAGE IN DEEP GEOLOGIC FORMATIONS - RESULTS FROM THE CO2 CAPTURE PROJECT, VOLS 1 AND 2: VOL 1 - CAPTURE AND SEPARATION OF CARBON DIOXIDE FROM COMBUSTION, VOL 2 - GEOLOGIC STORAGE OF CARBON DIOXIDE WITH MONITORING AND VERIFICATION LA English DT Article; Book Chapter ID PARTIAL MOLAL PROPERTIES; THERMODYNAMIC PROPERTIES; HYDROTHERMAL SYSTEMS; HIGH-PRESSURES; 1000-DEGREES-C; TEMPERATURES; STATE; FLOW AB Long-term cap rock integrity represents the single most important constraint on the long-term isolation performance of natural and engineered CO2 storage sites. CO2 influx that forms natural accumulations and CO2 injection for EOR/storage or saline-aquifer disposal both lead to geochemical alteration and geomechanical deformation of the cap rock, enhancing or degrading its se al integrity depending on the relative effectiveness of these interdependent processes. Using our reactive transport simulator (NUFT), supporting geochemical databases and software (GEMBOCHS, SUPCRT92), and distinct-element geomechanical model (LDEC), we have shown that influx-triggered mineral dissolution/precipitation reactions within typical shale cap rocks continuously reduce microfracture apertures, while pressure and effective-stress evolution first rapidly increase then slowly constrict them. For a given shale composition, the extent of geochemical integrity enhancement in the cap rock is nearly independent of key reservoir properties (permeability and lateral continuity) that distinguish EOR/sequestration and saline formation settings and of CO2 influx parameters (rate, focality, and duration) that distinguish engineered disposal sites and natural accumulations, because these characteristics and parameter have negligible (indirect) impact on mineral dissolution/precipitation rates. In contrast, the extent of geomechanical integrity degradation is highly dependent on these reservoir properties and influx parameters because they effectively dictate magnitude of the pressure perturbation. Specifically, initial geomechanical degradation has been shown inversely proportional to reservoir permeability and lateral continuity and proportional to influx rate. Hence, while the extent of geochemical alteration is nearly independent of filling mode, that of geomechanical deformation is significantly more pronounced during engineered storage. This suggests that the currently secure cap rock of a given natural CO2 accumulation may be incapable of providing an effective seal in the context of an engineered injection, a potential discrepancy that limits the extent to which natural CO2 reservoirs and engineered storage sites can be considered analogous. In addition, the pressure increase associated with CO2 accumulation in any compartmentalized system invariably results in net geomechanical aperture widening of cap-rock microfractures. This suggests that ultimate restoration of pre-influx hydrodynamic seal integrity-in both EOR/storage and natural accumulation settings-hinges on ultimate geochemical counterbalancing of this geomechanical effect. To explore this hypothesis, we have introduced a new conceptual framework that depicts such counterbalancing as a function of effective diffusion distance and reaction progress. This framework reveals that ultimate counterbalancing of geochemical and geomechanical effects is feasible, which suggests that shale cap rocks may in fact evolve into effective seals in both natural and engineered storage sites. C1 [Johnson, James W.; Nitao, John J.; Morris, Joseph P.] Lawrence Livermore Natl Lab, Div Environm Sci, Livermore, CA 94550 USA. RP Johnson, JW (reprint author), Lawrence Livermore Natl Lab, Div Environm Sci, Livermore, CA 94550 USA. NR 41 TC 22 Z9 23 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-045748-2 PY 2005 BP 787 EP 813 PG 27 WC Energy & Fuels; Geology SC Energy & Fuels; Geology GA BCW89 UT WOS:000311800500051 ER PT B AU Hoversten, M AF Hoversten, Mike BE Thomas, DC Benson, SM TI MONITORING AND VERIFICATION PREFACE SO CARBON DIOXIDE CAPTURE FOR STORAGE IN DEEP GEOLOGIC FORMATIONS - RESULTS FROM THE CO2 CAPTURE PROJECT, VOLS 1 AND 2: VOL 1 - CAPTURE AND SEPARATION OF CARBON DIOXIDE FROM COMBUSTION, VOL 2 - GEOLOGIC STORAGE OF CARBON DIOXIDE WITH MONITORING AND VERIFICATION LA English DT Editorial Material; Book Chapter C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Hoversten, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-045748-2 PY 2005 BP 999 EP 999 PG 1 WC Energy & Fuels; Geology SC Energy & Fuels; Geology GA BCW89 UT WOS:000311800500063 ER PT J AU Pickles, WL Cover, WA AF Pickles, William L. Cover, Wendy A. BE Thomas, DC Benson, SM TI HYPERSPECTRAL GEOBOTANICAL REMOTE SENSING FOR CO2 STORAGE MONITORING SO CARBON DIOXIDE CAPTURE FOR STORAGE IN DEEP GEOLOGIC FORMATIONS - RESULTS FROM THE CO2 CAPTURE PROJECT, VOLS 1 AND 2: VOL 1 - CAPTURE AND SEPARATION OF CARBON DIOXIDE FROM COMBUSTION, VOL 2 - GEOLOGIC STORAGE OF CARBON DIOXIDE WITH MONITORING AND VERIFICATION LA English DT Article; Book Chapter ID MAMMOTH MOUNTAIN; CALIFORNIA AB This project has developed an airborne remote sensing method for detection and mapping of CO2 that might be leaking up from an underground storage formation. The method uses high-resolution hyperspectral imagery to detect and map the effects of elevated CO2 soil concentrations on the roots of the local plants. The method also detects subtle or hidden faulting systems which localize the CO2 pathways to the surface. Elevated CO2 soil concentrations deprive the plant root systems of oxygen which is essential for a healthy plant. Excessive soil CO2 concentrations are observed to significantly affect local plant health, and hence plant species distributions. These effects were studied in a previous remote sensing research program at Mammoth Mountain, CA, USA. This earlier research showed that subtle hidden faults can be mapped using the spectral signatures of altered minerals and of plant species and health distributions. Mapping hidden faults is important because these highly localized pathways are the conduits for potentially significant CO2 leaks from deep underground formations. The detection and discrimination methods we are developing use advanced airborne reflected light hyperspectral imagery. The spatial resolutions are 1-3 m and 128 band to 225 wavelength resolution in the visible and near infrared. We are also using the newly available "Quickbird" satellite imagery that has spatial resolutions of 0.6 m for panchromatic images and 2.4 m for multispectral. These are two commercial providers of the hyperspectral imagery acquisitions, so that eventually the ongoing surveillance of CO2 storage fields can be contracted for commercially. In this project we had a commercial provider acquire airborne hyperspectral visible and near infrared reflected light imagery of the Rangely, CO enhanced oil recovery field and the surrounding areas in August 2002. The images were analyzed using several of the methods available in the suite of tools in the "ENVI" commercial hyperspectral image processing software to create highly detailed maps of soil types, plant coverages, plant health, local ecologies or habitats, water conditions, and man-made objects throughout the entire Rangely oil field and surrounding areas. The results were verified during a field trip to Rangely, CO in August 2003. These maps establish an environmental and ecological baseline against which any future CO2 leakage effects on the plants, plant habitats, soils and water conditions can be detected and verified. We have also seen signatures that may be subtle hidden faults. If confirmed these faults might provide pathways for upward CO2 migration if that occurred at any time during the future. C1 [Pickles, William L.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Cover, Wendy A.] Univ Calif Santa Cruz, Santa Cruz, CA 95064 USA. RP Pickles, WL (reprint author), Lawrence Livermore Natl Lab, Livermore, CA USA. NR 7 TC 4 Z9 5 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-045748-2 PY 2005 BP 1045 EP 1070 PG 26 WC Energy & Fuels; Geology SC Energy & Fuels; Geology GA BCW89 UT WOS:000311800500067 ER PT J AU Hoversten, GM Gasperikova, E AF Hoversten, G. M. Gasperikova, Erika BE Thomas, DC Benson, SM TI NON-SEISMIC GEOPHYSICAL APPROACHES TO MONITORING SO CARBON DIOXIDE CAPTURE FOR STORAGE IN DEEP GEOLOGIC FORMATIONS - RESULTS FROM THE CO2 CAPTURE PROJECT, VOLS 1 AND 2: VOL 1 - CAPTURE AND SEPARATION OF CARBON DIOXIDE FROM COMBUSTION, VOL 2 - GEOLOGIC STORAGE OF CARBON DIOXIDE WITH MONITORING AND VERIFICATION LA English DT Article; Book Chapter ID RESERVOIR; PRESSURE; RADAR; EARTH AB This chapter considers the application of a number of different geophysical techniques for monitoring geologic storage of CO2. The relative merits of the seismic, gravity, electromagnetic (EM) and streaming potential (SP) geophysical techniques as monitoring tools are examined. An example of tilt measurements illustrates another potential monitoring technique, although it has not been studied to the extent of other techniques in this chapter. This work does not represent an exhaustive study, but rather demonstrates the capabilities of a number of geophysical techniques on two synthetic modeling scenarios. The first scenario represents combined CO2 enhance oil recovery (EOR) and storage in a producing oil field, the Schrader Bluff field on the north slope of Alaska, USA. The second scenario is of a pilot DOE CO2 storage experiment scheduled for summer 2004 in the Frio Brine Formation in South Texas, USA. Numerical flow simulations of the CO2 injection process for each case were converted to geophysical models using petrophysical models developed from well log data. These coupled flow simulation-geophysical models allow comparison of the performance of monitoring techniques over time on realistic 3D models by generating simulated responses at different times during the CO2 injection process. These time-lapse measurements are used to produce time-lapse changes in geophysical measurements that can be related to the movement of CO2 within the injection interval. The time-lapse performance of seismic, gravity, and EM techniques are considered for the Schrader Bluff model. Surface gravity, surface tilt and SP measurements are considered for the Frio brine formation model. These two models represent end members of a complex spectrum of possible storage scenarios. EOR/storage projects in general and Schrader Bluff in particular represent relatively thin injection intervals with multiple fluid components (oil, hydrocarbon gas, brine, and CO2) while brine formations such as the Frio will usually have much thicker injection intervals and only two component (brine and CO2) systems. C1 [Hoversten, G. M.; Gasperikova, Erika] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Hoversten, GM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 34 TC 5 Z9 5 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-045748-2 PY 2005 BP 1071 EP 1112 PG 42 WC Energy & Fuels; Geology SC Energy & Fuels; Geology GA BCW89 UT WOS:000311800500068 ER PT J AU Nimz, GJ Hudson, GB AF Nimz, Gregory J. Hudson, G. Bryant BE Thomas, DC Benson, SM TI THE USE OF NOBLE GAS ISOTOPES FOR MONITORING LEAKAGE OF GEOLOGICALLY STORED CO2 SO CARBON DIOXIDE CAPTURE FOR STORAGE IN DEEP GEOLOGIC FORMATIONS - RESULTS FROM THE CO2 CAPTURE PROJECT, VOLS 1 AND 2: VOL 1 - CAPTURE AND SEPARATION OF CARBON DIOXIDE FROM COMBUSTION, VOL 2 - GEOLOGIC STORAGE OF CARBON DIOXIDE WITH MONITORING AND VERIFICATION LA English DT Article; Book Chapter ID PARIS BASIN; TRACERS; WATERS; ORIGIN; FLUIDS; TEXAS; FLOW; SF6 AB One of the primary concerns in CO2 storage is monitoring the storage site on a long-term basis for possible leakage of CO2. Concentrations of CO2 vary widely in the Earth's crust, making detection of very small releases difficult. Small amounts of noble gas isotopes can be dissolved into the CO2 being injected for storage and used as tracers to monitor CO2 movement. Noble gases are chemically inert, environmentally safe, and are persistent and stable in the environment. The unique isotopic compositions that can be imparted to the CO2 can be unambiguously identified during monitoring. Among the noble gases, xenon isotopes have commercial costs and availability suitable for use in large CO2 storage operations. Required xenon volumes are low, simplifying handling and injection. Multiple batches of injected CO2 at the same site could be imparted with different xenon isotopic compositions, making each of them identifiable with only a single xenon analysis. These characteristics are believed to make xenon a superior tracer to other option, SF6 and (CO2)-C-14. A case study in noble gas tracing at the Mabee Enhanced Oil Recovery field in West Texas indicates that unique noble gas isotopic compositions within a CO2 injection stream can be detected and readily identified in outlying wells, and that noble gas behavior in a CO2 storage setting will be systematic and predictable. C1 [Nimz, Gregory J.; Hudson, G. Bryant] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Nimz, GJ (reprint author), Lawrence Livermore Natl Lab, Livermore, CA USA. NR 24 TC 10 Z9 10 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-045748-2 PY 2005 BP 1113 EP 1128 PG 16 WC Energy & Fuels; Geology SC Energy & Fuels; Geology GA BCW89 UT WOS:000311800500069 ER PT B AU Benson, SM AF Benson, Sally M. BE Thomas, DC Benson, SM TI RISK ASSESSMENT PREFACE SO CARBON DIOXIDE CAPTURE FOR STORAGE IN DEEP GEOLOGIC FORMATIONS - RESULTS FROM THE CO2 CAPTURE PROJECT, VOLS 1 AND 2: VOL 1 - CAPTURE AND SEPARATION OF CARBON DIOXIDE FROM COMBUSTION, VOL 2 - GEOLOGIC STORAGE OF CARBON DIOXIDE WITH MONITORING AND VERIFICATION LA English DT Editorial Material; Book Chapter C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Benson, SM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-045748-2 PY 2005 BP 1131 EP 1131 PG 1 WC Energy & Fuels; Geology SC Energy & Fuels; Geology GA BCW89 UT WOS:000311800500070 ER PT J AU Benson, SM AF Benson, Sally M. BE Thomas, DC Benson, SM TI LESSONS LEARNED FROM INDUSTRIAL AND NATURAL ANALOGS FOR HEALTH, SAFETY AND ENVIRONMENTAL RISK ASSESSMENT FOR GEOLOGIC STORAGE OF CARBON DIOXIDE SO CARBON DIOXIDE CAPTURE FOR STORAGE IN DEEP GEOLOGIC FORMATIONS - RESULTS FROM THE CO2 CAPTURE PROJECT, VOLS 1 AND 2: VOL 1 - CAPTURE AND SEPARATION OF CARBON DIOXIDE FROM COMBUSTION, VOL 2 - GEOLOGIC STORAGE OF CARBON DIOXIDE WITH MONITORING AND VERIFICATION LA English DT Article; Book Chapter AB This literature survey was conducted to gather and interpret information regarding potential approaches for assessing, managing and mitigating risks associated with the deep geologic storage of CO2. Information was gathered from three principle sources: (1) industrial analogs such as natural gas storage, deep injection of hazardous wastes and nuclear waste storage and (2) natural analogs, especially those with CO2 leaks at the surface and (3) industrial uses of CO2 for a variety of applications. A set of lessons learned from these analogs was compiled and forms the basis for recommendations in the areas of risk assessment framework and methodology, risk management approaches and risk mitigation and remediation methods. Lessons learned include: 1. There is an abundant base of experience to draw on that is relevant and suggests that CO2 can be stored safely if geologic storage sites are carefully selected and monitored. 2. The human health effects of exposure to elevated concentrations of CO2 have been extensively studied and occupational safety regulations are in place for safe use. Ecosystem impacts from elevated soil gas concentrations are less well characterized and may require additional research. 3. The hazard created by CO2 releases depends more on the nature of the release rather than the size of the release. In particular, since CO2 is denser than air, hazardous situations arise when large amounts of CO2 accumulate in low-lying, confined or poorly ventilated spaces. Releases, even large ones, do not pose a hazard if they are quickly dissipated in the atmosphere, such as from tall industrial stacks or explosive volcanic events. 4. Many of the risks of CO2 storage are well understood based on experience from natural gas storage and deep injection of hazardous waste. Experience from these analogs suggest that the biggest risks from CO2 storage will be due to: leakage through poor quality or aging injection well completions; leakage up abandoned wells; leakage due to inadequate cap rock characterization; and inconsistent or inadequate monitoring of injection wells, groundwater in overlying formations and leakage from abandoned wells. 5. Regulatory paradigms and approaches for the industrial analogs vary and none address all the issues that are important for CO2 storage. This chapter reviews the lessons learned and also provides recommendations for additional research to address gaps in knowledge and risk management approaches. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Benson, SM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 11 TC 1 Z9 3 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-045748-2 PY 2005 BP 1133 EP 1141 PG 9 WC Energy & Fuels; Geology SC Energy & Fuels; Geology GA BCW89 UT WOS:000311800500071 ER PT J AU Apps, JA AF Apps, John A. BE Thomas, DC Benson, SM TI THE REGULATORY CLIMATE GOVERNING THE DISPOSAL OF LIQUID WASTES IN DEEP GEOLOGIC FORMATIONS: A PARADIGM FOR REGULATIONS FOR THE SUBSURFACE STORAGE OF CO2? SO CARBON DIOXIDE CAPTURE FOR STORAGE IN DEEP GEOLOGIC FORMATIONS - RESULTS FROM THE CO2 CAPTURE PROJECT, VOLS 1 AND 2: VOL 1 - CAPTURE AND SEPARATION OF CARBON DIOXIDE FROM COMBUSTION, VOL 2 - GEOLOGIC STORAGE OF CARBON DIOXIDE WITH MONITORING AND VERIFICATION LA English DT Article; Book Chapter AB Federal and state regulations covering the deep injection disposal of liquid waste have evolved over the last 30 years in response to legislation designed to protect underground sources of drinking water (USDW). These regulations apply to so-called Class I wells, and address issues relating to the confinement of hazardous and nonhazardous wastes below the lowermost USDW. They have been made progressively more stringent with time, and are now quite effective in protecting USDWs. The deep injection disposal of compressed carbon dioxide (CO2) into similar environments will undoubtedly require similar regulation. Accordingly, the history relating to the development of legislation to protect groundwater supplies, and resulting regulations is reviewed and conclusions drawn regarding the extent to which these regulations might eventually be applied to CO2 injection. C1 Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA USA. RP Apps, JA (reprint author), Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA USA. NR 27 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-045748-2 PY 2005 BP 1173 EP 1188 PG 16 WC Energy & Fuels; Geology SC Energy & Fuels; Geology GA BCW89 UT WOS:000311800500073 ER PT J AU Benson, S Hepple, R AF Benson, Sally Hepple, Robert BE Thomas, DC Benson, SM TI PROSPECTS FOR EARLY DETECTION AND OPTIONS FOR REMEDIATION OF LEAKAGE FROM CO2 STORAGE PROJECTS SO CARBON DIOXIDE CAPTURE FOR STORAGE IN DEEP GEOLOGIC FORMATIONS - RESULTS FROM THE CO2 CAPTURE PROJECT, VOLS 1 AND 2: VOL 1 - CAPTURE AND SEPARATION OF CARBON DIOXIDE FROM COMBUSTION, VOL 2 - GEOLOGIC STORAGE OF CARBON DIOXIDE WITH MONITORING AND VERIFICATION LA English DT Article; Book Chapter AB Geologic storage projects of CO2 should be designed to maintain secure storage thousands of years or longer. However, in some cases, leakage may occur and remediation measures, either to stop the leak or to prevent human or ecosystem impacts will be needed. Moreover, the availability of remediation options will reassure the public that geologic storage can be safe and effective and help build confidence in carbon capture and storage. This study reviews the remediation options available for many of the types of leakage that may occur based on analogous situations in natural gas storage, oil and gas production, groundwater remediation, and soil gas and vadose zone cleanup. Remediation options are discussed for damaged injection wells, leaking abandoned wells, over pressured reservoirs, carbon dioxide accumulations in shallow groundwater, secondary contamination of groundwater by acidification, vadose zone and soil gas accumulations, and surface releases. Examples of remediation options for buildings and surface water are also discussed. This study demonstrates that remediation options are available for many of the leakage scenarios that can be envisioned. C1 [Benson, Sally] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Hepple, Robert] Univ Calif Davis, Davis, CA 95616 USA. RP Benson, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 28 TC 23 Z9 24 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-045748-2 PY 2005 BP 1189 EP 1203 PG 15 WC Energy & Fuels; Geology SC Energy & Fuels; Geology GA BCW89 UT WOS:000311800500074 ER PT J AU Oldenburg, CM Unger, AAJ AF Oldenburg, Curtis M. Unger, Andre A. J. BE Thomas, DC Benson, SM TI MODELING OF NEAR-SURFACE LEAKAGE AND SEEPAGE OF CO2 FOR RISK CHARACTERIZATION SO CARBON DIOXIDE CAPTURE FOR STORAGE IN DEEP GEOLOGIC FORMATIONS - RESULTS FROM THE CO2 CAPTURE PROJECT, VOLS 1 AND 2: VOL 1 - CAPTURE AND SEPARATION OF CARBON DIOXIDE FROM COMBUSTION, VOL 2 - GEOLOGIC STORAGE OF CARBON DIOXIDE WITH MONITORING AND VERIFICATION LA English DT Article; Book Chapter ID CARBON SEQUESTRATION SITES; FOREST; ZONE AB The injection of carbon dioxide (CO2) into deep geologic CO2 storage sites entails risk that CO2 will leak away from the primary storage formation and migrate upwards to the unsaturated zone from which it can seep out of the ground. We have developed a coupled modeling framework called T2CA for simulating CO2 leakage and seepage in the subsurface and in the atmospheric surface layer. The results of model simulations can be used to calculate the two key health, safety, and environmental (HSE) risk drivers, namely CO2 seepage flux and near-surface CO2 concentrations. Sensitivity studies for a subsurface system with a thick unsaturated zone show limited leakage attenuation resulting in correspondingly large CO2 concentrations in the shallow subsurface. Large CO2 concentrations in the shallow subsurface present a risk to plant and tree roots, and to humans and other animals in subsurface structures such as basements or utility vaults. Whereas CO2 concentrations in the subsurface can be high, surface-layer winds reduce CO2 concentrations to low levels for the fluxes investigated. We recommend more verification and case studies be carried out with T2CA, along with the development of extensions to handle additional scenarios such as calm conditions, topographic effects, and catastrophic surface-layer discharge events. C1 [Oldenburg, Curtis M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Unger, Andre A. J.] Univ Waterloo, Waterloo, ON N2L 3G1, Canada. RP Oldenburg, CM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 10 TC 0 Z9 0 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-045748-2 PY 2005 BP 1205 EP 1216 PG 12 WC Energy & Fuels; Geology SC Energy & Fuels; Geology GA BCW89 UT WOS:000311800500075 ER PT J AU Wo, SC Liang, JT Myer, LR AF Wo, Shaochang Liang, Jenn-Tai Myer, Larry R. BE Thomas, DC Benson, SM TI CO2 STORAGE IN COALBEDS: RISK ASSESSMENT OF CO2 AND METHANE LEAKAGE SO CARBON DIOXIDE CAPTURE FOR STORAGE IN DEEP GEOLOGIC FORMATIONS - RESULTS FROM THE CO2 CAPTURE PROJECT, VOLS 1 AND 2: VOL 1 - CAPTURE AND SEPARATION OF CARBON DIOXIDE FROM COMBUSTION, VOL 2 - GEOLOGIC STORAGE OF CARBON DIOXIDE WITH MONITORING AND VERIFICATION LA English DT Article; Book Chapter ID ROCK AB The practice of testing seal integrity is not routinely employed in coalbed methane projects. With injection of CO2, changes in stress caused by potential high injection pressure and rate may open previously closed fractures and faults, thus generating new leakage pathways. The research presented in this chapter focuses on assessing potential leakage pathways and developing a probabilistic risk assessment methodology. A study was performed to evaluate geomechanical factors that need to be taken into account in assessing the risk of CO2 leakage in CO2 storage in coalbeds. The study revealed that geomechanical processes lead to risks of developing leakage paths for CO2 at each step in the process of CO2 storage in coalbeds. Risk of leakage is higher for old wells that are converted to injectors. Risks of leakage are much higher for open cavity completions than for cased well completions. The processes of depressurization during dewatering and methane production, followed by repressurization during CO2 injection, lead to risks of leakage path formation by failure of the coal and slip on discontinuities in the coal and overburden. The most likely mechanism for leakage path formation is slip on pre-existing discontinuities that cut across the coal seam. A mathematical model for probabilistic risk assessment was developed. The model consists of six functional constituents: initiators, processes, failure modes, consequences (effects), indicators, and inference queries. Potential leakage pathways are usually coupled with identified failure modes. In assessing the risk of CO2 storage in geological formations, inference rules can generally be categorized into seven different types. The inference logic of this model is based on set theory, which is superior to the traditional decision-tree based inference logic in terms of flexibility, generality, capability in dealing with uncertainties and handling large, complex problems, such as cascading phenomena. The model was designed to be implemented on a relational database. C1 [Wo, Shaochang] Univ Wyoming, Inst Enhanced Oil Recovery & Energy Res, Laramie, WY 82071 USA. [Liang, Jenn-Tai] Univ Kansas, Lawrence, KS 66045 USA. [Myer, Larry R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Wo, SC (reprint author), Univ Wyoming, Inst Enhanced Oil Recovery & Energy Res, 1000 E Univ Ave,Dept 4068, Laramie, WY 82071 USA. NR 44 TC 3 Z9 5 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-045748-2 PY 2005 BP 1263 EP 1291 PG 29 WC Energy & Fuels; Geology SC Energy & Fuels; Geology GA BCW89 UT WOS:000311800500078 ER PT J AU Opresko, DM Sanchez, JA AF Opresko, DM Sanchez, JA TI Caribbean shallow-water black corals (Cnidaria : Anthozoa : Antipatharia) SO CARIBBEAN JOURNAL OF SCIENCE LA English DT Article DE black corals; Antipatharia; coral reef; Tanacetipathes; Antipathes; Stichopathes; Rhipidipathes; Plumapathes ID DECAPODA; PALAEMONIDAE; PACIFIC; ISLANDS; GROWTH; FJORDS; MIAMI; REEF; SEA AB Our aim is to provide a complete key and guide to the species of black corals from the Caribbean reefs at depths shallower than about 100 m. The key to the species is mostly based on colonial features that are recognized in the field, although some closely related species can only be differentiated by microscopic skeletal features. Each species is illustrated with one or more photos showing the size and shape of the colony; many photos were taken in the natural environment to facilitate underwater identification. Additionally, a short description is provided of each species and their microscopic diagnostic characters are illustrated with the aid of the Scanning Electron Microscope (SEM). Fifteen black coral species are found in relatively shallow-water in the Caribbean, Gulf of Mexico, and other parts of the tropical western Atlantic; these belong to the families Myriopathidae [Tanacetipathes hirta (Gray) T. tanacetum (Pourtales), T. barbadensis (Brook), T. thamnea (Warner), and Phauapathes pennacea (Pallas)]; Antipathidae [Antipathes lenta Pourtales, A. rubusiformis Warner and Opresko, A. furcata Gray, A. umbratica Opresko, A. atlantica Gray, A. gracilis Gray, A. caribbeana Opresko, Stichopathes lutkeni Brook, and S. occidentalis (Gray)]; and Aphanipathidae [Rhipidipathes colombiana (Opresko and Sanchez)]. We hope that this guide will facilitate research on black corals on Caribbean reefs, Where population surveys are urgently needed to evaluate or modify conservation policies. C1 Oak Ridge Natl Lab, Div Life Sci, Oak Ridge, TN 37830 USA. Univ Los Andes, Dept Ciencias Biol, Bogota, Colombia. RP Opresko, DM (reprint author), Oak Ridge Natl Lab, Div Life Sci, 1060 Commerce Pk 107, Oak Ridge, TN 37830 USA. EM opreskodm@ornl.gov; juansanc@uniandes.edn.co NR 40 TC 14 Z9 16 U1 1 U2 7 PU UNIV PUERTO RICO, PI MAYAGUEZ PA COLLEGE ARTS SCIENCES, MAYAGUEZ, PR 00680 USA SN 0008-6452 J9 CARIBB J SCI JI Caribb. J. Sci. PY 2005 VL 41 IS 3 BP 492 EP 507 PG 16 WC Biodiversity Conservation SC Biodiversity & Conservation GA 000KD UT WOS:000234459600010 ER PT B AU Frye, JG Zacher, AH Werpy, TA Wang, Y AF Frye, JG Zacher, AH Werpy, TA Wang, Y BE Sowa, JR TI Catalytic preparation of pyrrolidones from renewable resources SO Catalysis of Organic Reactions SE CHEMICAL INDUSTRIES : A SERIES OF REFERENCE BOOKS AND TEXTBOOKS LA English DT Proceedings Paper CT 20th Conference on Catalysis of Organic Reactions CY MAR 21-25, 2004 CL Hilton Head Isl, SC SP Organ React Catalysis Soc, WR GraceDavison, Parr Instrument, N Amer Catalysis Soc, ACS PRF, Engelhard, Degussa, AMC PMC, Merck & Co, Eli Lilly & Co, CRI Catalysts, Catalyst Grp, Umicore, Sud Chemie, Nova Mol Technologies Inc, Rohm & Haas AB Use of renewable resources for production of valuable chemical commodities is becoming a topic of great national interest and importance. This objective fits well with the U.S. DOE's objective of promoting the industrial bio-refinery concept in which a wide array of valuable chemical, fuel, food, nutraceuticals, and animal feed products all result from the integrated processing of grains, oil seeds, and other bio-mass materials. The bio-refinery thus serves to enhance the overall utility and profitability of the agriculture industry as well as helping to reduce the USA's dependence on petroleum. Pyrrolidones fit well into the bio-refinery concept since they may be produced in a scheme beginning with the fermentation of a portion of the biorefinery's sugar product into succinate. Pyrrolidones are a class of industrially important chemicals with a variety of uses including polymer intermediates, cleaners, and "green solvents" which can replace hazardous chlorinated compounds. Battelle has developed an efficient process for the thermo-catalytic conversion of succinate into pyrrolidones, especially N-methyl-2-pyrrolidone. The process uses both novel Rh based catalysts and novel aqueous process conditions and results in high selectivities and yields of pyrrolidone compounds. The process also includes novel methodology for enhancing yields by recycling and converting non-useful side products of the catalysis into additional pyrrolidone. The process has been demonstrated in both batch and continuous reactors. Additionally, stability of the unique Rh-based catalyst has been demonstrated. C1 Pacific NW Natl Lab, Lab Phys Sci, Richland, WA 99352 USA. RP Frye, JG (reprint author), Pacific NW Natl Lab, Lab Phys Sci, Richland, WA 99352 USA. RI Wang, Yong/C-2344-2013 NR 4 TC 4 Z9 4 U1 1 U2 4 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 0-8247-2729-0 J9 CHEM INDUST PY 2005 VL 104 BP 145 EP 154 PG 10 WC Chemistry, Organic; Chemistry, Physical SC Chemistry GA BCH39 UT WOS:000229314000017 ER PT B AU Holladay, JE Werpy, TA AF Holladay, JE Werpy, TA BE Sowa, JR TI Hydrogenation of glutamic acid to value added products SO Catalysis of Organic Reactions SE CHEMICAL INDUSTRIES : A SERIES OF REFERENCE BOOKS AND TEXTBOOKS LA English DT Proceedings Paper CT 20th Conference on Catalysis of Organic Reactions CY MAR 21-25, 2004 CL Hilton Head Isl, SC SP Organ React Catalysis Soc, WR GraceDavison, Parr Instrument, N Amer Catalysis Soc, ACS PRF, Engelhard, Degussa, AMC PMC, Merck & Co, Eli Lilly & Co, CRI Catalysts, Catalyst Grp, Umicore, Sud Chemie, Nova Mol Technologies Inc, Rohm & Haas ID CATALYTIC-HYDROGENATION; CARBOXYLIC-ACIDS; ACETIC-ACID; ALCOHOLS; NICKEL; ESTERS; COPPER AB Glutamic acid (Glu) provides a platform to numerous compounds through thermochemical approaches such as hydrogenation, cyclization, decarboxylation and deamination. In this paper preliminary results of the hydrogenation of Glu are discussed with an emphasis on controlling the selectivity of carbonyl reduction. Under thermal conditions Glu cyclizes to give 5-oxopyrrolidine-2-carboxylic acid (Pyroglu). At low temperatures (70 degrees C) Glu can be hydrogenated to give 2-aminopentane-1,5-diol (glutaminol) (1). At elevated temperatures (150 degrees C) and in the absence of added acid 5-hydroxymethyl-2pyrrolidinone (5HMP) is the main product. While at low pH, normally used for hydrogenation of amino acids, the pyrrolidinone carbonyl is also reduced resulting in pyrrolidin-2-ylmethanol (prolinol). A mechanism for the various products is suggested. The results show that hydrogenation of Glu has characteristics unique from those of other amino acids, and that paradigms in the literature do not apply for Glu. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Holladay, JE (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. NR 24 TC 2 Z9 2 U1 0 U2 6 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 0-8247-2729-0 J9 CHEM INDUST PY 2005 VL 104 BP 155 EP 164 PG 10 WC Chemistry, Organic; Chemistry, Physical SC Chemistry GA BCH39 UT WOS:000229314000018 ER PT B AU Zacher, AH Frye, JG Werpy, TA Miller, DJ AF Zacher, AH Frye, JG Werpy, TA Miller, DJ BE Sowa, JR TI Catalytic hydrogenolysis of 5-carbon sugar alcohols SO Catalysis of Organic Reactions SE CHEMICAL INDUSTRIES : A SERIES OF REFERENCE BOOKS AND TEXTBOOKS LA English DT Proceedings Paper CT 20th Conference on Catalysis of Organic Reactions CY MAR 21-25, 2004 CL Hilton Head Isl, SC SP Organ React Catalysis Soc, WR GraceDavison, Parr Instrument, N Amer Catalysis Soc, ACS PRF, Engelhard, Degussa, AMC PMC, Merck & Co, Eli Lilly & Co, CRI Catalysts, Catalyst Grp, Umicore, Sud Chemie, Nova Mol Technologies Inc, Rohm & Haas AB PNNL, in cooperation with the USDOE and CRADA partners, National Corn Growers Association and Archer Daniels Midland, has evaluated a new class of catalysts based on nickel and rhenium with effective performance for highly selective, high conversion hydrogenolysis of five-carbon sugar alcohols to industrially useful glycols. The Ni/Re catalyst appears to exhibit preferential reductive cleavage of the carbon-carbon bonds of secondary carbons over primary carbons of the 5-carbon sugar alcohols tested. In addition, the catalyst has demonstrated the ability to produce glycerol and 1,2-propylene glycol in a controllable ratio. The rhenium containing catalysts are found to have higher activity and better selectivity to desired glycols than previously reported catalysts. A continuous flow reactor lifetime test of over 1500 hours also demonstrated the requisite high stability for an industrially attractive process. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Zacher, AH (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. NR 8 TC 2 Z9 2 U1 1 U2 4 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 0-8247-2729-0 J9 CHEM INDUST PY 2005 VL 104 BP 165 EP 173 PG 9 WC Chemistry, Organic; Chemistry, Physical SC Chemistry GA BCH39 UT WOS:000229314000019 ER PT B AU Disselkamp, RS Peden, CHF AF Disselkamp, RS Peden, CHF BE Sowa, JR TI The effect of ultrasound on the isomerization versus reduction reaction pathways in the hydrogenation of 3-buten-2-ol and 1,4-pentadien-3-ol on Pd-black SO Catalysis of Organic Reactions SE CHEMICAL INDUSTRIES : A SERIES OF REFERENCE BOOKS AND TEXTBOOKS LA English DT Proceedings Paper CT 20th Conference on Catalysis of Organic Reactions CY MAR 21-25, 2004 CL Hilton Head Isl, SC SP Organ React Catalysis Soc, WR GraceDavison, Parr Instrument, N Amer Catalysis Soc, ACS PRF, Engelhard, Degussa, AMC PMC, Merck & Co, Eli Lilly & Co, CRI Catalysts, Catalyst Grp, Umicore, Sud Chemie, Nova Mol Technologies Inc, Rohm & Haas AB Ultrasound at 20 kHz was applied to the isothermal (298 +/- 2 K) heterogeneous catalytic hydrogenation of the aqueous phase P-unsaturated alcohols 3-buten-2-ol and 1,4-pentadien-3-ol and compared to a conventional experiment in which magnetic stirring replaced the sonic probe in facilitating the room temperature reaction. Hydrogenation employed hydrogen gas at 6.8 atm and a catalyst (Pd-black) pre-reduced by ultrasound. This study was undertaken to examine the effect of ultrasound on the competing reaction processes of isomerization to the enol that then undergoes tautomerization to the corresponding ketone, versus hydrogenation to the saturated alcohols (2-butanol and 3-pentanol). Sampling of the reacting solutions at pre-determined time intervals followed by ex-post-facto GC/MS analyses yielded time-dependent concentration information. The concentrations of all products and reagent were graphed with respect to time of reaction, enabling mechanistic information to be obtained from the experimental data. For 3-buten-2-ol, the final ratios of 2-butanone to 2-butanol were 0.67 (ultrasound) and 1.67 (stirred). Also for this system, a kinetic modeling of the stirred system revealed that the 3-buten-2-ol reagent was depleted by two primary reaction pathways: 1. isomerization to 2-butanone, and 2. reaction with 2-butanone to yield 3-buten-2-one plus 2-butanol. For the 1,4-pentadien-3-ol system, the 3-pentanone to 3-pentanol ratios were 0.33 (ultrasound) and 0.43 (stirred). Although the olefins studied here are relatively simple, an analysis of the kinetic data indicates that the actual reaction processes can be complex. C1 Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Disselkamp, RS (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. NR 10 TC 1 Z9 1 U1 0 U2 2 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 0-8247-2729-0 J9 CHEM INDUST PY 2005 VL 104 BP 303 EP 311 PG 9 WC Chemistry, Organic; Chemistry, Physical SC Chemistry GA BCH39 UT WOS:000229314000034 ER PT J AU Klett, J AF Klett, James BE Scheffler, M Colombo, P TI Carbon Foams SO CELLULAR CERAMICS: STRUCTURE, MANUFACTURING, PROPERTIES AND APPLICATIONS LA English DT Article; Book Chapter ID INTERNATIONAL-COMMITTEE; TENTATIVE DEFINITIONS; 1ST PUBLICATION; THERMAL-CONDUCTIVITY; TERMINOLOGY; FIBERS C1 Oak Ridge Natl Lab, Oak Ridge, TN 37931 USA. RP Klett, J (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37931 USA. RI Klett, James/E-6860-2017 OI Klett, James/0000-0002-2553-9649 NR 61 TC 7 Z9 7 U1 0 U2 0 PU BLACKWELL SCIENCE PUBL PI OXFORD PA OSNEY MEAD, OXFORD OX2 0EL, ENGLAND BN 978-3-52760-669-6 PY 2005 BP 137 EP 157 DI 10.1002/3527606696.ch2f D2 10.1002/3527606696 PG 21 WC Materials Science, Ceramics SC Materials Science GA BYF38 UT WOS:000298399900010 ER PT J AU Juenger, MCG Monteiro, PJM Gartner, EM Denbeaux, GP AF Juenger, MCG Monteiro, PJM Gartner, EM Denbeaux, GP TI Soft X-ray microscope investigation into the effects of calcium chloride on tricalcium silicate hydration SO CEMENT AND CONCRETE RESEARCH LA English DT Article DE acceleration; hydration; microstructure; admixture; Ca3SiO5 ID CEMENT HYDRATION; PASTE; SALTS AB Calcium chloride (CaCl2) is one of the most recognized and effective accelerators of hydration, setting, and early strength development in portland cement and tricalcium silicate (C3S) pastes. The mechanisms responsible for this acceleration, as well as the microstructural consequences, are poorly understood. Soft X-ray transmission microscopy has recently been applied to the study of cementitious materials and allows the observation of hydration in situ over time. This technique was applied to the examination of tricalcium silicates hydrating in a solution containing CaCl2. It appears that CaCl2 accelerates the formation of "inner product" calcium silicate hydrate (C-S-H) with a low-density microstructure. (C) 2004 Elsevier Ltd. All rights reserved. C1 Univ Texas, Dept Civil Engn, Austin, TX 78712 USA. Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. Lafarge Lab Cent Rech, F-38291 St Quentin Fallavier, France. Lawrence Berkeley Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. RP Juenger, MCG (reprint author), Univ Texas, Dept Civil Engn, Austin, TX 78712 USA. EM mjuenger@mail.utexas.edu RI Chen, Wei/A-5694-2010; Gartner, Ellis/P-9420-2015 OI Gartner, Ellis/0000-0002-4009-8466 NR 26 TC 41 Z9 44 U1 1 U2 11 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-8846 J9 CEMENT CONCRETE RES JI Cem. Concr. Res. PD JAN PY 2005 VL 35 IS 1 BP 19 EP 25 DI 10.1016/j.cemconres.2004.05.016 PG 7 WC Construction & Building Technology; Materials Science, Multidisciplinary SC Construction & Building Technology; Materials Science GA 898ZI UT WOS:000227114300003 ER PT J AU Yangi, X Beckwith, AW AF Yangi, X Beckwith, AW TI Photon-induced switching and tunneling phenomena in a YBCO thin film junction SO CENTRAL EUROPEAN JOURNAL OF PHYSICS LA English DT Article DE persistent photoconductivity (PPC) phenomenon; YBa2Cu3O6.5 thin film junction; illumination; incandescent light; quenching of the photo-induced state ID PERSISTENT PHOTOCONDUCTIVITY; PHOTOINDUCED SUPERCONDUCTIVITY; YBA2CU3O6+X; TEMPERATURE; DEPENDENCE; TRANSPORT AB In the persistent photoconductivity (PPC) phenomenon, illumination of a YBa2Cu3O6.5 thin film junction with a 1mW He-Ne laser leads to the decrease of the critical voltage (similar to the threshold voltage). The decrease of the critical voltage was reversed by illumination with incandescent light. The critical voltage across the junction was experimentally decreased and increased by alternating illumination between He-Ne laser and incandescent light. We also observed visible quenching of the photo-induced state using a 5mW He-Ne laser. Finally, the threshold behavior of the junction was destroyed by illuminating it with incandescent light. (C) Central European Science Journals. All rights reserved. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Houston, Dept Phys, Houston, TX 77204 USA. RP Beckwith, AW (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM projectbeckwith2@yahoo.com NR 18 TC 3 Z9 3 U1 0 U2 0 PU CENTRAL EUROPEAN SCIENCE JOURNALS PI WARSAW PA 8, MARIENSZTAT ST, 00-302 WARSAW, POLAND SN 1644-3608 J9 CENT EUR J PHYS JI Cent. Eur. J. Phys. PD JAN PY 2005 VL 3 IS 1 BP 24 EP 34 DI 10.2478/BF02476503 PG 11 WC Physics, Multidisciplinary SC Physics GA 899UV UT WOS:000227171900004 ER PT S AU Hu, MZ AF Hu, MZ BE Lu, S Hu, MZ Gogotsi, Y TI Synthesis of nanostructured oxide films via chemical solution deposition, molecular design, and self-assembly SO CERAMIC NANOMATERIALS AND NANOTECHNOLOGY III SE CERAMIC TRANSACTIONS LA English DT Proceedings Paper CT 106th Annual Meeting of the American-Ceramic-Society CY APR 18-21, 2004 CL Indianapolis, IN SP Amer Ceram Soc ID ADVANCED INORGANIC MATERIALS; CERAMIC THIN-FILMS; AQUEOUS-SOLUTIONS; ZEOLITE MEMBRANES; LOW-TEMPERATURES; MONOLAYERS; CRYSTALLIZATION; GROWTH; COMPOSITES; INTERFACES AB An overview on chemical solution deposition of oxide films is presented in regarding to nano structure-engineering approaches and their promise in producing nanocrystalline, nanoporous, and mesoporous films or membranes. Results of our deposited films are provided to illustrate the principle that both molecular engineering (via molecular design and self-assembly) and process engineering at either low-temperature synthesis or high-temperature processing conditions are critical to control the final nanostructure in films (e.g., nanoscale grain or pore size/orientation). Fundamental issues in two general categories of film synthesis, in-situ growth and precursor coating methods, have been discussed. Nanostructure control in films can be achieved by tuning chemical solution chemistry, by controlling nucleation and growth, and by taking advantage of molecular self-assembly on substrate surface or during drying of solutions containing molecular templates. It is shown that in-situ growth in low-temperature solutions could produce desirable nanocrystalline phases in films. Meanwhile, thermal processing as a necessary step for the coating approach could also significantly affect the final nanostructure of films. C1 Oak Ridge Natl Lab, Separat & Mat Res Grp, Oak Ridge, TN 37931 USA. RP Hu, MZ (reprint author), Oak Ridge Natl Lab, Separat & Mat Res Grp, Bldg 4500N,MS-6181, Oak Ridge, TN 37931 USA. OI Hu, Michael/0000-0001-8461-9684 NR 34 TC 0 Z9 0 U1 0 U2 1 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 1042-1122 BN 1-57498-180-3 J9 CERAM TRANS PY 2005 VL 159 BP 77 EP 91 PG 15 WC Nanoscience & Nanotechnology; Materials Science, Ceramics SC Science & Technology - Other Topics; Materials Science GA BBP66 UT WOS:000226902400009 ER PT J AU Khangar, AA Kenik, EA Dahotre, NB AF Khangar, AA Kenik, EA Dahotre, NB TI Microstructure and microtexture in laser-dressed alumina grinding wheel material SO CERAMICS INTERNATIONAL LA English DT Article DE alumina; pyrometric temperature measurement; orientation imaging microscopy; solidification ID SURFACE-TREATMENT; OXIDE; MODEL AB Alumina grinding wheels when laser dressed with a high-power laser induce change in the morphology of the wheel surface. The altered grain structure on the surface of the wheel gives laser dressing advantage over conventional mechanical methods. Morphological modification during laser dressing is strongly influenced by the microstructure formed during the rapid solidification process. Microstructure depends mainly on the cooling rates amongst many other factors related to the laser processing conditions. Using a two-color based pyrometer temperature measurement setup the cooling rates were estimated during the laser dressing process. Orientation imaging microscopy (OIM) was used to determine the grain orientations in the resolidified layer on the dressed surface. Cooling rates and the OIM combined, indicate a preferred orientation of grains along the (110) planes. This preferred orientation can be a reason for the formation of grains with multi-faceted surfaces having cutting edges and vertices, for grinding operation. OIM and cooling results also show existence of a competitive growth mechanism for the grains in the dressed layer. (c) 2004 Elsevier Ltd and Techna Group S.r.l. All rights reserved. C1 Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Met & Ceram, Microscopy Microanal Microstruct Grp, Oak Ridge, TN USA. Oak Ridge Natl Lab, Div Met & Ceram, Mat Proc Grp, Oak Ridge, TN USA. RP Dahotre, NB (reprint author), Univ Tennessee, Dept Mat Sci & Engn, 326 Dougherty Hall,1512 Middle Dr, Knoxville, TN 37996 USA. EM ndahotre@utk.edu NR 27 TC 26 Z9 27 U1 0 U2 17 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0272-8842 EI 1873-3956 J9 CERAM INT JI Ceram. Int. PY 2005 VL 31 IS 4 BP 621 EP 629 DI 10.1016/j.ceramint.2004.08.013 PG 9 WC Materials Science, Ceramics SC Materials Science GA 921NP UT WOS:000228771600018 ER PT S AU Gremillard, L Saiz, E Tomsia, AP AF Gremillard, L Saiz, E Tomsia, AP BE Ewsuk, K Nogi, K Reiterer, M Tomsia, A Glass, SJ Waesche, R Uematsu, K Naito, M TI Wetting in the tin-silver-titanium/sapphire system SO CHARACTERIZATION AND CONTROL OF INTERFACES FOR HIGH QUALITY ADVANCED MATERIALS SE Ceramic Transactions LA English DT Proceedings Paper CT International Conference on the Characterization and Control of Interfaces for High Quality Advanced Materials (ICCCI 2003) CY 2003 CL Kurashiki, JAPAN ID ADSORPTION; ALUMINUM; SOLDERS; ALLOYS; POINT; AG AB The wetting of tin-silver-based alloys on Al2O3 has been studied using the sessile-drop configuration. Small additions of Ti decrease the contact angle of Sn-3 wt% Ag alloys on alumina from 150 degrees to 25 degrees; however, a wide variability ill contact angle and spreading rate is observed. The variability is related to the kinetics of Ti dissolution in the alloy, and the formation of triple-line ridges. Enhanced spreading is not accompanied by the formation of a continuous reaction layer at the metal/ceramic interface. Furthermore, no reaction product is detected after tests performed at temperatures below 800 degrees C. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Sci Mat, Berkeley, CA 94720 USA. RP Univ Calif Berkeley, Lawrence Berkeley Lab, Div Sci Mat, Berkeley, CA 94720 USA. NR 14 TC 0 Z9 0 U1 1 U2 2 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 1042-1122 BN 1-57498-170-6 J9 CERAM TRANS PY 2005 VL 146 BP 121 EP 128 PG 8 WC Materials Science, Multidisciplinary; Materials Science, Characterization & Testing SC Materials Science GA BBS04 UT WOS:000227497000015 ER PT S AU van Benthem, K Rashkeev, SN Pennycook, SJ AF van Benthem, K Rashkeev, SN Pennycook, SJ BE Seiler, DG Diebold, AC McDonald, R Ayre, CR Khosla, RP Secula, EM TI Atomic and electronic structure investigations of HfO2/SiO2/Si gate stacks using aberration-corrected STEM SO CHARACTERIZATION AND METROLOGY FOR ULSI TECHNOLOGY 2005 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 5th Conference on Characterization and Metrology for ULSI Technology CY MAR 15-18, 2005 CL Richardson, TX SP Natl Inst Stand & Technol, SEMATECH, Amer Phys Soc, Natl Sci Fdn, Semiconductor Res Corp, Semiconductor Equipment & Mat Int, Univ Texas Dallas, Semiconductor Int DE STEM; interfaces; single atom; dielectric properties; aberration correction AB Aberration correction in scanning transmission electron microscopy represents a major breakthrough in transmission electron microscopy, enabling the formation of sub-Angstrom probe sizes. Thus, electron microscopy achieved single atom sensitivity. Here, we show how this technique with its unique spatial resolution in combination with high-resolution electron energy-loss spectroscopy can be used to investigate atomic and electronic structures of semiconductor interfaces with single atom sensitivity. We employ a Si/HfO2/SiO2/Si high-k dielectric interface to show the presence of single Hf atoms in the SiO2 interlayer. Furthermore, we demonstrate how local dielectric properties and local band structure information can be obtained by electron energy-loss spectroscopy. C1 Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. RP Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. NR 16 TC 1 Z9 1 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 0-7354-0277-9 J9 AIP CONF PROC PY 2005 VL 788 BP 79 EP 84 PG 6 WC Instruments & Instrumentation; Materials Science, Characterization & Testing; Physics, Condensed Matter SC Instruments & Instrumentation; Materials Science; Physics GA BDH77 UT WOS:000233588000010 ER PT S AU DiAntonio, CB Ewsuk, KG AF DiAntonio, CB Ewsuk, KG BE DiAntonio, CB TI Controlled and predicted ceramic sintering through master sintering curve theory SO CHARACTERIZATION AND MODELING TO CONTROL SINTERED CERAMIC MICROSTRUCTURES AND PROPERTIES SE CERAMIC TRANSACTIONS LA English DT Proceedings Paper CT 106th Annual Meeting of the American-Ceramic-Society CY APR 18-21, 2004 CL Indianapolis, IN SP Amer Ceram Soc ID DIFFUSION; BOUNDARY; ALUMINA; SOLIDS; MODEL AB Understanding, controlling, and predicting ceramic material sintering behavior is crucial to reproducible manufacturing of high performance specialty ceramic components. The microstructure and properties of a finished ceramic component are highly dependent on the firing process (i.e., sintering and densification). Master sintering curve theory provides a means, for the construction of an empirically derived single sintering curve for a ceramic powder system from measured densification data. The measured densification behavior, of a particular ceramic component, is collected over a range of heating rates or sintering temperatures and when combined with the calculated effective densification activation energy for the system all of the data converge onto a single sintering curve. Originally developed for materials that exhibit isotropic sintering behavior and that density by solid state sintering (Al2O3 ZrO2), MSC theory has recently been extended to construct master sintering curves for an anistropically densifying low temperature co-fire ceramic (LTCC) system and a nanocrystalline ZnO powder. This work will provide some of the fundamental results Front the implementation of master sintering curve theory to ail anisotropically densifying system and nanocrystalline powder. C1 Sandia Natl Labs, Ceram & Glass Proc Dept, Albuquerque, NM 87185 USA. RP DiAntonio, CB (reprint author), Sandia Natl Labs, Ceram & Glass Proc Dept, POB 5800,14192,MS0959, Albuquerque, NM 87185 USA. NR 13 TC 6 Z9 8 U1 1 U2 7 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 1042-1122 BN 1-57498-178-1 J9 CERAM TRANS PY 2005 VL 157 BP 15 EP 23 PG 9 WC Materials Science, Ceramics; Materials Science, Characterization & Testing SC Materials Science GA BBP62 UT WOS:000226900000002 ER PT S AU Garino, TJ AF Garino, TJ BE DiAntonio, CB TI Sintering damage during multi-materlal sintering SO CHARACTERIZATION AND MODELING TO CONTROL SINTERED CERAMIC MICROSTRUCTURES AND PROPERTIES SE CERAMIC TRANSACTIONS LA English DT Proceedings Paper CT 106th Annual Meeting of the American-Ceramic-Society CY APR 18-21, 2004 CL Indianapolis, IN SP Amer Ceram Soc AB To generate data for comparison with the predictions of continuum sintering models for multi-material systems, several types of concentric cylinder samples were sintered to produce damage during sintering. The samples consisted of an outer ring of pressed ceramic powder (alumina or zinc oxide), the center of which was either fully or partially filled with a cylinder that consisted of either the same powder pressed to a higher green density (fully filled) or of previously densified 99% alumina (fully or partially filled).In addition, slots of various lengths were cut in some of the rings, front the Outer surface parallel to the cylinder axis, which were then fully filled with dense alumina center cylinders and sintered. The types of sintering damage produced as the shrinkage of the rings was constrained by the center cylinders which shrank less or not at all, included shape deformation, cracking and possible density gradient formation. Comparisons of shrinkage measurements oil rings fully filled with dense alumina center cylinders indicated that while the presence of the center cylinder increased the thickness and width shrinkage for both materials, the overall densification of the rings was impeded due to the decrease in circumferential shrinkage. This effect was more severe for the zinc oxide rings. The shape of the cross sections of the rings that were sintered either fully or partially filled with dense alumina center cylinders also showed differences depending on their composition. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Garino, TJ (reprint author), Sandia Natl Labs, POB 5800,MS-1411, Albuquerque, NM 87185 USA. NR 2 TC 0 Z9 0 U1 0 U2 0 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 1042-1122 BN 1-57498-178-1 J9 CERAM TRANS PY 2005 VL 157 BP 25 EP 32 PG 8 WC Materials Science, Ceramics; Materials Science, Characterization & Testing SC Materials Science GA BBP62 UT WOS:000226900000003 ER PT S AU Reiterer, M Kraft, T Riedel, H AF Reiterer, M Kraft, T Riedel, H BE DiAntonio, CB TI Application of a microstructure-based model for sintering and creep SO CHARACTERIZATION AND MODELING TO CONTROL SINTERED CERAMIC MICROSTRUCTURES AND PROPERTIES SE CERAMIC TRANSACTIONS LA English DT Proceedings Paper CT 106th Annual Meeting of the American-Ceramic-Society CY APR 18-21, 2004 CL Indianapolis, IN SP Amer Ceram Soc ID CONTROLLED DIFFUSIONAL CREEP; EQUILIBRIUM PORE SURFACES; REACTION-BONDED ALUMINA; FINE-GRAINED ALUMINA; NUMERICAL-SIMULATION; POWDER COMPACTS; CONSTITUTIVE-EQUATIONS; INTERFACE REACTION; DEFORMATION; CERAMICS AB A unified model for ceramic sintering and creep is presented. The model is based on the physical processes that are common to sintering and creep, i.e. grain boundary diffusion. grain boundary sliding, and grain coarsening. Additionally, the model incorporates interface reaction controlled diffusion, which is important for small grain sizes, and which leads to a nonlinear stress-strain rate relation. The model was applied to predict the sinter forming of reaction-bonded alumina. Some of the parameters required for the model were determined from sinter forging experiments, and these same experiments were used to test and validate the model predictions. Additionally, creep tests were conducted at three different temperatures, and the experimental results were compared with numerical predictions. Model predictions show good agreement with experimental sintering and creep results. C1 Sandia Natl Labs, Ceram Mat Dept, Adv Mat Lab, Albuquerque, NM 87106 USA. RP Reiterer, M (reprint author), Sandia Natl Labs, Ceram Mat Dept, Adv Mat Lab, Suite 100,1001 Univ Blvd SE,MS 1349,1843, Albuquerque, NM 87106 USA. NR 26 TC 0 Z9 0 U1 0 U2 1 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 1042-1122 BN 1-57498-178-1 J9 CERAM TRANS PY 2005 VL 157 BP 49 EP 58 PG 10 WC Materials Science, Ceramics; Materials Science, Characterization & Testing SC Materials Science GA BBP62 UT WOS:000226900000006 ER PT J AU Nauser, T Jacoby, M Koppenol, WH Squier, TC Schoneich, C AF Nauser, T Jacoby, M Koppenol, WH Squier, TC Schoneich, C TI Calmodulin methionine residues are targets for one-electron oxidation by hydroxyl radicals: formation of S therefore N three-electron bonded radical complexes SO CHEMICAL COMMUNICATIONS LA English DT Article ID BETA-AMYLOID OXIDATION; ALZHEIMERS-DISEASE; CATIONS; SULFUR; NEUROTOXICITY; MECHANISMS; REDUCTION; PEPTIDES; RELEVANT; SULFIDES AB The one-electron oxidation of calmodulin, studied on the microsecond timescale by pulse radiolysis, leads to methionine sulfide radical cations, which complex to adjacent amide groups to form three-electron bonded intermediates. C1 Swiss Fed Inst Technol, Inorgan Chem Lab, CH-8093 Zurich, Switzerland. Pacific NW Natl Lab, Richland, WA USA. Univ Kansas, Dept Pharmaceut Chem, Lawrence, KS 66045 USA. RP Nauser, T (reprint author), Swiss Fed Inst Technol, Inorgan Chem Lab, CH-8093 Zurich, Switzerland. EM schoneic@ku.edu RI Koppenol, Willem/H-2991-2013 OI Koppenol, Willem/0000-0002-1620-6594 FU NIA NIH HHS [2P01AG12993] NR 25 TC 16 Z9 16 U1 1 U2 5 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2005 IS 5 BP 587 EP 589 DI 10.1039/b414687e PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 890OU UT WOS:000226521500005 PM 15672144 ER PT J AU Letant, SE Kane, SR Hart, BR Hadi, MZ Cheng, TC Rastogi, VK Reynolds, JG AF Letant, SE Kane, SR Hart, BR Hadi, MZ Cheng, TC Rastogi, VK Reynolds, JG TI Hydrolysis of acetylcholinesterase inhibitors - organophosphorus acid anhydrolase enzyme immobilization on photoluminescent porous silicon platforms SO CHEMICAL COMMUNICATIONS LA English DT Article ID SURFACES AB We report on the immobilization of an OPAA enzyme on luminescent porous silicon devices, and on the utilization of this new platform to hydrolyze p-nitrophenyl-soman. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Sandia Natl Labs, Lockheed Martin Corp, Livermore, CA 94551 USA. USA, Edgewood Chem & Biol Ctr, Aberdeen Proving Ground, MD 21010 USA. RP Reynolds, JG (reprint author), Lawrence Livermore Natl Lab, 700 East Ave, Livermore, CA 94551 USA. EM reynolds3@llnl.gov NR 16 TC 22 Z9 22 U1 0 U2 4 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2005 IS 7 BP 851 EP 853 DI 10.1039/b412215a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 895FB UT WOS:000226845200005 PM 15700058 ER PT J AU Dattelbaum, AM Baker, SN Baker, GA AF Dattelbaum, AM Baker, SN Baker, GA TI N-Alkyl-N-methylpyrrolidinium salts as templates for hexagonally meso-ordered silicate thin films SO CHEMICAL COMMUNICATIONS LA English DT Article ID MESOPOROUS SILICA; IONIC LIQUIDS; MECHANISM AB A series of N-alkyl-N-methylpyrrolidinium bromide salts (C14, C16, or C18) have been explored as templates for the synthesis of ordered, mesoporous silica films; "soft'' annealing based on deep-UV calcination is also reported. C1 Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Baker, GA (reprint author), Los Alamos Natl Lab, Biosci Div, MS J586, Los Alamos, NM 87545 USA. EM gabaker@lanl.gov RI Baker, Gary/H-9444-2016 OI Baker, Gary/0000-0002-3052-7730 NR 22 TC 31 Z9 31 U1 1 U2 6 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2005 IS 7 BP 939 EP 941 DI 10.1039/b415135f PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 895FB UT WOS:000226845200035 PM 15700088 ER PT J AU Williams, DB Stoll, ME Scott, BL Costa, DA Oldham, WJ AF Williams, DB Stoll, ME Scott, BL Costa, DA Oldham, WJ TI Coordination chemistry of the bis(trifluoromethylsulfonyl)imide anion: molecular interactions in room temperature ionic liquids SO CHEMICAL COMMUNICATIONS LA English DT Article ID SOLVENTS; IMIDAZOLIUM; EXTRACTION; COMPLEXES; CATALYSTS; SALTS; POLAR AB Room temperature ionic liquids composed of bis( trifluoromethylsulfonyl) imide anions and 1,3-ethylmethylimidazolium (EMI) cations are shown to stabilize monomeric ligand deficient transition metal complexes via four distinct binding modes: monodentate nitrogen or oxygen coordination and/or bidentate oxygen - oxygen' or nitrogen - oxygen coordination (eta(1) - N, eta(1) - O, eta(2) - O, O' and eta(2) - N,O). C1 Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Nucl Mat Technol Div NMT15, Los Alamos, NM 87545 USA. RP Oldham, WJ (reprint author), Los Alamos Natl Lab, Div Chem, POB 1663, Los Alamos, NM 87545 USA. EM woldham@lanl.gov RI Scott, Brian/D-8995-2017 OI Scott, Brian/0000-0003-0468-5396 NR 18 TC 80 Z9 80 U1 1 U2 20 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2005 IS 11 BP 1438 EP 1440 DI 10.1039/b416830e PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 905KE UT WOS:000227566200020 PM 15756329 ER PT J AU Gerung, H Bunge, SD Boyle, TJ Brinker, CJ Han, SM AF Gerung, H Bunge, SD Boyle, TJ Brinker, CJ Han, SM TI Anhydrous solution synthesis of germanium nanocrystals from the germanium(II) precursor Ge[N(SiMe3)(2)](2) SO CHEMICAL COMMUNICATIONS LA English DT Article ID QUANTUM DOTS; SEMICONDUCTOR NANOCRYSTALS; VISIBLE PHOTOLUMINESCENCE; CRYSTALLINE SILICON; GE NANOPARTICLES; GROWTH; SURFACES; SIO2; GAP; INP AB A convenient, simple, single-source solution synthesis of Ge nanocrystals via thermal reduction of Ge(II) precursor Ge[N(SiMe3)(2)](2) in a non-coordinating solvent at 300 degrees C and 1 atm Ar is described. C1 Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. RP Boyle, TJ (reprint author), Sandia Natl Labs, Adv Mat Lab, 1001 Univ Blvd SE, Albuquerque, NM 87106 USA. EM meister@unm.edu; tjboyle@sandia.gov NR 33 TC 70 Z9 70 U1 1 U2 25 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2005 IS 14 BP 1914 EP 1916 DI 10.1039/b416066e PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 911IU UT WOS:000227996600034 PM 15795786 ER PT J AU Lin, YH Cui, XL AF Lin, YH Cui, XL TI Novel hybrid materials with high stability for electrically switched ion exchange: carbon nanotube-polyaniline-nickel hexacyanoferrate nanocomposites SO CHEMICAL COMMUNICATIONS LA English DT Article ID PRUSSIAN BLUE NANOCLUSTERS; COBALT HEXACYANOFERRATE; FILMS; CESIUM; ELECTRODE; WASTE; SEPARATIONS; EXTRACTION; BIOSENSOR; SORPTION AB A novel and stable carbon nanotube-polyaniline-nickel hexacyanoferrate nanocomposite film has been synthesized by the electrodeposition method, and the feasibility for removing radioactive caesium through an electrically switched ion exchange process using the nanocomposite film has been evaluated in a mixture containing NaNO3 and CsNO3. C1 Fudan Univ, Dept Mat Sci, Shanghai 200433, Peoples R China. RP Lin, YH (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA. EM yuehe.lin@pnl.gov RI Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 NR 21 TC 33 Z9 34 U1 2 U2 25 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2005 IS 17 BP 2226 EP 2228 DI 10.1039/b500417a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 920VO UT WOS:000228718800009 PM 15856104 ER PT J AU Pool, JA Scott, BL Kiplinger, JL AF Pool, JA Scott, BL Kiplinger, JL TI Carbon-nitrogen bond cleavage in pyridine ring systems mediated by organometallic thorium(IV) complexes SO CHEMICAL COMMUNICATIONS LA English DT Article ID C-H ACTIVATION; X-RAY STRUCTURE; HYDRODENITROGENATION CATALYSIS; N-OXIDE; ETA(2)(N,C)-PYRIDINE COMPLEX; STRUCTURAL CHARACTERIZATION; MOLECULAR-STRUCTURES; SIGMA-BOND; ARYL BONDS; REACTIVITY AB Thorium(IV) alkyl and aryl complexes of the type (C5Me5)(2)ThR2 (R = CH2Ph, Ph) have been found to mediate the facile ring-opening and dearomatization of the pyridine ring of pyridine N-oxide under ambient conditions to afford the first thorium eta(2)-(O, N)-oximate complexes. C1 Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Kiplinger, JL (reprint author), Los Alamos Natl Lab, Div Chem, POB 1663, Los Alamos, NM 87545 USA. EM kiplinger@lanl.gov RI Kiplinger, Jaqueline/B-9158-2011; Scott, Brian/D-8995-2017 OI Kiplinger, Jaqueline/0000-0003-0512-7062; Scott, Brian/0000-0003-0468-5396 NR 31 TC 42 Z9 43 U1 1 U2 12 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2005 IS 20 BP 2591 EP 2593 DI 10.1039/b502439k PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 926YR UT WOS:000229160100018 PM 15900337 ER PT J AU Miljanic, OS Han, SD Holmes, D Schaller, GR Vollhardt, KPC AF Miljanic, OS Han, SD Holmes, D Schaller, GR Vollhardt, KPC TI Hindered rotation in an "exploded'' biphenyl SO CHEMICAL COMMUNICATIONS LA English DT Article ID RESTRICTED ROTATION; MOLECULAR COMPASSES; PINWHEEL RECEPTORS; ACETYLENIC CARBON; GYROSCOPES; DESIGN; PLANARIZATION; <7>PHENYLENE; PHENYLENES; HELIPHENES AB The first cases of hindered rotation around the triple bond in simple diphenylacetylenes were observed, including that in chiral 2,2'-bis(trimethylsilyl)- 6,6'-bis(dimethylthexylsilyl)diphenylacetylene. C1 Univ Calif Berkeley, Dept Chem, Ctr New Direct Organ Synth, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Vollhardt, KPC (reprint author), Univ Calif Berkeley, Dept Chem, Ctr New Direct Organ Synth, Berkeley, CA 94720 USA. EM kpcv@berkeley.edu NR 41 TC 21 Z9 21 U1 0 U2 9 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2005 IS 20 BP 2606 EP 2608 DI 10.1039/b503173g PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 926YR UT WOS:000229160100023 PM 15900342 ER PT J AU Botar, B Kogerler, P Hill, CL AF Botar, B Kogerler, P Hill, CL TI [{(Mo)Mo5O21(H2O)(3)(SO4)}(12)(VO)(30)(H2O)(20)](36-): A molecular quantum spin icosidodecahedron SO CHEMICAL COMMUNICATIONS LA English DT Article ID MAGNETIC MOLECULES; CLUSTERS AB Self-assembly of aqueous solutions of molybdate and vanadate under reducing, mildly acidic conditions results in a polyoxomolybdate-based {Mo72V30} cluster compound Na8K16(VO)(H2O)(5)[K-10 subset of{(Mo)Mo5O21(H2O)(3)(SO4)}(12)(VO)(30)-(H2O)(20)]center dot 150H(2)O, 1, a quantum spin-based Keplerate structure.double dagger C1 Emory Univ, Dept Chem, Atlanta, GA 30322 USA. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Botar, B (reprint author), Emory Univ, Dept Chem, 1515 Pierce Dr, Atlanta, GA 30322 USA. EM bbotar@emory.edu; kogerler@ameslab.gov; chill@emory.edu RI Kogerler, Paul/H-5866-2013 OI Kogerler, Paul/0000-0001-7831-3953 NR 14 TC 56 Z9 56 U1 0 U2 17 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2005 IS 25 BP 3138 EP 3140 DI 10.1039/b504491j PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 937YI UT WOS:000229962400004 PM 15968350 ER PT J AU Gaunt, AJ Scott, BL Neu, MP AF Gaunt, AJ Scott, BL Neu, MP TI Homoleptic uranium(III) imidodiphosphinochalcogenides including the first structurally characterised molecular trivalent actinide-Se bond SO CHEMICAL COMMUNICATIONS LA English DT Article ID RAY CRYSTAL-STRUCTURE; NMR PROPERTIES; PR-I; COMPLEXES; LIGANDS; LANTHANIDE; CHEMISTRY; CATIONS; PH; REACTIVITY AB Preparation of U[N(EPPh2)(2)](3) (E = S or Se) by treating U[N(SiMe3)(2)](3) with three equivalents of NH( EPPh2)(2) is described together with presentation of a hitherto unreported molecular crystal structure containing An(III)-Se bonds (An = actinide). C1 Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Neu, MP (reprint author), Los Alamos Natl Lab, Div Chem, Mail Stop J-514, Los Alamos, NM 87545 USA. EM mneu@lanl.gov RI Scott, Brian/D-8995-2017 OI Scott, Brian/0000-0003-0468-5396 NR 40 TC 26 Z9 26 U1 0 U2 5 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2005 IS 25 BP 3215 EP 3217 DI 10.1039/b503106k PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 937YI UT WOS:000229962400030 PM 15968376 ER PT J AU Liu, GD Lin, YH Ostatna, V Wang, J AF Liu, GD Lin, YH Ostatna, V Wang, J TI Enzyme nanoparticles-based electronic biosensor SO CHEMICAL COMMUNICATIONS LA English DT Article ID HORSERADISH-PEROXIDASE; CARBON NANOTUBES; NANOWIRE ARRAYS; COLLOIDAL GOLD; ELECTRODEPOSITION; ELECTROCHEMISTRY; IMMOBILIZATION; NETWORK AB A simple and effective method to prepare an enzyme electronic biosensor by immobilizing enzyme nanoparticles directly onto the gold electrode surface is described; prepared horseradish peroxidase nanoparticles have been successfully used to develop reagentless electronic biosensors for H2O2 detection without promoters and mediators and offer great potential to develop enzyme-based electronic biosensors. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Comenius Univ, Dept Biophys & Chem Phys, Bratislava 84248, Slovakia. Arizona State Univ, Dept Chem & Mat Engn, Tempe, AZ 85287 USA. Arizona State Univ, Dept Chem, Tempe, AZ 85287 USA. RP Lin, YH (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM yuehe.lin@pnl.gov; joseph.wang@asu.edu RI Lin, Yuehe/D-9762-2011; Ostatna, Veronika/H-1939-2014; Wang, Joseph/C-6175-2011 OI Lin, Yuehe/0000-0003-3791-7587; FU NIEHS NIH HHS [R01 ES010976-01A2] NR 25 TC 41 Z9 43 U1 1 U2 10 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2005 IS 27 BP 3481 EP 3483 DI 10.1039/b504943a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 942MJ UT WOS:000230286200034 PM 15997304 ER PT J AU Brutchey, RL Drake, IJ Bell, AT Tilley, TD AF Brutchey, RL Drake, IJ Bell, AT Tilley, TD TI Liquid-phase oxidation of alkylaromatics by a H-atom transfer mechanism with a new heterogeneous CoSBA-15 catalyst SO CHEMICAL COMMUNICATIONS LA English DT Article ID COMPLEXES; HYDROCARBONS; KINETICS; COBALT AB A new pseudo-tetrahedral Co(II) complex has been grafted onto the surface of SBA-15 and successfully utilized for the catalytic oxidization of alkylaromatic substrates with tert-butyl hydroperoxide (TBHP) via an H-atom transfer mechanism. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. RP Tilley, TD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM tdtilley@berkeley.edu RI Brutchey, Richard/C-4506-2008; OI Bell, Alexis/0000-0002-5738-4645 NR 17 TC 46 Z9 47 U1 1 U2 15 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2005 IS 29 BP 3736 EP 3738 DI 10.1039/b506426k PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 946TV UT WOS:000230596700032 PM 16027928 ER PT J AU Minogue, EM Taylor, TP Burrell, AK Havrilla, GJ Warner, BP Janicke, MT AF Minogue, EM Taylor, TP Burrell, AK Havrilla, GJ Warner, BP Janicke, MT TI A high throughput screening method for the selection of zeolites for binding cations SO CHEMICAL COMMUNICATIONS LA English DT Article AB An effective high throughput screening technique is described for the rapid analysis of zeolites as binding agents for cationic sequestration. C1 Los Alamos Natl Lab, Div Chem, C SIC, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Nucl Nonproliferat Div, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Div Chem, C CSE, Los Alamos, NM 87545 USA. RP Minogue, EM (reprint author), Los Alamos Natl Lab, Div Chem, C SIC, MS J514, Los Alamos, NM 87545 USA. EM edel@lanl.gov NR 3 TC 1 Z9 1 U1 0 U2 1 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2005 IS 33 BP 4167 EP 4168 DI 10.1039/b506044c PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 955RW UT WOS:000231246300008 PM 16100591 ER PT J AU Zorbas, V Kanungo, M Bains, SA Mao, YB Hemraj-Benny, T Misewich, JA Wong, SS AF Zorbas, V Kanungo, M Bains, SA Mao, YB Hemraj-Benny, T Misewich, JA Wong, SS TI Current-less photoreactivity catalyzed by functionalized AFM tips SO CHEMICAL COMMUNICATIONS LA English DT Article ID SELF-ASSEMBLED MONOLAYERS; ATOMIC-FORCE MICROSCOPE; PHOTOCATALYTIC DECOMPOSITION; NANOMETER-SCALE; AZO DYES; SURFACE; TIO2; DEGRADATION; NANOSCALE; NANOSTRUCTURES AB A spatially confined photocatalytic oxidation of a thin film of synthetic textile azo dye ( Procion Red MX-5B) using TiO2-functionalized AFM probes is described. C1 Brookhaven Natl Lab, Dept Chem & Mat Sci, Upton, NY 11973 USA. SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. RP Wong, SS (reprint author), Brookhaven Natl Lab, Dept Chem & Mat Sci, Bldg 480, Upton, NY 11973 USA. EM sswong@notes.cc.sunysb.edu NR 21 TC 10 Z9 10 U1 0 U2 5 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2005 IS 36 BP 4598 EP 4600 DI 10.1039/b506110c PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 963MU UT WOS:000231809200030 PM 16158127 ER PT J AU Mynar, JL Choi, TL Yoshida, M Kim, V Hawker, CJ Frechet, JMJ AF Mynar, JL Choi, TL Yoshida, M Kim, V Hawker, CJ Frechet, JMJ TI Doubly-dendronized linear polymers SO CHEMICAL COMMUNICATIONS LA English DT Article ID DIVERGENT SYNTHESIS; CLICK CHEMISTRY; MACROMOLECULES; DENDRIMERS; POLYMERIZATION; COPOLYMERS; LEVEL AB Doubly-dendronized polymers were synthesized by grafting polybenzyl ether dendrons onto a poly(hydroxy) styrene polymer with polyaliphatic esters. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Nanotechnol Res Inst, AIST, Tsukuba, Ibaraki, Japan. Univ Calif Santa Barbara, Mat Res Lab, Santa Barbara, CA 93106 USA. RP Frechet, JMJ (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM frechet@berkeley.edu RI Hawker, Craig/G-4971-2011; OI Hawker, Craig/0000-0001-9951-851X; Frechet, Jean /0000-0001-6419-0163 NR 19 TC 80 Z9 80 U1 1 U2 20 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2005 IS 41 BP 5169 EP 5171 DI 10.1039/b509398h PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 974OL UT WOS:000232601200008 PM 16228024 ER PT J AU Botar, B Kogerler, P Muller, A Garcia-Serres, R Hill, CL AF Botar, B Kogerler, P Muller, A Garcia-Serres, R Hill, CL TI Ferrimagnetically ordered nanosized polyoxomolybdate-based cluster spheres SO CHEMICAL COMMUNICATIONS LA English DT Article ID HETEROPOLY BLUES; KEPLERATE; MOLYBDENUM; EXCHANGE; CENTERS; ANIONS AB The self-assembly of molybdate building units in the presence of FeII and VIV produces the first mixed-spin heterometal keplerate-type clusters displaying ferrimagnetic interactions. C1 Emory Univ, Dept Chem, Atlanta, GA 30322 USA. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Univ Bielefeld, Fac Chem, Lehrstuhl Anorgan Chem 1, D-33501 Bielefeld, Germany. Emory Univ, Dept Phys, Atlanta, GA 30322 USA. RP Botar, B (reprint author), Emory Univ, Dept Chem, Atlanta, GA 30322 USA. EM bbotar@emory.edu; kogerler@ameslab.gov; chill@emory.edu RI Garcia-Serres, Ricardo/E-4344-2012; Kogerler, Paul/H-5866-2013; OI Kogerler, Paul/0000-0001-7831-3953; Muller, Achim/0000-0003-0117-4021 NR 17 TC 25 Z9 25 U1 0 U2 4 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2005 IS 45 BP 5621 EP 5623 DI 10.1036/b512244a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 986OE UT WOS:000233458800004 PM 16292368 ER PT J AU Talanova, GG Roper, ED Buie, NM Gorbunova, MG Bartsch, RA Talanov, VS AF Talanova, GG Roper, ED Buie, NM Gorbunova, MG Bartsch, RA Talanov, VS TI Novel fluorogenic calix[4] arene-bis( crown-6-ether) for selective recognition of thallium(I) SO CHEMICAL COMMUNICATIONS LA English DT Article ID FLUORESCENT MOLECULAR SENSORS; BINDING-PROPERTIES; POTASSIUM-IONS; CESIUM; 1,3-ALTERNATE; COMPLEXES; SWITCHES; CATIONS; PROBE AB A new fluorogenic, dansyl group-containing derivative of 1,3-alternate calix[4]arene-bis(crown-6-ether) provides optical recognition of Tl+ with selectivity over many other metal cations, including Na+, K+, Ca2+, Ag+, Hg2+ and Pb2+, and embodies the first example of a calixarene-based fluorescent Tl+-chemosensor. C1 Howard Univ, Dept Chem, Washington, DC 20059 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. Texas Tech Univ, Dept Chem & Biochem, Lubbock, TX 79409 USA. NCI, Canc Res Ctr, NIH, Bethesda, MD 20892 USA. RP Talanova, GG (reprint author), Howard Univ, Dept Chem, 525 Coll St,NW, Washington, DC 20059 USA. EM gtalanova@howard.edu NR 19 TC 33 Z9 33 U1 0 U2 7 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2005 IS 45 BP 5673 EP 5675 DI 10.1039/b510348g PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 986OE UT WOS:000233458800022 PM 16292386 ER PT J AU Mao, YB Park, TJ Wong, SS AF Mao, YB Park, TJ Wong, SS TI Synthesis of classes of ternary metal oxide nanostructures SO CHEMICAL COMMUNICATIONS LA English DT Review ID BIFEO3 THIN-FILMS; LEAD-ZIRCONATE-TITANATE; GEL TEMPLATE SYNTHESIS; CATANIONIC REVERSE MICELLES; HYDROTHERMAL SYNTHESIS; BARIUM-TITANATE; ROOM-TEMPERATURE; INORGANIC NANOTUBES; TIO2 NANOTUBES; SHAPE CONTROL AB Nanoscale structures, such as nanoparticles, nanorods, nanowires, nanocubes, and nanotubes, have attracted extensive synthetic attention as a result of their novel size-dependent properties. Ideally, the net result of nanoscale synthesis is the production of structures that achieve monodispersity, stability, and crystallinity with a predictable morphology. Many of the synthetic methods used to attain these goals have been based on principles derived from semiconductor technology, solid state chemistry, and molecular inorganic cluster chemistry. We describe a number of advances that have been made in the reproducible synthesis of various ternary oxide nanomaterials, including alkaline earth metal titanates, alkali metal titanates, bismuth ferrites, ABO(4)-type oxides, as well as miscellaneous classes of ternary metal oxides. C1 SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. Brookhaven Natl Lab, Dept Chem & Mat Sci, Stony Brook, NY 11793 USA. RP Wong, SS (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM sswong@notes.cc.sunysb.edu RI Mao, Yuanbing/D-5580-2009 NR 181 TC 104 Z9 104 U1 9 U2 138 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2005 IS 46 BP 5721 EP 5735 DI 10.1039/b509960a PG 15 WC Chemistry, Multidisciplinary SC Chemistry GA 986OF UT WOS:000233458900001 PM 16307128 ER PT J AU Schwarz, DE Cameron, TM Hay, PJ Scott, BL Tumas, W Thorn, DL AF Schwarz, DE Cameron, TM Hay, PJ Scott, BL Tumas, W Thorn, DL TI Hydrogen evolution from organic "hydrides" SO CHEMICAL COMMUNICATIONS LA English DT Article ID RUTHENIUM TRIMETHYLPHOSPHINE COMPLEXES; CARBON-DIOXIDE; INTRAMOLECULAR PROTONOLYSES; PINCER COMPLEXES; FORMAL TRANSFERS; BONDS; DEHYDROGENATION; GENERATION; ACTIVATION; ALCOHOLS AB Benzimidazolines (dihydrobenzimidazoles) are shown for the first time to eliminate hydrogen (H-2) by catalyzed reaction with protic compounds. C1 Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Schwarz, DE (reprint author), Los Alamos Natl Lab, Div Chem, MS J514, Los Alamos, NM 87545 USA. EM dthorn@lanl.gov RI Scott, Brian/D-8995-2017 OI Scott, Brian/0000-0003-0468-5396 NR 40 TC 52 Z9 52 U1 2 U2 19 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2005 IS 47 BP 5919 EP 5921 DI 10.1039/b511884k PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 990XB UT WOS:000233775600024 PM 16317475 ER PT J AU Custelcean, R Moyer, BA Hay, BP AF Custelcean, R Moyer, BA Hay, BP TI A coordinatively saturated sulfate encapsulated in a metal-organic framework functionalized with urea hydrogen-bonding groups SO CHEMICAL COMMUNICATIONS LA English DT Article ID ANION RECEPTORS; BUILDING UNITS; NETWORK SOLIDS; BINDING; CHEMISTRY; POLYMERS; DESIGN; RECOGNITION; COMPLEXES; MOLECULES AB A functional coordination polymer decorated with urea hydrogen-bonding donor groups has been designed for optimal binding of sulfate; self-assembly of a tripodal tris-urea linker with Ag2SO4 resulted in the formation of a 1D metal - organic framework that encapsulates SO42- anions via twelve complementary hydrogen bonds, which represents the highest coordination number observed for sulfate in a natural or synthetic host. C1 Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. RP Custelcean, R (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM custelceanr@ornl.gov RI Solominow, Sonia/A-4021-2008; Custelcean, Radu/C-1037-2009; Moyer, Bruce/L-2744-2016 OI Custelcean, Radu/0000-0002-0727-7972; Moyer, Bruce/0000-0001-7484-6277 NR 46 TC 123 Z9 123 U1 2 U2 20 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2005 IS 48 BP 5971 EP 5973 DI 10.1039/b511809c PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 990XC UT WOS:000233775700004 PM 16333497 ER PT J AU Magyar, RJ Tretiak, S Gao, Y Wang, HL Shreve, AP AF Magyar, RJ Tretiak, S Gao, Y Wang, HL Shreve, AP TI A joint theoretical and experimental study of phenylene-acetylene molecular wires SO CHEMICAL PHYSICS LETTERS LA English DT Article ID DENSITY-FUNCTIONAL THEORY; AB-INITIO; PHENYLACETYLENE DENDRIMERS; ELECTRONIC EXCITATIONS; CONJUGATED OLIGOMERS; OPTICAL-EXCITATIONS; POLYMERS; ABSORPTION; SPECTRA; SYSTEMS AB The excited state electronic structure of pi conjugated phenylene-acetylene oligomers is calculated using time-dependent density functional theory approaches. The theoretical fluorescence spectra are analyzed in terms of Frank-Condon active nuclear normal modes and shown to compare well with experiment. Theoretical and experimental results for the optical absorption and emission spectra of these molecules indicate that the conjugation length can be significantly reduced by conformational rotations about the triple-bonded carbon links. This has serious implications on the electronic functionalities of polyphenylene-acetylene based molecular wires and their possible use as charge/energy conduits in nano-assemblies. (C) 2004 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Los Alamos Natl Lab, Div Theoret, Mail Stop B268, Los Alamos, NM 87545 USA. EM serg@cnls.lanl.gov RI Tretiak, Sergei/B-5556-2009 OI Tretiak, Sergei/0000-0001-5547-3647 NR 35 TC 44 Z9 46 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 EI 1873-4448 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD JAN 1 PY 2005 VL 401 IS 1-3 BP 149 EP 156 DI 10.1016/j.cplett.2004.10.155 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 885KY UT WOS:000226156700028 ER PT J AU Aida, M Dupuis, M AF Aida, M Dupuis, M TI Fundamental absorption frequency from quasi-classical direct ab initio molecular dynamics: diatomic molecule SO CHEMICAL PHYSICS LETTERS LA English DT Article ID COMBINATION; INTENSITIES AB A new approach is proposed to extract the fundamental absorption frequency from classical molecular dynamics simulation in which the oscillator amplitude is specified by setting the total energy equal to the harmonic zero-point energy. This approach is applied to D-2 molecule. The fundamental absorption frequency and the anharmonic constant of D-2, obtained from the quasi-classical direct ab initio molecular dynamics simulation method with the full Configuration Interaction level of theory with the aug-cc-pVTZ basis set, compare well with the experimentally observed values. (C) 2004 Elsevier B.V. All rights reserved. C1 Hiroshima Univ, Ctr Quantum Life Sci, Higashihiroshima 7398526, Japan. Hiroshima Univ, Grad Sch Sci, Dept Chem, Higashihiroshima 7398526, Japan. Pacific NW Natl Lab, Fundamental Sci Directorate, Div Chem Sci, Richland, WA 99352 USA. RP Aida, M (reprint author), Hiroshima Univ, Ctr Quantum Life Sci, 1-3-1 Kagamiyama, Higashihiroshima 7398526, Japan. EM maida@hiroshima-u.ac.jp RI Aida, Misako/D-1670-2010 OI Aida, Misako/0000-0001-8788-1071 NR 18 TC 7 Z9 7 U1 0 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD JAN 1 PY 2005 VL 401 IS 1-3 BP 170 EP 174 DI 10.1016/j.cplett.2004.11.046 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 885KY UT WOS:000226156700031 ER PT J AU Henderson, PT Neeley, WL Delaney, JC Gu, F Niles, JC Hah, SS Tannenbaum, SR Essigmann, JM AF Henderson, PT Neeley, WL Delaney, JC Gu, F Niles, JC Hah, SS Tannenbaum, SR Essigmann, JM TI Urea lesion formation in DNA as a consequence of 7,8-dihydro-8-oxoguanine oxidation and hydrolysis provides a potent source of point mutations SO CHEMICAL RESEARCH IN TOXICOLOGY LA English DT Article ID ONE-ELECTRON OXIDATION; ERRORS IN-VIVO; ESCHERICHIA-COLI; NITRIC-OXIDE; HYDROGEN-PEROXIDE; SEQUENCE CONTEXT; AQUEOUS-SOLUTION; MAJOR PRODUCT; A-RULE; PEROXYNITRITE AB The DNA oxidation product 7,8-dihydro-8-oxoguanine (8-oxoG) forms several mutagenic oxidation products, including a metastable oxaluric acid (Oa) derivative. We report here that a synthetic oligonucleotide containing Oa hydrolyzes under simulated "in vivo" conditions to form a mutagenic urea (Ua) lesion. Using the Oa 2'-deoxyribonucleoside as a model, the hydrolysis rate depended strongly upon the concentrations of bicarbonate and divalent magnesium. In buffered solutions containing physiologically relevant levels of these species, the half-life of Oa nucleoside was approximately 40 h at 37degreesC. The mutagenic properties of Ua in DNA were investigated using a M13mp7L2 bacteriophage genome containing Ua at a specific site. Transfection of the lesion-containing genome into wild-type AB1157 Escherichia coli allowed determination of the mutation frequency and DNA polymerase bypass efficiency from the resulting progeny phage. Ua was bypassed with an efficiency of 11% as compared to a guanine control and caused a 99% G-->T mutation frequency, assuming the lesion originated from G, which is at least an order of magnitude higher than the mutation frequency of 8-oxoG under the same conditions. SOS induction of bypass DNA polymerase(s) in the bacteria prior to transfection caused the mutation frequency and type to shift to 43% G-->T, 46% G-->C, and 10% G-->A mutations. We suggest that Ua is instructional, meaning that the shape of the lesion and its interactions with DNA polymerases influence which nucleotide is inserted opposite the lesion during replication and that the instructional nature of the lesion is modulated by the size of the binding pocket of the DNA polymerase. Replication past Ua, when formed by hydrolysis of the 8-oxoG oxidation product Oa, denotes a pathway that nearly quantitatively generates point mutations in vivo. C1 MIT, Dept Chem, Cambridge, MA 02139 USA. MIT, Div Biol Engn, Cambridge, MA 02139 USA. Lawrence Livermore Natl Lab, Biol & Biotechnol Res Program, Livermore, CA 94551 USA. RP Essigmann, JM (reprint author), MIT, Dept Chem, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM jessig@mit.edu RI Hah, Sang Soo/D-2621-2011 FU NCI NIH HHS [CA26731, CA86489]; NIEHS NIH HHS [ES07020] NR 53 TC 33 Z9 33 U1 0 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0893-228X J9 CHEM RES TOXICOL JI Chem. Res. Toxicol. PD JAN PY 2005 VL 18 IS 1 BP 12 EP 18 DI 10.1021/tx049757k PG 7 WC Chemistry, Medicinal; Chemistry, Multidisciplinary; Toxicology SC Pharmacology & Pharmacy; Chemistry; Toxicology GA 889GZ UT WOS:000226432800003 PM 15651843 ER PT J AU Garrett, BC Dixon, DA Camaioni, DM Chipman, DM Johnson, MA Jonah, CD Kimmel, GA Miller, JH Rescigno, TN Rossky, PJ Xantheas, SS Colson, SD Laufer, AH Ray, D Barbara, PF Bartels, DM Becker, KH Bowen, H Bradforth, SE Carmichael, I Coe, JV Corrales, LR Cowin, JP Dupuis, M Eisenthal, KB Franz, JA Gutowski, MS Jordan, KD Kay, BD LaVerne, JA Lymar, SV Madey, TE McCurdy, CW Meisel, D Mukamel, S Nilsson, AR Orlando, TM Petrik, NG Pimblott, SM Rustad, JR Schenter, GK Singer, SJ Tokmakoff, A Wang, LS Wittig, C Zwier, TS AF Garrett, BC Dixon, DA Camaioni, DM Chipman, DM Johnson, MA Jonah, CD Kimmel, GA Miller, JH Rescigno, TN Rossky, PJ Xantheas, SS Colson, SD Laufer, AH Ray, D Barbara, PF Bartels, DM Becker, KH Bowen, H Bradforth, SE Carmichael, I Coe, JV Corrales, LR Cowin, JP Dupuis, M Eisenthal, KB Franz, JA Gutowski, MS Jordan, KD Kay, BD LaVerne, JA Lymar, SV Madey, TE McCurdy, CW Meisel, D Mukamel, S Nilsson, AR Orlando, TM Petrik, NG Pimblott, SM Rustad, JR Schenter, GK Singer, SJ Tokmakoff, A Wang, LS Wittig, C Zwier, TS TI Role of water in electron-initiated processes and radical chemistry: Issues and scientific advances SO CHEMICAL REVIEWS LA English DT Review ID DENSITY-FUNCTIONAL THEORY; X-RAY-ABSORPTION; MOLECULAR-DYNAMICS SIMULATIONS; COUPLED-CLUSTER THEORY; HYDRATION FREE-ENERGY; TRANSFERABLE INTERACTION MODELS; EXCHANGE-CORRELATION POTENTIALS; ION PHOTOELECTRON-SPECTROSCOPY; DIFFUSION-CONTROLLED REACTIONS; PHOTON-STIMULATED DESORPTION C1 Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. Univ Alabama, Dept Chem, Tuscaloosa, AL 35487 USA. Univ Notre Dame, Notre Dame Radiat Lab, Notre Dame, IN 46556 USA. Yale Univ, Dept Chem, New Haven, CT 06520 USA. Argonne Natl Lab, Argonne, IL 60439 USA. Washington State Univ, Dept Comp Sci, Richland, WA 99352 USA. Washington State Univ, Dept Phys, Richland, WA 99352 USA. Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Texas, Dept Chem & Biochem, Austin, TX 78712 USA. US DOE, Off Basic Energy Sci, Washington, DC 20585 USA. Stevens Inst Technol, Dept Phys & Engn Phys, Hoboken, NJ 07030 USA. Johns Hopkins Univ, Dept Chem, Baltimore, MD 21218 USA. Univ So Calif, Dept Chem, Los Angeles, CA 90089 USA. Ohio State Univ, Dept Chem, Columbus, OH 43210 USA. Columbia Univ, Dept Chem, New York, NY 10027 USA. Univ Pittsburgh, Dept Chem, Pittsburgh, PA 15260 USA. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA. Stanford Linear Accelerator Ctr, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. Univ Calif Davis, Dept Geol, Davis, CA 95616 USA. MIT, Dept Chem, Cambridge, MA 02139 USA. Purdue Univ, Dept Chem, W Lafayette, IN 47907 USA. RP Garrett, BC (reprint author), Pacific NW Natl Lab, Div Chem Sci, POB 999, Richland, WA 99352 USA. EM bruce.garrett@pnl.gov; dadixon@bama.ua.edu RI Bradforth, Stephen/B-5186-2008; Nilsson, Anders/E-1943-2011; Garrett, Bruce/F-8516-2011; ID, BioCAT/D-2459-2012; Schenter, Gregory/I-7655-2014; Chipman, Daniel/C-7704-2015; Petrik, Nikolay/G-3267-2015; Singer, Sherwin/G-8424-2015; Xantheas, Sotiris/L-1239-2015 OI Xantheas, Sotiris/0000-0002-6303-1037; Bradforth, Stephen/0000-0002-6164-3347; Nilsson, Anders/0000-0003-1968-8696; Schenter, Gregory/0000-0001-5444-5484; Chipman, Daniel/0000-0002-9992-6684; Petrik, Nikolay/0000-0001-7129-0752; Singer, Sherwin/0000-0002-4539-5742; NR 399 TC 286 Z9 286 U1 17 U2 175 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0009-2665 EI 1520-6890 J9 CHEM REV JI Chem. Rev. PD JAN PY 2005 VL 105 IS 1 BP 355 EP 389 DI 10.1021/cr030453x PG 35 WC Chemistry, Multidisciplinary SC Chemistry GA 887HS UT WOS:000226297100009 PM 15720157 ER PT J AU Pratt, MR Bertozzi, CR AF Pratt, MR Bertozzi, CR TI Synthetic glycopeptides and glycoproteins as tools for biology SO CHEMICAL SOCIETY REVIEWS LA English DT Review ID ANALOGS PRODUCE ANALGESIA; N-LINKED OLIGOSACCHARIDES; OVINE SUBMAXILLARY MUCIN; P-SELECTIN; CHEMOENZYMATIC SYNTHESIS; ENKEPHALIN ANALOGS; CHEMICAL LIGATION; O-GLYCOSYLATION; DOMAIN; CONFORMATION AB Investigations into the roles of protein glycosylation have revealed functions such as modulating protein structure and localization, cell-cell recognition, and signaling in multicellular systems. However, detailed studies of these events are hampered by the heterogeneous nature of biosynthetic glycoproteins that typically exist in numerous glycoforms. Research into protein glycosylation, therefore, has benefited from homogeneous, structurally-defined glycoproteins obtained by chemical synthesis. This tutorial review focuses on recent applications of homogeneous synthetic glycopeptides and glycoproteins for studies of structure and function. In addition, the future of synthetic glycopeptides and glycoproteins as therapeutics is discussed. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Ctr Adv Mat, Berkeley, CA 94720 USA. RP Bertozzi, CR (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM bertozzi@cchem.berkeley.edu NR 63 TC 132 Z9 132 U1 0 U2 30 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0306-0012 J9 CHEM SOC REV JI Chem. Soc. Rev. PD JAN PY 2005 VL 34 IS 1 BP 58 EP 68 DI 10.1039/b400593g PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA 890PD UT WOS:000226522400020 PM 15643490 ER PT J AU Quong, JN Quong, AA Wu, KJ Kercher, JR AF Quong, JN Quong, AA Wu, KJ Kercher, JR TI A signature-based method to distinguish time-of-flight secondary-ion mass spectra from biological samples SO CHEMISTRY & BIODIVERSITY LA English DT Article; Proceedings Paper CT Symposium on Looking to the Future - Computational Methods in Drug Design CY APR 03-06, 2005 CL Casa Maderni, Virginia Tech Ctr European Studies & Architecture, San Vitale, SWITZERLAND SP Virginia Tech HO Casa Maderni, Virginia Tech Ctr European Studies & Architecture ID ADSORBED PROTEIN FILMS; PRINCIPAL COMPONENT ANALYSIS; IDENTIFY OVARIAN-CANCER; PROTEOMIC PATTERNS; TOF-SIMS; SPECTROMETRY AB Time-Of-Flight Mass Spectrometry (TOF-SIMS) was used to determine elemental and biomolecular ions from isolated protein samples. We identified a set of 23 mass-to-charge ratio (m/z) peaks that represent signatures for distinguishing biological samples. The 23 peaks were identified by Singular Value Decomposition (SVD) and Canonical Analysis (CA) to find the underlying structure in the complex mass-spectra data sets. From this modified data, SVD was used to identify sets of m/z peaks, and we used these patterns from the TOF/SIMS data to predict the biological source from which individual mass spectra were generated. The signatures were validated using an additional data set different from the initial training set used to identify the signatures. We present a simple method to identify multiple variables required for sample classification based on mass spectra that avoids overfit. This is important in a variety of studies using mass spectrometry, including the ability to identify proteins in complex mixtures and for the identification of new biomarkers. C1 Georgetown Univ, Lombardi Comprehens Canc Ctr, Washington, DC 20057 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Quong, AA (reprint author), Georgetown Univ, Lombardi Comprehens Canc Ctr, 3970 Reservoir Rd NW, Washington, DC 20057 USA. EM aaq2@georgetown.edu NR 14 TC 0 Z9 0 U1 0 U2 1 PU VERLAG HELVETICA CHIMICA ACTA AG PI ZURICH PA HOFWIESENSTRASSE 26, POSTFACH, CH-8042 ZURICH, SWITZERLAND SN 1612-1872 J9 CHEM BIODIVERS JI Chem. Biodivers. PY 2005 VL 2 IS 11 BP 1495 EP 1502 DI 10.1002/cbdv.200590121 PG 8 WC Biochemistry & Molecular Biology; Chemistry, Multidisciplinary SC Biochemistry & Molecular Biology; Chemistry GA 989RW UT WOS:000233692500008 PM 17191949 ER PT J AU Quong, JN Golumbfskie, AJ Nichols, A Quong, AA AF Quong, JN Golumbfskie, AJ Nichols, A Quong, AA TI A three-dimensional model of intercellular calcium signaling in epithelial cells SO CHEMISTRY & BIODIVERSITY LA English DT Article; Proceedings Paper CT Symposium on Looking to the Future - Computational Methods in Drug Design CY APR 03-06, 2005 CL Casa Maderni, Virginia Tech Ctr European Studies & Architecture, San Vitale, SWITZERLAND SP Virginia Tech HO Casa Maderni, Virginia Tech Ctr European Studies & Architecture ID ENDOPLASMIC-RETICULUM; INOSITOL 1,4,5-TRISPHOSPHATE; CA2+ DIFFUSION; OSCILLATIONS; WAVES; PROPAGATION; CALMODULIN; MECHANISM; CHANNELS; ROLES AB We have developed a fully three-dimensional (3D) model of calcium signaling in epithelial cells based on a set of reaction diffusion equations that are solved on a large-scale finite-element code in three dimensions. We have explicitly included the cellular compartments including the cell nucleus, cytoplasm, and gap junctions. The model allows for buffering of free Ca2+, calcium-induced calcium release, and the explicit inclusion of mobile buffers. To make quantitative comparisons to experimental results, we used fluorescence microscopy images of cells to generate an accurate mesh describing cell morphology. We found that Ca2+ wave propagation through the tissue is a function of both initial conditions used to start the wave and various geometrical parameters that affect propagation such as gap junction density and distribution, and the presence of nuclei. The exogenous dyes used in experimental imaging also affect wave propagation. C1 Georgetown Univ, Lombardi Comprehens Canc Ctr, Washington, DC 20057 USA. Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. RP Quong, AA (reprint author), Georgetown Univ, Lombardi Comprehens Canc Ctr, 3970 Reservoir Rd NW,Res Bldg EG19, Washington, DC 20057 USA. EM aaq2@georgetown.edu NR 21 TC 1 Z9 1 U1 0 U2 0 PU VERLAG HELVETICA CHIMICA ACTA AG PI ZURICH PA HOFWIESENSTRASSE 26, POSTFACH, CH-8042 ZURICH, SWITZERLAND SN 1612-1872 J9 CHEM BIODIVERS JI Chem. Biodivers. PY 2005 VL 2 IS 11 BP 1553 EP 1563 DI 10.1002/cbdv.200590126 PG 11 WC Biochemistry & Molecular Biology; Chemistry, Multidisciplinary SC Biochemistry & Molecular Biology; Chemistry GA 989RW UT WOS:000233692500013 PM 17191954 ER PT B AU Haas, JS Gonzalez, MA AF Haas, JS Gonzalez, MA BE Mournighan, R Dudzinska, MR Barich, J Gonzalez, MA Black, RK TI Rapid on-site environmental sampling and analysis of propellant stabilizers and their decomposition products by portable sampling and thin-layer chromatography kits SO CHEMISTRY FOR THE PROTECTION OF THE ENVIRONMENT 4 SE ENVIRONMENTAL SCIENCE RESEARCH LA English DT Proceedings Paper CT 13th Conference on Chemistry for the Protection of the Environment CY JUN 09-12, 2002 CL Hilo, HI DE explosives analysis; field test kit; propellant stabilizer analysis; thin-layer chromatography; defense clean-up; environmental field test kit AB Sustainable future use of land containing unexploded ordnance requires extensive field assessments, cleanup, and restoration. The ordnance is generally semi-exposed or buried in pits and, because of aging, needs to be handled with caution. Being able to characterize the ordnance in the field to minimize handling, as well as to distinguish it from inert mock material, greatly facilitates assessments and clean-up. We have developed unique sample preparation methodologies and a portable thin-layer chromatography (TLC) kit technology for rapid field screening and quantitative assessment of stabilizer content in propellants and, energetic materials (explosives) in environmental scenarios. Major advantages of this technology include simultaneous chromatography of multiple samples and standards for high sample throughput, high resolution, very low detection limits, and ease of operation. The TLC kit technology, sponsored by the Defense Ammunition Center (DAC) of the U.S. Army, is now patented and has been completely transitioned to our commercial partners, Ho olana Technologies, located in Hilo, Hawaii. Once fully deployed in the field, the new technology will demonstrate a cost-effective and efficient means for determining the percent of effective stabilizer that is remaining on-site and at munitions clean-up sites, as well as munitions storage facilities. The TLC kit technology is also readily applicable for analysis at military or commercial facilities, for a variety of emergency and non-emergency scenarios, and for situations where public concern is high. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Haas, JS (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave, Livermore, CA 94550 USA. EM haas1@llnl.gov; gonzalez3@llnl.gov; gonzalez3@llnl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 0-387-23020-3 J9 ENVIR SCI R PY 2005 VL 59 BP 125 EP 135 PG 11 WC Chemistry, Applied; Engineering, Environmental; Environmental Sciences SC Chemistry; Engineering; Environmental Sciences & Ecology GA BBQ53 UT WOS:000227154700011 ER PT J AU Torres, DF Romero, GE Mirabel, F AF Torres, DF Romero, GE Mirabel, F TI Neutrinos from microquasars SO CHINESE JOURNAL OF ASTRONOMY AND ASTROPHYSICS LA English DT Article; Proceedings Paper CT 5th Microquasar Workshop CY JUN 07-13, 2004 CL Tsinghua Univ, Beijing, PEOPLES R CHINA SP Natl Nat Sci Fdn China, Chinese Acad Sci, Natl Astron Observ China, Nanjing Univ, Dept Astron, Chinese Acad Sci, Inst High Energy Phys, Key Lab Particle Astrophys, Tsinghua Univ, Ctr Astrophys HO Tsinghua Univ DE X-rays : binaries; stars : winds, outflows; gamma-rays : observations; gamma-rays : theory ID RAY-EMISSION; RADIATION; MODELS AB The jets of microquasars with high-mass stellar companions are exposed to the dense matter field of the stellar wind as well as to the photon densities found in the surrounding medium. Photopion and proton-proton interactions could then lead to copious production of neutrinos. In this work, we analyze the hadronic microquasar model, particularly in what concerns to the neutrino production. Limits to this kind of models using data from AMANDA-II are established. New constraints are also imposed upon specific microquasar models based on photopion processes. These are very restrictive particularly for the case of SS433, a microquasar for which the presence of accelerated hadrons has been already inferred from iron X-ray line observations. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Natl Univ La Plata, Fac Ciencias Astron & Geofis, RA-1900 La Plata, Argentina. Inst Argentino Radioastron, RA-1894 Buenos Aires, DF, Argentina. CEA, DSM DAPNIA, Serv Astrophys, Ctr Etud Saclay, F-91191 Gif Sur Yvette, France. Consejo Nacl Invest Cient & Tecn, Inst Astron & Fis Espacio, RA-1033 Buenos Aires, DF, Argentina. RP Torres, DF (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave,L-413, Livermore, CA 94550 USA. EM dtorres@igpp.ucllnl.org NR 18 TC 7 Z9 7 U1 0 U2 0 PU SCIENCE PRESS PI BEIJING PA 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA SN 1009-9271 J9 CHINESE J ASTRON AST JI Chin. J. Astron. Astrophys. PY 2005 VL 5 SU S BP 183 EP 188 PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 995XD UT WOS:000234137100029 ER PT J AU Bosch-Ramon, V Paredes, JM Romero, GE Torres, DF AF Bosch-Ramon, V Paredes, JM Romero, GE Torres, DF TI Microquasar models for 3EG J1828+0142 and 3EG J1735-1500 SO CHINESE JOURNAL OF ASTRONOMY AND ASTROPHYSICS LA English DT Article; Proceedings Paper CT 5th Micorquasar Workshop CY JUN 07-13, 2004 CL Tsinghua Univ, Beijing, PEOPLES R CHINA SP Natl Nat Sci Fdn China, Chinese Acad Sci, Natl Astron Observ China, Nanjing Univ, Dept Astron, Chinese Acad Sci, Inst High Energy Phys, Key Lab Particle Astrophys, Tsinghua Univ, Ctr Astrophys HO Tsinghua Univ DE X-rays : binaries; stars : winds, outflows; gamma-rays : observations; gamma-rays : theory ID GAMMA-RAY SOURCES; DISCOVERY; EMISSION; VARIABILITY; GALAXY AB Microquasars are promising candidates to emit high-energy gamma-rays. Moreover, statistical studies show that variable EGRET sources at low galactic latitudes could be associated with the inner spiral arms. The variable nature and the location in the Galaxy of the high-mass microquasars, concentrated in the galactic plane and within 55 degrees from the galactic center, give to these objects the status of likely counterparts of the variable low-latitude EGRET sources. We consider in this work the two most variable EGRET sources at low-latitudes: 3EG J1828+0142 and 3EG J1735-1500, proposing a microquasar model to explain the EGRET data in consistency with the observations at lower energies (from radio frequencies to soft gamma-rays) within the EGRET error box. C1 Univ Barcelona, Dept Astron Meteorol, E-08028 Barcelona, Spain. Inst Argentino Radioastron, Buenos Aires, DF, Argentina. Natl Univ La Plata, Fac Ciencias Astron & Geofis, RA-1900 La Plata, Argentina. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Bosch-Ramon, V (reprint author), Univ Barcelona, Dept Astron Meteorol, Av Diagonal 647, E-08028 Barcelona, Spain. EM vbosch@am.ub.es NR 21 TC 0 Z9 0 U1 0 U2 0 PU SCIENCE PRESS PI BEIJING PA 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA SN 1009-9271 J9 CHINESE J ASTRON AST JI Chin. J. Astron. Astrophys. PY 2005 VL 5 SU S BP 284 EP 288 PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 995XD UT WOS:000234137100046 ER PT S AU Carpick, RW Burns, AR Sasaki, DY Eriksson, MA Marcus, MS AF Carpick, RW Burns, AR Sasaki, DY Eriksson, MA Marcus, MS BE Jenekhe, SA Kiserow, DJ TI Chromic transitions and nanomechanical properties of poly(diacetylene) molecular films SO CHROMOGENIC PHENOMENA IN POLYMERS: TUNABLE OPTICAL PROPERTIES SE ACS SYMPOSIUM SERIES LA English DT Article; Proceedings Paper CT Symposium on Chromogenic Phenomena in Polymers CY APR 07-12, 2002 CL Orlando, FL SP ACS Div Polymer Chem ID ATOMIC-FORCE MICROSCOPY; GAS-WATER INTERFACE; POLYDIACETYLENE MONOLAYER; POLYMERIZATION; MECHANOCHROMISM; THERMOCHROMISM; FLUORESCENCE; LIPOSOMES; FRICTION; CRYSTAL AB Polymerization of ultrathin films containing the diacetylene group has produced a variety of robust, highly oriented, and environmentally responsive films with unique chromatic properties. We present recent developments in the preparation and analysis of ultrathin poly(diacetylene) layers on solid substrates, one to three molecular layers thick. This chapter reviews the structural properties, mechanochromism, and in-plane mechanical anisotropy of these films. Atomic force microscopy (AFM) and fluorescence microscopy confirm that the films are organized into highly ordered domains, with the conjugated backbones parallel to the surface. The number of stable layers is affected by the head group functionality. Local mechanical stress applied by AFM and near-field optical probes induces a transition in the film at the nanometer scale involving substantial optical and structural changes. In addition, we show that AFM reveals the relation between the highly anisotropic character of the chromatic polymer C1 Univ Wisconsin, Dept Engn Phys, Madison, WI 53704 USA. Univ Wisconsin, Dept Phys, Madison, WI 53704 USA. Sandia Natl Labs, Biomol Mat & Interfaces Dept, Albuquerque, NM 87185 USA. RP Carpick, RW (reprint author), Univ Wisconsin, Dept Engn Phys, Madison, WI 53704 USA. NR 33 TC 1 Z9 1 U1 0 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA SN 0097-6156 BN 0-8412-3830-8 J9 ACS SYM SER PY 2005 VL 888 BP 82 EP 95 PG 14 WC Chemistry, Multidisciplinary; Materials Science, Multidisciplinary; Optics; Polymer Science SC Chemistry; Materials Science; Optics; Polymer Science GA BBI63 UT WOS:000225634600006 ER PT S AU Song, J Stevens, RC Cheng, Q AF Song, J Stevens, RC Cheng, Q BE Jenekhe, SA Kiserow, DJ TI Functional Amphiphilic and bolaamphiphilic poly(diacetylene) assemblies with controlled optical and morphological properties SO CHROMOGENIC PHENOMENA IN POLYMERS: TUNABLE OPTICAL PROPERTIES SE ACS SYMPOSIUM SERIES LA English DT Article; Proceedings Paper CT Symposium on Chromogenic Phenomena in Polymers CY APR 07-12, 2002 CL Orlando, FL SP ACS Div Polymer Chem ID INDUCED CHROMATIC TRANSITION; SUPRAMOLECULAR ASSEMBLIES; COLORIMETRIC DETECTION; CONJUGATED POLYMER; HELICAL RIBBONS; MEMBRANES; ACID; LIPOSOMES; VESICLES; TUBULES AB Amino acid-terminated amphiphilic and bolaamphiphilic diacetylene lipids were synthesized and assembled to form microstructures of varied morphologies. UV irradiation of the assemblies leads to conjugated polymers with unique optical properties. Chromatic transition of polydiacetylene materials in response to pH and thermal effect and their morphological transformation upon lipid doping are discussed. C1 Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA. Univ Calif Riverside, Dept Chem, Riverside, CA 92521 USA. RP Song, J (reprint author), Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RI Cheng, Jason/C-6345-2011 NR 26 TC 0 Z9 0 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA SN 0097-6156 BN 0-8412-3830-8 J9 ACS SYM SER PY 2005 VL 888 BP 96 EP 109 PG 14 WC Chemistry, Multidisciplinary; Materials Science, Multidisciplinary; Optics; Polymer Science SC Chemistry; Materials Science; Optics; Polymer Science GA BBI63 UT WOS:000225634600007 ER PT J AU Dugan, LC Pattee, MS Williams, J Eklund, M Sorensen, K Bedford, JS Christian, AT AF Dugan, LC Pattee, MS Williams, J Eklund, M Sorensen, K Bedford, JS Christian, AT TI Polymerase chain reaction-based suppression of repetitive sequences in whole chromosome painting probes for FISH SO CHROMOSOME RESEARCH LA English DT Article DE chromosome painting; DNA amplification; fluorescence in-situ hybridization; polymerase chain reaction ID PCR; DNA; HYBRIDIZATION; METAPHASE; RADIATION; CELLS AB We have developed a method to suppress the PCR amplification of repetitive sequences in whole chromosome painting probes by adding Cot-1 DNA to the amplification mixture. The repetitive sequences in the Cot-1 DNA bind to their homologous sequences in the probe library, prevent the binding of primers, and interfere with extension of the probe sequences, greatly decreasing PCR efficiency selectively across these blocked regions. A second labelling reaction is then done and this product is resuspended in FISH hybridization mixture without further addition of blocking DNA. The hybridization produces little if any non-specific binding on any other chromosomes. We have been able to successfully use this procedure with both human and rat chromosome probes. This technique should be applicable in producing probes for CGH, M-FISH and SKY, as well as reducing the presence of repetitive DNA in genomic libraries. C1 Lawrence Livermore Natl Lab, Biol & Biotechnol Res Program, Livermore, CA 94550 USA. Colorado State Univ, Dept Environm & Radiol Hlth Sci, Ft Collins, CO 80523 USA. RP Dugan, LC (reprint author), Lawrence Livermore Natl Lab, Biol & Biotechnol Res Program, L-448, Livermore, CA 94550 USA. EM dugan3@llnl.gov FU NCI NIH HHS [CA55861] NR 11 TC 5 Z9 7 U1 0 U2 1 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0967-3849 J9 CHROMOSOME RES JI Chromosome Res. PD JAN PY 2005 VL 13 IS 1 BP 27 EP 32 DI 10.1007/s10577-005-2349-7 PG 6 WC Biochemistry & Molecular Biology; Genetics & Heredity SC Biochemistry & Molecular Biology; Genetics & Heredity GA 911GZ UT WOS:000227991900003 PM 15791409 ER PT B AU Shadle, LJ Monazam, ER Mei, JS AF Shadle, LJ Monazam, ER Mei, JS BE Cen, K TI Slip velocities in the homogeneous flow regime of an industrial scale cold flow circulating fluidized bed SO Circulating Fluidized Bed Technology VIII LA English DT Proceedings Paper CT 8th International Conference on Circulating Fluidized Beds CY MAY 10-13, 2005 CL Hangzhou, PEOPLES R CHINA SP Zhejiang Univ, Minist Educ China, Nat Sci Fdn China, YC Tang Disciplinary Dev Fund, Zhejiang Univ, Chinese Soc Engn Thermophys, Chinese Soc Power Engn, Chinese Soc Particuol, Zhejiang Prov Soc Engn Thermophys ID TRANSIENT METHOD; RISERS; DENSITY AB Cold now tests were conducted to evaluate the relative slip of solids within a flowing stream of air in a circulating fluidized bed. These tests were conducted in the 0.3-meter diameter 15-m tall circulating fluidized bed test facility. Geldart type B particles were used in this study including granulated cork, glass heads, and coal derived coke breeze. Extensive testing was conducted to map the entire operating regime for each bed material. Tests which produced a uniform axial pressure profiles, or in which a fully developed uniform region could be identified, were selected for analysis of the gas-solids slip. Over 50 steady state data sets were available spanning a wide range of gas velocities, pressures, and solids fluxes. The riser pressure profile was analyzed to determine the bed voidage in the fully developed region of the riser. The solids circulation rate was measured from the rotation of a spiral twisted vane positioned in the packed region of the standpipe. The slip velocity was calculated from the voidage and solids flow measurement and compared to literature. The slip factor approached values of 2-4 for dilute flow conditions and increased up to a limit of 15 to 20 for dense suspension upflow conditions depending on the bed materials. A non-dimensional relationship was developed to predict the slip as a function of bed materials, operating conditions and system geometry. C1 US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Shadle, LJ (reprint author), US DOE, Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26507 USA. NR 21 TC 1 Z9 1 U1 0 U2 1 PU INTERNATIONAL ACADEMIC PUBLISHERS LTD PI HONG KONG PA UNIT 1205, 12 FLOOR, SINO PLAZA, 255 GLOUCESTER ROAD, HONG KONG 00000, CAUSEWAY BAY, PEOPLES R CHINA BN 7-5062-7442-6 PY 2005 BP 143 EP 150 PG 8 WC Engineering, Chemical SC Engineering GA BDZ46 UT WOS:000236349300015 ER PT B AU Breault, RW Shadle, LJ Pandey, P AF Breault, RW Shadle, LJ Pandey, P BE Cen, K TI Granular temperature, turbulent kinetic energy and solids fraction of cork particles at the wall in the riser of a CFB SO Circulating Fluidized Bed Technology VIII LA English DT Proceedings Paper CT 8th International Conference on Circulating Fluidized Beds CY MAY 10-13, 2005 CL Hangzhou, PEOPLES R CHINA SP Zhejiang Univ, Minist Educ China, Nat Sci Fdn China, YC Tang Disciplinary Dev Fund, Zhejiang Univ, Chinese Soc Engn Thermophys, Chinese Soc Power Engn, Chinese Soc Particuol, Zhejiang Prov Soc Engn Thermophys AB The development of granular theory and the Eulerian-Eulerian representation of flowing two-phase reactive systems provides the methodology to better simulate and design these complex systems. Granular theory is. the analogous theory for discrete particles as the kinetic theory of gases is for gas molecules. In gases the differences in time scales between molecular collisions in which fluctuations in molecular velocities represent temperature and those that represent turbulence spans 5 to 10 orders of magnitude. However, in the granular analogy, the time scales for particle collisions is only I or two orders of magnitude smaller than that of turbulent velocity fluctuations. Sometimes, because of the differences in voidage, distributions of velocities and particle sizes, the time scale for velocity fluctuations between collisions is on the same order of magnitude as that of the turbulent fluctuations. In this paper a method is presented to distinguish between particles velocity fluctuations contributing to granular temperature and those contributing to turbulent kinetic energy. Criteria are established to insure adequate resolution necessary to measure granular temperature. Comparisons are made for both granular temperature and turbulent kinetic energy between computational fluid dynamic simulations using NETL's MFIX and experiments using 812 mu m cork particles measured near the wall in the core annular flow regime of a circulating fluidized bed riser. The overall granular temperatures were found to be 2 to 5 times smaller than the turbulent kinetic energy. Average values for the overall mixture granular temperature in this cork system ranged between 0.02 to 0.1 m(2)/s(2), while the turbulent kinetic energy ranged from 0.6 to 0.9 m(2)/s(2). Both were dependent upon solids void fractions: decreasing with increasing solids fraction. C1 US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Breault, RW (reprint author), US DOE, Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26507 USA. NR 9 TC 0 Z9 0 U1 1 U2 2 PU INTERNATIONAL ACADEMIC PUBLISHERS LTD PI HONG KONG PA UNIT 1205, 12 FLOOR, SINO PLAZA, 255 GLOUCESTER ROAD, HONG KONG 00000, CAUSEWAY BAY, PEOPLES R CHINA BN 7-5062-7442-6 PY 2005 BP 755 EP 761 PG 7 WC Engineering, Chemical SC Engineering GA BDZ46 UT WOS:000236349300097 ER PT B AU Monazam, ER Shadle, LJ Berry, DA AF Monazam, ER Shadle, LJ Berry, DA BE Cen, K TI Model validation of S-sorption with ZnO in a transport reactor SO Circulating Fluidized Bed Technology VIII LA English DT Proceedings Paper CT 8th International Conference on Circulating Fluidized Beds CY MAY 10-13, 2005 CL Hangzhou, PEOPLES R CHINA SP Zhejiang Univ, Minist Educ China, Nat Sci Fdn China, YC Tang Disciplinary Dev Fund, Zhejiang Univ, Chinese Soc Engn Thermophys, Chinese Soc Power Engn, Chinese Soc Particuol, Zhejiang Prov Soc Engn Thermophys ID FLUIDIZED-BEDS AB A one dimensional plug-flow model was developed to describe the sulfidation of the zinc oxide sorbents in a transport reactor. The model predictions were validated against experimental data from a bench-scale transport reactor. Tests were conducted with 70 mu m ZnO particles in a nitrogen stream with 1% H2S at 2100 kPa and 811 K. The sorbent was recycled through the system to simulate 10 passes through the reactor. The model was run simulating the effects of reduction in BET surface area due to conversion and sorbent sintering, separately. The model was also used to perform a sensitivity analysis on the effect of operating temperature, reactor gas velocity, and the presence of H2O in the gas stream on the hot gas desulfurization performance. C1 US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Monazam, ER (reprint author), US DOE, Natl Energy Technol Lab, 3601 Collins Ferry Rd, Morgantown, WV 26507 USA. NR 9 TC 0 Z9 0 U1 0 U2 0 PU INTERNATIONAL ACADEMIC PUBLISHERS LTD PI HONG KONG PA UNIT 1205, 12 FLOOR, SINO PLAZA, 255 GLOUCESTER ROAD, HONG KONG 00000, CAUSEWAY BAY, PEOPLES R CHINA BN 7-5062-7442-6 PY 2005 BP 852 EP 860 PG 9 WC Engineering, Chemical SC Engineering GA BDZ46 UT WOS:000236349300109 ER PT B AU Bent, J Rotem, D Romosan, A Shoshani, A AF Bent, J Rotem, D Romosan, A Shoshani, A GP IEEE Comp Soc TI Coordination of data movement with computation scheduling on a cluster SO CLADE 2005: CHALLENGES OF LARGE APPLICATIONS IN DISTRIBUTED ENVIRONMENTS, PROCEEDINGS LA English DT Proceedings Paper CT 3rd International Workshop on Challenges of Large Applications in Distributed Environments (CLADE 2005) CY JUL 24, 2005 CL Res Triangle Pk, NC SP IEEE, IEEE Comp Soc AB We are looking at the problem of scheduling compute tasks on a cluster of servers. These tasks require files that reside on a remote archive, and may also be cached on some subset of the servers. A task can only be run on a server that has the files it requires. This introduces the problem of scheduling data movement in coordination with the scheduling of computation. Our goal is to maximize throughput while minimizing data movement. FIFO scheduling is not efficient in this situation due to its lack of awareness of the data movement required. We looked at two other strategies, called shortest job first and linear programming based optimization, and compared them under various configurations. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 15 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 0-7803-9043-1 PY 2005 BP 25 EP 34 DI 10.1109/CLADE.2005.1520896 PG 10 WC Computer Science, Theory & Methods SC Computer Science GA BCX86 UT WOS:000231821000003 ER PT B AU Disz, T Kubal, M Olson, R Overbeek, R Stevens, R AF Disz, T Kubal, M Olson, R Overbeek, R Stevens, R GP IEEE Comp Soc TI Challenges in large scale distributed computing: Bioinformatics SO CLADE 2005: Challenges of Large Applications in Distributed Environments, Proceedings LA English DT Proceedings Paper CT 3rd International Workshop on Challenges of Large Applications in Distributed Environments (CLADE 2005) CY JUL 24, 2005 CL Res Triangle Pk, NC SP IEEE, IEEE Comp Soc ID TOOL; MODEL AB The amount of genomic data available for study is increasing [1] at a rate similar to that of Moore's Law [2]. This deluge of data is challenging bioinformaticians to develop newer, faster and better algorithms for analysis and examination of this data. The growing availability of large scale computing grids coupled with high-performance networking [3] is challenging computer scientists to develop better, faster methods of exploiting parallelism in these biological computations and deploying them across computing grids. In this paper, we describe two computations that are required to be run frequently and which require large amounts of computing resource to complete in a reasonable time. The data for these computations are very large and the sequential computational time can exceed thousands of hours. We show the importance and relevance of these computations, the nature of the data and parallelism and we show how we are meeting the challenge of efficiently distributing and managing these computations in the SEED [4] project. C1 Univ Chicago, Argonne Natl Lab, Chicago, IL 60637 USA. RP Disz, T (reprint author), Univ Chicago, Argonne Natl Lab, Chicago, IL 60637 USA. NR 20 TC 0 Z9 1 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 0-7803-9043-1 PY 2005 BP 57 EP 65 DI 10.1109/CLADE.2005.1520902 PG 9 WC Computer Science, Theory & Methods SC Computer Science GA BCX86 UT WOS:000231821000006 ER PT J AU Fitzgerald, RL Hillegonds, DJ Burton, DW Griffin, TL Mullaney, S Vogel, JS Deftos, LJ Herold, DA AF Fitzgerald, RL Hillegonds, DJ Burton, DW Griffin, TL Mullaney, S Vogel, JS Deftos, LJ Herold, DA TI Ca-41 and accelerator mass spectrometry to monitor calcium metabolism in end stage renal disease patients SO CLINICAL CHEMISTRY LA English DT Meeting Abstract CT 57th Annual Meeting of the American-Association-for-Clinical-Chemistry CY JUL 24-28, 2005 CL Orlando, FL SP Amer Assoc Clin Chem C1 Univ Calif San Diego, VAMC, San Diego, CA USA. Lawrence Livermore Natl Lab, Livermore, CA USA. SDSU, VAMC, San Diego, CA USA. Univ Calif Davis, Lawrence Livermore Natl Labs, Livermore, CA USA. NR 0 TC 1 Z9 1 U1 0 U2 0 PU AMER ASSOC CLINICAL CHEMISTRY PI WASHINGTON PA 2101 L STREET NW, SUITE 202, WASHINGTON, DC 20037-1526 USA SN 0009-9147 J9 CLIN CHEM JI Clin. Chem. PY 2005 VL 51 SU 6 BP A232 EP A232 PG 1 WC Medical Laboratory Technology SC Medical Laboratory Technology GA 930YH UT WOS:000229452500747 ER PT J AU Jayaweera, TM Melius, CF Pitz, WJ Westbrook, CK Korobeinichev, OP Shvartsberg, VM Shmakov, AG Rybitskaya, IV Curran, HJ AF Jayaweera, TM Melius, CF Pitz, WJ Westbrook, CK Korobeinichev, OP Shvartsberg, VM Shmakov, AG Rybitskaya, IV Curran, HJ TI Flame inhibition by phosphorus-containing compounds over a range of equivalence ratios SO COMBUSTION AND FLAME LA English DT Article DE flame inhibition; organophosphorus compounds; laminar flame speed; detailed chemical kinetic modeling ID ADIABATIC BURNING VELOCITY; CHEMICAL KINETIC DATABASE; COMBUSTION CHEMISTRY; METHANE-AIR; RECOMBINATION; MODEL; H+OH; NO2; OH AB There is much interest in the combustion mechanism of organophosphorus compounds (OPCs) due to their role as potential halon replacements in fire suppression. A continuing investigation of the inhibition activity of organophosphorus compounds under a range of equivalence ratios was performed experimentally and computationally, as measured by the burning velocity. Updates to a previous mechanism were made by the addition and modification of reactions in the mechanism for a more complete description of the inhibition reactions. Reaction pathways for HOPO(2) + H and HOPO + H are analyzed using the BAC-G2 approach. A new reaction pathway for HOPO(2) + H = PO(2) + H(2)O has been identified which results in a higher rate constant than that reported in the literature. In this work, the laminar flame speed is measured experimentally and calculated numerically for a premixed propane/air flame at 1 atm, under a range of equivalence ratios, undoped and doped with dimethyl methylphosphonate (DMMP). A detailed investigation of the catalytic cycles involved in the recombination of key flame radicals is made for two equivalence ratios, fuel lean and fuel rich. From this, the importance of different catalytic cycles involved in the lean versus rich case is discussed. The chemical kinetic model indicates that the HOPO(2) <----> PO(2) inhibition cycle is more important in the lean flame than the rich. The OPCs are similarly effective across the range, demonstrating the robustness of OPCs as flame suppressants. In addition, it is shown that the phosphorus compounds are most active in the high-temperature region of the flame. This may, in part, explain their high level of inhibition effectiveness. (C) 2004 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Inst Chem Kinet & Combust, Novosibirsk 630090, Russia. Natl Univ Ireland Univ Coll Galway, Dept Chem, Galway, Ireland. RP Pitz, WJ (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM pitz1@llnl.gov RI Shvartsberg, Vladimir/B-1045-2014; Shmakov, Andrey/A-9996-2014; OI Curran, Henry/0000-0002-5124-8562 NR 40 TC 48 Z9 56 U1 2 U2 16 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 J9 COMBUST FLAME JI Combust. Flame PD JAN PY 2005 VL 140 IS 1-2 BP 103 EP 115 DI 10.1016/j.combustflame.2004.11.001 PG 13 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 893KC UT WOS:000226716700008 ER PT J AU Balthasar, M Frenklach, M AF Balthasar, M Frenklach, M TI Detailed kinetic modeling of soot aggregate formation in laminar premixed flames SO COMBUSTION AND FLAME LA English DT Article DE soot formation; particle aggregation.; laminar premixed flames; kinetic modeling ID LIGHT-SCATTERING; PARTICLE COAGULATION; CLUSTER FORMATION; DIFFUSION FLAME; PRESSURE; MORPHOLOGY; MOMENTS; GROWTH; HYDROCARBONS; PARAMETERS AB Transition from coalescent to aggregate growth of soot particles in laminar premixed flames was investigated using detailed numerical simulations. A method-of-moments formulation for particle amregation was developed on the basis of recent Monte Carlo simulations and coupled with a detailed chemical kinetics mechanism of soot formation. The combined model was applied to ensemble-averaged simulations of a number of burner-stabilized premixed laminar flames and compared to measurements. The effect of initial conditions on the transition from coalescent to aggregate growth was investigated by simulating a series of freely propagating laminar premixed flames. The instant of transition and the degree of aggregation were analyzed in relation to variations in fuel type, fuel/air equivalence ratio, and pressure. The analysis demonstrated a complex interaction of particle nucleation, surface growth, and coagulation. with nucleation playing a key role in the transition from coalescent to aggregate growth. The present conclusions are in accord with the prior theoretical study. (C) 2004 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. VOLVO Technol, CFD & Combust, Gothenburg, Sweden. RP Frenklach, M (reprint author), Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. EM myf@me.berkeley.edu NR 51 TC 48 Z9 52 U1 1 U2 35 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 J9 COMBUST FLAME JI Combust. Flame PD JAN PY 2005 VL 140 IS 1-2 BP 130 EP 145 DI 10.1016/j.combustflame.2004.11.004 PG 16 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 893KC UT WOS:000226716700010 ER PT J AU Chaos, M Chen, RH Welle, EJ Roberts, WL AF Chaos, M Chen, RH Welle, EJ Roberts, WL TI Fuel Lewis number effects in unsteady Burke-Schumann hydrogen flames SO COMBUSTION SCIENCE AND TECHNOLOGY LA English DT Article DE unsteadiness; Lewis number; stretch; curvature; pulsation; diffusion flame ID NITRIC-OXIDE EMISSION; FINITE-RATE CHEMISTRY; PREFERENTIAL DIFFUSION; DYNAMICS AB Flame response (as determined by temperature and flame thickness) to unsteady hydrodynamics has been measured in acoustically pulsed Burke-Schumann hydrogen flames at two different oscillation frequencies and amplitudes. The effect of fuel Lewis number (Le(F)) on flame dynamics is isolated by investigating steady and unsteady 40% H-2/60% He (Le(F)> 1) and 40% H-2/60% Ar (Le(F) < 1) flames. For a given flame with Le(F) < 1, local temperature was found to increase with stretch imparted on the reaction zone by the unsteady flow, whereas the opposite trend was observed for the LeF > 1 flame. Unsteadiness might qualitatively alter the effect of the fuel Lewis number. Notably, for Le(F) < 1 flames under oscillations Of SUfficiently high frequency and amplitude, the temperature at the flame tip is higher than that in the shoulder regions, and is different from the temperature field of both steady and low-frequency oscillation flames. This suggests that the effect of unsteady flame stretch may overwhelm that of the flame curvature for sufficiently high unsteadiness. C1 Univ Cent Florida, Dept Mech Mat & Aerosp Engn, Orlando, FL 32816 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. N Carolina State Univ, Dept Mech & Aerosp Engn, Raleigh, NC 27695 USA. RP Chen, RH (reprint author), Univ Cent Florida, Dept Mech Mat & Aerosp Engn, Orlando, FL 32816 USA. EM chenrh@mail.ucf.edu NR 24 TC 7 Z9 7 U1 0 U2 6 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0010-2202 J9 COMBUST SCI TECHNOL JI Combust. Sci. Technol. PD JAN PY 2005 VL 177 IS 1 BP 75 EP + DI 10.1080/00102200590883660 PG 16 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical SC Thermodynamics; Energy & Fuels; Engineering GA 889AQ UT WOS:000226416300004 ER PT S AU Efimov, A Taylor, AJ Omenetto, FG Knight, JC Yulin, AV Biancalana, F Kumar, VVRK Joly, NY Russell, PS Skryabin, DV AF Efimov, A Taylor, AJ Omenetto, FG Knight, JC Yulin, AV Biancalana, F Kumar, VVRK Joly, NY Russell, PS Skryabin, DV BE Neev, J Schaffer, CB Ostendorf, A Nolte, S TI Visualizing nonlinear dynamics in optical waveguides SO Commercial and Biomedical Applications of Ultrafast Lasers V SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT Conference on Commercial and Biomedical Applications of Ultrafast Lasers V CY JAN 24-27, 2005 CL San Jose, CA SP SPIE, Spectra Psys, IMRA Amer Inc DE soliton; supercontinuum; photonic crystal fiber; cross-correlation frequency-resolved optical gating ID GROUP-DISPERSION WAVELENGTH; PHOTONIC CRYSTAL FIBERS; HIGHER-ORDER DISPERSION; MICROSTRUCTURED FIBERS; CONTINUUM GENERATION; PULSE-PROPAGATION; ULTRASHORT PULSES; SOLITONS; ZERO; SUPERCONTINUUM AB Optical waveguides provide rich environment for various nonlinear processes thanks to the long interaction lengths, sustained high intensities and diverse dispersion regimes. Nonlinear and dispersion properties of fibers and waveguides can be widely controlled through microstructuring resulting in a broad family of photonic crystal and bandgap waveguides. This flexibility can be used to realize previously impossible nonlinear interaction regimes for solitons and quasi-continuous waves. The dynamics of femtosecond optical pulses in such dispersive and nonlinear materials provide a truly challenging measurement task, but reward us with most spectacular images of nonlinear wave interactions. We visualized the dynamics of solitons and continua in several such structures using cross-correlation frequency-resolved optical gating, the technique which provides experimentally the most complete information about an optical pulse. These detailed time and frequency-resolved measurements infinitely surpass the simple spectral measurements or even the time axis-symmetric FROG spectrograms. Soliton dynamics in the vicinity of the second zero-dispersion point of a silica PC fiber, Cherenkov continuum generation, stabilization against the Raman self-frequency shift and other resonant interactions as well as the supercontinuum generation in soft-glass fibers were characterized. Recent theoretical studies were brought about to develop a fundamental understanding of these resonant interactions and excellent agreement was found. C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Efimov, A (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, MST-10, Los Alamos, NM 87545 USA. RI Yulin, Alexey/M-9613-2013; Yulin, Alexey/B-6139-2015; OI Yulin, Alexey/0000-0002-0739-0764; Yulin, Alexey/0000-0002-2403-6564; Biancalana, Fabio/0000-0002-4093-7688; Efimov, Anatoly/0000-0002-5559-4147 NR 23 TC 1 Z9 1 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 0-8194-5688-8 J9 P SOC PHOTO-OPT INS PY 2005 VL 5714 BP 160 EP 172 DI 10.1117/12.602147 PG 13 WC Optics; Physics, Applied SC Optics; Physics GA BCH75 UT WOS:000229338100017 ER PT S AU Reconditi, M Linari, M Lucii, L Stewart, A Sun, YB Narayanan, T Irving, T Piazzesi, G Irving, M Lombardi, V AF Reconditi, M Linari, M Lucii, L Stewart, A Sun, YB Narayanan, T Irving, T Piazzesi, G Irving, M Lombardi, V BE Sideman, S Beyar, R Landesberg, A TI Structure-function relation of the myosin motor in striated muscle SO COMMUNICATIVE CARDIAC CELL SE ANNALS OF THE NEW YORK ACADEMY OF SCIENCES LA English DT Article; Proceedings Paper CT 3rd Larry and Horti Fairberg Cardiac Workshop on Communicative Cardiac Cell CY JAN 15-19, 2005 CL Sintra, PORTUGAL SP Israel Inst Technol, Technion, Portugal Minist Sci & Technol DE myosin motor; striated muscle; working stroke; X-ray diffraction ID FORCE GENERATION; SKELETAL-MUSCLE; WORKING STROKE; CONTRACTING MUSCLE; POWER STROKE; MECHANISM; HEADS; ACTIN; FILAMENTS; EXTENSIBILITY AB Force and shortening in striated muscle are driven by a structural working stroke in the globular portion of the myosin molecules-the myosin head-that cross-links the myosin-containing filaments and the actin-containing filaments. We use time-resolved X-ray diffraction in single fibers from frog skeletal muscle to link the conformational changes in the myosin head determined at atomic resolution in crystallographic studies with the kinetic and mechanical features of the molecular motor in the preserved sarcomeric structure. Our approach exploits the improved brightness and collimation of the X-ray beams of the third generation synchrotrons by using X-ray interference between the two arrays of myosin heads in each bipolar myosin filament to measure with angstrom sensitivity the axial motions of myosin heads in situ during the synchronous execution of the working stroke elicited by rapid decreases in length or load imposed during an active isometric contraction. Changes in the intensity and interference-fine structure of the axial X-ray reflections following the mechanical perturbation allowed to establish the average conformation of the myosin heads during the active isometric contraction and the extent of tilt during the elastic response and during the subsequent working stroke. The myosin working stroke is 12 nm at low loads, which is consistent with crystallographic studies, while it is smaller and slower at higher loads. The load dependence of the size and speed of the myosin working stroke is the molecular determinant of the macroscopic performance and efficiency of muscle. C1 Univ Florence, DBAG, Lab Fisiol, I-50019 Sesto Fiorentino, FI, Italy. Ist Nazl Fis Mat, Operat Grp Grenoble, F-38043 Grenoble, France. Brandeis Univ, Rosentiel Ctr, Waltham, MA 02545 USA. Kings Coll London, Randall Div Cell & Mol Biophys, London SE1 1UL, England. European Synchrotron Radiat Facil, F-38043 Grenoble, France. Argonne Natl Lab, BioCAT Adv Photon Cource, Argonne, IL 60439 USA. RP Lombardi, V (reprint author), Univ Florence, DBAG, Lab Fisiol, Via G Sansone 1, I-50019 Sesto Fiorentino, FI, Italy. EM vincenzo.lombardi@unifi.it RI ID, BioCAT/D-2459-2012; OI Sun, Yin-Biao/0000-0002-4992-8198 FU Telethon [945] NR 26 TC 9 Z9 9 U1 0 U2 7 PU NEW YORK ACAD SCIENCES PI NEW YORK PA 2 EAST 63RD ST, NEW YORK, NY 10021 USA SN 0077-8923 BN 1-57331-547-8 J9 ANN NY ACAD SCI JI Ann.NY Acad.Sci. PY 2005 VL 1047 BP 232 EP 247 DI 10.1196/annals.1341.021 PG 16 WC Cell Biology; Multidisciplinary Sciences SC Cell Biology; Science & Technology - Other Topics GA BCY65 UT WOS:000231874400021 PM 16093500 ER PT J AU Winne, CT Keck, MB AF Winne, CT Keck, MB TI Intraspecific differences in thermal tolerance of the diamondback watersnake (Nerodia rhombifer): effects of ontogeny, latitude, and sex SO COMPARATIVE BIOCHEMISTRY AND PHYSIOLOGY A-MOLECULAR & INTEGRATIVE PHYSIOLOGY LA English DT Article DE age; critical thermal maximum; CTMax; genetic variation; geographic variation; heat tolerance; latitude; natricinae; temperature; thermal physiology ID HEAT-SHOCK-PROTEIN; DROSOPHILA-MELANOGASTER; GEOGRAPHIC-VARIATION; BODY-TEMPERATURE; CNEMIDOPHORUS-SEXLINEATUS; EVOLUTIONARY PHYSIOLOGY; PSEUDACRIS-TRISERIATA; ANOLIS LIZARDS; GARTER SNAKE; EXPRESSION AB Ontogenetic shifts in microhabitat use are widespread among taxa and can result in drastic shifts in thermal habitat among age classes. Likewise, geographic variation in climate along latitudinal gradients can cause differences in thermal environments among populations of a species. Using a common garden design, we examined four populations of a single species of semi-aquatic snake, Nerodia rhombifer, to determine whether ontogenetic shifts in habitat use (and/or body size) and latitudinal differences in ambient temperature have resulted in evolutionary changes in thermal tolerance. We found ontogenetic differences in thermal tolerance for all populations, with neonates tolerating temperatures 2degreesC higher than adults, a pattern that is consistent with ontogenetic shifts in body size and microhabitat use in this species. There were differences in thermal tolerance among latitudes in neonates, suggesting genetic differences among populations, but adults showed no latitudinal differences. In combination, the increased thermal tolerance of neonates and the age-specific response to latitude suggest individuals may be most sensitive to selection on thermal tolerance as neonates. Although latitudinal differences exist in neonates, their tolerances were not ranked according to latitude, suggesting the effects of some other local factor (e.g., microclimate) may be important. Lastly, among neonates, females tolerate higher temperatures than males. Published by Elsevier Inc. C1 Stephen F Austin State Univ, Dept Biol, Nacogdoches, TX 75962 USA. RP Winne, CT (reprint author), Univ Georgia, Savannah River Ecol Lab, Drawer E, Aiken, SC 29802 USA. EM winne@srel.edu NR 64 TC 17 Z9 20 U1 2 U2 21 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1095-6433 J9 COMP BIOCHEM PHYS A JI Comp. Biochem. Physiol. A-Mol. Integr. Physiol. PD JAN PY 2005 VL 140 IS 1 BP 141 EP 149 DI 10.1016/j.cbpb.2004.11.009 PG 9 WC Biochemistry & Molecular Biology; Physiology; Zoology SC Biochemistry & Molecular Biology; Physiology; Zoology GA 896WH UT WOS:000226964400016 PM 15664323 ER PT S AU Blinov, M Briskin, A Yomdin, Y AF Blinov, M Briskin, A Yomdin, Y BE Agranovksy, M Karp, L Shoikhet, D TI Local center conditions for the Abel equation and cyclicity of its zero solution SO Complex Analysis and Dynamical Systems II SE CONTEMPORARY MATHEMATICS SERIES LA English DT Proceedings Paper CT 2nd International Conference on Complex Analysis and Dynamical Systems held in honor of Lawrence Zalcmans 60th Birthday CY JUN 09-12, 2003 CL Nahariya, ISRAEL SP ORT Brauda Coll, Bar Ilan Univ, Univ Potsdam ID MODEL CENTER PROBLEMS; POLYNOMIALS; MOMENTS AB An Abel differential equation y' = p(x)y(2) + q(x)y(3) is said to have a center at a pair of complex numbers (a, b) if y(a) = y(b) for any solution y(x) (with initial value y(a) small enough). Let p, q be polynomials and let P = integral p, Q = integral q. We say P and Q satisfy the "polynomial composition condition" if there exist polynomials P, Q and W such that P(x) = P(W(x)), Q(x) = Q(W(x)), and W(a) = W(b). The main result of this paper is that for a fixed polynomial p (satisfying some minor genericity restrictions) and for a fixed degree d, there exists is an element of(p, d) > 0 such that for any polynomial q of degree d with norm (of q) at most is an element of(p, d), the Abel equation above has a center if and only if the polynomial composition condition is satisfied. Based on this, we also provide an upper bound for the cyclicity of the zero solution of the Abel equation, i.e., for the maximal number of periodic solutions which can appear in a small perturbation of the zero solution. C1 Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM 87545 USA. RP Blinov, M (reprint author), Los Alamos Natl Lab, Theoret Biol & Biophys Grp, POB 1663, Los Alamos, NM 87545 USA. NR 35 TC 6 Z9 6 U1 0 U2 0 PU AMER MATHEMATICAL SOC PI PROVIDENCE PA P.O. BOX 6248, PROVIDENCE, RI 02940 USA SN 0271-4132 BN 0-8218-3709-5 J9 CONTEMP MATH PY 2005 VL 382 BP 65 EP 82 PG 18 WC Mathematics SC Mathematics GA BDB93 UT WOS:000232437100006 ER PT B AU Wong, J AF Wong, J BE Turchi, PEA Gonis, A Rajan, K Meike, A TI Phase distribution and transformation dynamics using in-situ synchrotron diffraction methods SO COMPLEX INORGANIC SOLIDS: STRUCTURAL, STABILITY, AND MAGNETIC PROPERTIES OF ALLOYS LA English DT Proceedings Paper CT 3rd International Alloy Conference (IAC-3) CY JUN 30-JUL 05, 2002 CL Estoril Sol, PORTUGAL SP USA Res Off Phys Div, Mat ResInst, Lawrence Livermore Natl Lab, US Off Naval Res Mar Div, United Engn Fdn ID X-RAY-DIFFRACTION; HEAT-AFFECTED ZONE; FUSION WELDS; ARC WELDS; RADIATION; EVOLUTION; TI C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Wong, J (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM wong10@llnl.gov NR 21 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 0-387-24811-0 PY 2005 BP 203 EP 213 DI 10.1007/0-387-25953-8_16 PG 11 WC Metallurgy & Metallurgical Engineering; Materials Science, Characterization & Testing SC Metallurgy & Metallurgical Engineering; Materials Science GA BCQ53 UT WOS:000230778500016 ER PT B AU Gonis, A Turchi, PEA AF Gonis, A Turchi, PEA BE Turchi, PEA Gonis, A Rajan, K Meike, A TI On the development of alloy theory SO Complex Inorganic Solids: Structural, Stability, and Magnetic Properties of Alloys LA English DT Proceedings Paper CT 3rd International Alloy Conference (IAC-3) CY JUN 30-JUL 05, 2002 CL Estoril Sol, PORTUGAL SP USA Res Off Phys Div, Mat ResInst, Lawrence Livermore Natl Lab, US Off Naval Res Mar Div, United Engn Fdn ID CRYSTALS; SYSTEMS AB A number of conditions are presented for assessing the integrity and viability of a theoretical construct in the physical science in general, and in the realm of alloy physics in particular. These conditions are obtained from mathematical, logical, and experimental requirements, and are discussed in connection with a number of formal schemes currently in use for understanding and interpreting alloy phenomena. Both older methodologies and more recent attempts at the construction of a satisfactory theory of alloys are considered. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Gonis, A (reprint author), Lawrence Livermore Natl Lab, POB 808,L-371, Livermore, CA 94551 USA. NR 16 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 0-387-24811-0 PY 2005 BP 379 EP 399 DI 10.1007/0-387-25953-8_28 PG 21 WC Metallurgy & Metallurgical Engineering; Materials Science, Characterization & Testing SC Metallurgy & Metallurgical Engineering; Materials Science GA BCQ53 UT WOS:000230778500028 ER PT J AU Martin, JE AF Martin, JE TI Using triaxial magnetic fields to create optimal particle composites SO COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING LA English DT Article; Proceedings Paper CT Spring Meeting of the European-Materials-Research-Society CY MAY 24-28, 2004 CL Strasbourg, FRANCE SP European Mat Res Soc DE triaxial magnetic fields ID STRUCTURED COMPOSITES AB The properties of a particle composite can be controlled by organizing the particles into assemblies. The properties of the composite will depend on the structure of the particle assemblies, and for any give property there is some optimal structure. Through simulation and experiment we show that the application of heterodyned triaxial magnetic or electric fields generates structures that optimize the magnetic and dielectric properties of particle composites. We suggest that optimizing these properties optimizes other properties, such as transport properties, and we give as one example of this optimization the magnetostriction of magnetic particle composites formed in a silicone elastomer. (c) 2005 Elsevier Ltd. All rights reserved. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Martin, JE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM jmartin@sandia.gov NR 6 TC 10 Z9 11 U1 0 U2 3 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1359-835X J9 COMPOS PART A-APPL S JI Compos. Pt. A-Appl. Sci. Manuf. PY 2005 VL 36 IS 4 BP 545 EP 548 DI 10.1016/j.compositesa.2004.10.020 PG 4 WC Engineering, Manufacturing; Materials Science, Composites SC Engineering; Materials Science GA 908JK UT WOS:000227783100019 ER PT J AU Ice, GE Barabash, RI Walker, FJ AF Ice, GE Barabash, RI Walker, FJ TI Characterization of nano and meso scale deformation structures with intense X-ray synchrotron sources SO COMPOSITES PART B-ENGINEERING LA English DT Article DE plastic deformation; defects; non-destructive testing; joints/joining; analytical modeling AB Advanced polychromatic microdiffraction is sensitive to the organization of dislocations and other defects that rotate the lattice planes. Using ultra-brilliant third-generation synchrotron sources and non-dispersive X-ray focusing optics, it is now possible to analyze individual dislocation cells and walls at a submicron scale that cannot be probed by traditional methods. The method is applied to an Ir weld sample to illustrate how microdiffraction can be used to determine the locally active dislocation system. (c) 2005 Elsevier Ltd. All rights reserved. C1 Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. RP Barabash, RI (reprint author), Oak Ridge Natl Lab, Div Met & Ceram, POB 2008, Oak Ridge, TN 37831 USA. EM barabashr@ornl.gov OI Walker, Frederick/0000-0002-8094-249X NR 17 TC 7 Z9 7 U1 0 U2 5 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1359-8368 J9 COMPOS PART B-ENG JI Compos. Pt. B-Eng. PY 2005 VL 36 IS 3 BP 271 EP 277 DI 10.1016/j.compositesb.2004.10.001 PG 7 WC Engineering, Multidisciplinary; Materials Science, Composites SC Engineering; Materials Science GA 928UX UT WOS:000229298300009 ER PT J AU Brown, EN Davis, AK Jonnalagadda, KD Sottos, NR AF Brown, EN Davis, AK Jonnalagadda, KD Sottos, NR TI Effect of surface treatment on the hydrolytic stability of E-glass fiber bundle tensile strength SO COMPOSITES SCIENCE AND TECHNOLOGY LA English DT Article DE glass fibers; coating; failure criterion; acoustic emission; Weibull distribution ID COMPOSITE-MATERIALS; ACOUSTIC-EMISSION; WEIBULL DISTRIBUTION; STRAND; EPOXY; PARAMETERS; ADHESION; BEHAVIOR; FIBRES; RESIN AB The tensile strength of glass fiber bundles is highly dependent on flaw nucleation and growth from contact abrasion and hydrolytic degradation. The effect of fiber surface treatment on the hydrolytic stability of tensile strength is investigated for E-glass fiber bundles with four commercial sizings. Acoustic emission (AE) generated by individual fiber fracture events provides a means to determine a Weibull distribution of fiber strengths. Fiber bundles with starch, starch and silane, starch and wax, and epoxy surface treatments are tested following exposure to 10%, 40%, 80% relative humidity and immersion in water. The tensile break strength, number of breaks at peak load, and Weibull moduli of the glass fiber bundles are strongly dependent on the humidity level. The different surface treatments considered in this investigation strongly alter the absolute mechanical properties and the effect of exposure to humidity. (C) 2004 Elsevier Ltd. All rights reserved. C1 Univ Illinois, Talbot Lab 216, Dept Theoret & Appl Mech, Urbana, IL 61801 USA. RP Brown, EN (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, MS-E544, Los Alamos, NM 87544 USA. EM en_brown@lanl.gov OI Brown, Eric/0000-0002-6812-7820 NR 31 TC 28 Z9 32 U1 3 U2 14 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0266-3538 J9 COMPOS SCI TECHNOL JI Compos. Sci. Technol. PD JAN PY 2005 VL 65 IS 1 BP 129 EP 136 DI 10.1016/j.compscitech.2004.07.001 PG 8 WC Materials Science, Composites SC Materials Science GA 872YT UT WOS:000225246100013 ER PT S AU Dubon, OD Scarpulla, MA Yu, KM Walukiewicz, W AF Dubon, OD Scarpulla, MA Yu, KM Walukiewicz, W BE Woo, JC Hasegawa, H Kwon, YS Yao, T Yoo, KH TI Diluted semiconductors formed from energetic beams SO COMPOUND SEMICONDUCTORS 2004, PROCEEDINGS SE INSTITUTE OF PHYSICS CONFERENCE SERIES LA English DT Article; Proceedings Paper CT 31st International Symposium on Compound Semiconductors CY SEP 12-16, 2004 CL Seoul Natl Univ, Hoam Convent Ctr, Seoul, SOUTH KOREA HO Seoul Natl Univ, Hoam Convent Ctr ID ION-IMPLANTATION AB The recent emergence of semiconductors alloys whose fundamental properties are controlled through relatively small compositional changes has opened opportunities for the use of alternative synthesis routes beyond advanced thin-film growth techniques. We present a remarkably simple approach for the synthesis of diluted semiconductors using a combination of ion implantation to introduce the alloying species into a semiconductor host and pulsed-laser melting to regrow the implant-damaged layer into a single-crystalline film. By this process we have formed Ga1-xMnxAs epitaxial films that exhibit ferromagnetic Curie temperatures above 130 K. Manganese ion implantation and pulsed-laser melting have been combined to form other ferromagnetic semiconductors including Ga1-xMnxP. The availability of a wide range of ions for implantation into numerous semiconductors has enabled us to realize other novel materials including the highly mismatched alloys GaNxAs1-x and ZnOxTe1-x. C1 Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Dubon, OD (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RI Scarpulla, Michael/C-7941-2009; Yu, Kin Man/J-1399-2012; OI Yu, Kin Man/0000-0003-1350-9642; Scarpulla, Michael/0000-0002-6084-6839 NR 11 TC 2 Z9 2 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0951-3248 BN 0-7503-1017-0 J9 INST PHYS CONF SER PY 2005 VL 184 BP 399 EP 404 PG 6 WC Materials Science, Ceramics; Physics, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA BCL58 UT WOS:000229928100087 ER PT S AU Colby, E Ivanov, V Li, Z Limborg, C AF Colby, E Ivanov, V Li, Z Limborg, C BE Berz, M Makino, K TI Simulation issues for RF photoinjectors SO COMPUTATIONAL ACCELERATOR PHYSICS 2002 SE INSTITUTE OF PHYSICS CONFERENCE SERIES LA English DT Article; Proceedings Paper CT 7th International Conference on Computational Accelerator Physics CY OCT 15-18, 2002 CL Michigan State Univ, E Lansing, MI SP US DOE, Tech-X Accel HO Michigan State Univ AB Accurate simulation of radiofrequency photoinjector performance remains a challenge in predicting the performance of future linear colliders and next-generation light sources. Calculated performance consistently and significantly exceeds measured performance. This discrepancy can be traced to two principal sources: measurement uncertainty and unrealistic assumptions and approximations made in the numerical calculations. The dynamics involved make the calculation challenging: electrons are accelerated from rest to relativistic velocities in millimeters. Strong wakefield and space charge effects require that fields be accurately represented on very small distance scales over large volumes. These issues will be discussed, the results of detailed code-to-code comparisons for tracking and particle-in-cell codes will be shown, and recommendations for further tests and improvements will be made. C1 Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. RP Colby, E (reprint author), Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. NR 10 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0951-3248 BN 0-7503-0939-3 J9 INST PHYS CONF SER PY 2005 VL 175 BP 47 EP 56 PG 10 WC Instruments & Instrumentation; Physics, Multidisciplinary; Physics, Particles & Fields SC Instruments & Instrumentation; Physics GA BBT78 UT WOS:000227728500005 ER PT S AU Elvira, VD Lebrun, P Spentzouris, P AF Elvira, VD Lebrun, P Spentzouris, P BE Berz, M Makino, K TI Beam simulation tools for GEANT4 (and neutrino source applications) SO COMPUTATIONAL ACCELERATOR PHYSICS 2002 SE INSTITUTE OF PHYSICS CONFERENCE SERIES LA English DT Article; Proceedings Paper CT 7th International Conference on Computational Accelerator Physics CY OCT 15-18, 2002 CL Michigan State Univ, E Lansing, MI SP US DOE, Tech-X Accel HO Michigan State Univ AB Geant4 is a tool kit developed by a collaboration of physicists and computer professionals in the High Energy Physics field for simulation of the passage of particles through matter. The motivation for the development of the Beam Tools is to extend the Geant4 applications to accelerator physics. Although there are many computer programs for beam physics simulations, Geant4 is ideal for modelling a beam going through material or a, system with a beam line integrated into a, complex detector. There are many examples in the current international High Energy Physics programs, such as studies related to a future Neutrino Factory, a Linear Collider, and a very Large Hadron Collider. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60555 USA. RP Elvira, VD (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60555 USA. EM daniel@fnal.gov NR 6 TC 0 Z9 0 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0951-3248 BN 0-7503-0939-3 J9 INST PHYS CONF SER PY 2005 VL 175 BP 73 EP 82 PG 10 WC Instruments & Instrumentation; Physics, Multidisciplinary; Physics, Particles & Fields SC Instruments & Instrumentation; Physics GA BBT78 UT WOS:000227728500008 ER PT S AU Garnett, RW AF Garnett, RW BE Berz, M Makino, K TI Status of the Los Alamos Accelerator Code Group SO COMPUTATIONAL ACCELERATOR PHYSICS 2002 SE INSTITUTE OF PHYSICS CONFERENCE SERIES LA English DT Article; Proceedings Paper CT 7th International Conference on Computational Accelerator Physics CY OCT 15-18, 2002 CL Michigan State Univ, E Lansing, MI SP US DOE, Tech-X Accel HO Michigan State Univ AB Since 1986, the Los Alamos Accelerator Code Group (LAACG) has received funding from the U.S. Department of Energy. The LAACG is a national resource for members of the accelerator community who use and/or develop software for the design and analysis of particle accelerators, and beam transport systems. We distribute accelerator design and simulation codes such as the POISSON/SUPERFISH group of codes, PARMELA, PARMILA, TRACE 3-D, and others via the world-wide web, and maintain an online compendium of accelerator codes at http://laacgi.lani.gov/laacg/componl.html. We presently have over 1300 registered users world-wide using our codes and accessing our website. All update of recent LAACG activities and projects for the upcoming year will be discussed. This work is supported by the U. S. Department of Energy Office of Science, Division of High Energy Physics. C1 Los Alamos Natl Lab, Los Alamos, NM USA. RP Garnett, RW (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM USA. NR 10 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0951-3248 BN 0-7503-0939-3 J9 INST PHYS CONF SER PY 2005 VL 175 BP 91 EP 100 PG 10 WC Instruments & Instrumentation; Physics, Multidisciplinary; Physics, Particles & Fields SC Instruments & Instrumentation; Physics GA BBT78 UT WOS:000227728500010 ER PT S AU Kabel, AC AF Kabel, AC BE Berz, M Makino, K TI Parallel simulation algorithms for the three-dimensional strong-strong beam-beam interaction SO COMPUTATIONAL ACCELERATOR PHYSICS 2002 SE INSTITUTE OF PHYSICS CONFERENCE SERIES LA English DT Article; Proceedings Paper CT 7th International Conference on Computational Accelerator Physics CY OCT 15-18, 2002 CL Michigan State Univ, E Lansing, MI SP US DOE, Tech-X Accel HO Michigan State Univ AB Adding a third dimension to the simulation of the strong-strong beam-beam effect can, by mechanisms such as the hourglass effect and phase averaging, significantly change the results of the simulations. However, CPU requirements for such simulations are beyond the reach of single-processor machines. We discuss a set of parallel algorithms for the treatment of the problem, based on particle-mesh methods and rapid elliptic solvers. Particle tracking, particle-mesh deposition, and field calculation are three tasks which have to be parallelized; they have competing requirements for localization of the tasks on the parallel machines. We discuss different possible parallelization schemes. We present a code based on spatial domain decomposition in the longitudinal direction, which shows good scaling behavior for the case of storage rings with small synchrotron tunes. C1 Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. RP Kabel, AC (reprint author), Stanford Linear Accelerator Ctr, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. EM andreas.kabel@slac.stanford.edu NR 5 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0951-3248 BN 0-7503-0939-3 J9 INST PHYS CONF SER PY 2005 VL 175 BP 131 EP 141 PG 11 WC Instruments & Instrumentation; Physics, Multidisciplinary; Physics, Particles & Fields SC Instruments & Instrumentation; Physics GA BBT78 UT WOS:000227728500014 ER PT S AU Kabel, AC Cai, Y AF Kabel, AC Cai, Y BE Berz, M Makino, K TI A parallel code for lifetime simulations in hadron storage rings in the presence of parasitic beam-beam interactions SO COMPUTATIONAL ACCELERATOR PHYSICS 2002 SE INSTITUTE OF PHYSICS CONFERENCE SERIES LA English DT Article; Proceedings Paper CT 7th International Conference on Computational Accelerator Physics CY OCT 15-18, 2002 CL Michigan State Univ, E Lansing, MI SP US DOE, Tech-X Accel HO Michigan State Univ ID COMPLEX ERROR FUNCTION; COMPUTATION AB When two beams of charged particles share the same beam pipe, traveling in opposite directions, nonlinear forces are introduced due to the presence of beam-beam forces. These forces may excite incoherent resonances, eventually leading to particle loss and thus to a finite beam lifetime. Beam-beam interaction will Occur as head-on collisions in the designated interaction points of the machine as well as as parasitic crossings along the circumference of the machine. In the case of protons, damping mechanisms are absent; this can lead to very long time scales for the dynamics of this system. We developed a code which models a proton/anti proton storage ring as a sequence of symplectic transformations due to the lattice and momentum kicks due to weak-strong beam-beam interaction. The relevant information for the setup is extracted from a MAD description file of the machine and translated to speed-optimized C++ code. By distributing test particles among computers running in parallel, we are able to track them for a relatively long time: On a 64-processor cluster, and for a storage ring with 100 parasitic crossings, we are able to calculate beam lifetimes in the range of several hours. We present typical results and discuss possible applications. C1 Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. RP Kabel, AC (reprint author), Stanford Linear Accelerator Ctr, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. EM andreas.kabel@slac.stanford.edu NR 4 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0951-3248 BN 0-7503-0939-3 J9 INST PHYS CONF SER PY 2005 VL 175 BP 143 EP 149 PG 7 WC Instruments & Instrumentation; Physics, Multidisciplinary; Physics, Particles & Fields SC Instruments & Instrumentation; Physics GA BBT78 UT WOS:000227728500015 ER PT S AU Liu, WM Jing, CG Gai, W AF Liu, WM Jing, CG Gai, W BE Berz, M Makino, K TI Study of RF coupling to dielectric loaded accelerating structures SO COMPUTATIONAL ACCELERATOR PHYSICS 2002 SE INSTITUTE OF PHYSICS CONFERENCE SERIES LA English DT Article; Proceedings Paper CT 7th International Conference on Computational Accelerator Physics CY OCT 15-18, 2002 CL Michigan State Univ, E Lansing, MI SP US DOE, Tech-X Accel HO Michigan State Univ AB A new method of coupling rf to an X-band dielectric loaded accelerating structure is described here. In common with a technique developed earlier [1] we taper the dielectric to obtain efficient coupling, but we also incorporate a mode conversion section that results in compactness, flexibility and improved resistance to breakdown at high power. Numerical results demonstrate that enhanced microwave transmission can be achieved with a shorter dielectric taper section. The dielectric taper can also be modified without redesign of the metal structure hosting the tapered section, resulting in time and cost savings during the development cycle. C1 Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA. RP Liu, WM (reprint author), Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA. NR 12 TC 2 Z9 2 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0951-3248 BN 0-7503-0939-3 J9 INST PHYS CONF SER PY 2005 VL 175 BP 181 EP 184 PG 4 WC Instruments & Instrumentation; Physics, Multidisciplinary; Physics, Particles & Fields SC Instruments & Instrumentation; Physics GA BBT78 UT WOS:000227728500019 ER PT S AU Luccio, AU D'Imperio, NL AF Luccio, AU D'Imperio, NL BE Berz, M Makino, K TI Aspects of parallel simulation of high intensity beams in hadron rings SO COMPUTATIONAL ACCELERATOR PHYSICS 2002 SE INSTITUTE OF PHYSICS CONFERENCE SERIES LA English DT Article; Proceedings Paper CT 7th International Conference on Computational Accelerator Physics CY OCT 15-18, 2002 CL Michigan State Univ, E Lansing, MI SP US DOE, Tech-X Accel HO Michigan State Univ AB A PIC code to simulate high intensity beams in hadron circular accelerators, BNL-Orbit, has been implemented on parallel computers already in 1999. The issues of 3-dimensional tracking for long bunchcs of high energy hadrons and the relevant approximations are discussed, as well as solvers for the space charge problem in the presence of walls. C1 Brookhaven Natl Lab, C AD Dept, Upton, NY 11973 USA. RP Luccio, AU (reprint author), Brookhaven Natl Lab, C AD Dept, Upton, NY 11973 USA. EM luccio@bnl.gov NR 6 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0951-3248 BN 0-7503-0939-3 J9 INST PHYS CONF SER PY 2005 VL 175 BP 193 EP 201 PG 9 WC Instruments & Instrumentation; Physics, Multidisciplinary; Physics, Particles & Fields SC Instruments & Instrumentation; Physics GA BBT78 UT WOS:000227728500021 ER PT S AU Lysenko, WP Garnett, RW Gilpatrick, JD Qiang, J Rybarcyk, LJ Ryne, RD Schneider, JD Smith, HV Young, LM Schulze, ME AF Lysenko, WP Garnett, RW Gilpatrick, JD Qiang, J Rybarcyk, LJ Ryne, RD Schneider, JD Smith, HV Young, LM Schulze, ME BE Berz, M Makino, K TI High-order beam features and fitting quadrupole-scan data to particle-code models SO COMPUTATIONAL ACCELERATOR PHYSICS 2002 SE INSTITUTE OF PHYSICS CONFERENCE SERIES LA English DT Article; Proceedings Paper CT 7th International Conference on Computational Accelerator Physics CY OCT 15-18, 2002 CL Michigan State Univ, E Lansing, MI SP US DOE, Tech-X Accel HO Michigan State Univ AB Quadrupole scans in the HEBT of the 6.7 MeV LEDA RFQ were analyzed to characterize the RFQ Output beam. In previous work, profiles measured by the wire scanner were fit to models (beam parameterizations and HEBT simulations) to determine the transverse Courant-Snyder parameters alpha, beta, and epsilon at the RFQ exit. Unfortunately, at the larger quadrupole settings, the measured profiles showed features that were not present in any of our simulations. Here we describe Our latest analysis, which resulted in very good fits by using an improved model for the RFQ output beam. The model beam was generated by the RFQ simulation code TOUTATIS. In our fitting code, this beam was distorted by linear transformations that changed the Courant-Snyder parameters to whatever values were required by the nonlinear optimizer while preserving the high-order features of the phase-space distribution. No new physics in the HEBT was required to explain Our quad-scan results, just an improved initial beam. High-order features in the RFQ Output beam apparently make a significant difference ill behavior downstream of the RFQ. While this result gives us increased confidence in our codes, we still have a mystery: exactly what high-order features in the beam are responsible for the the strange behavior downstream. Understanding this phenomenon may be helpful to understanding our halo-experiment data. We have begun to study this by comparing higher-order moments of the TOUTATIs distribution with other distributions. C1 LANL, Los Alamos, NM 87545 USA. RP Lysenko, WP (reprint author), LANL, Los Alamos, NM 87545 USA. EM wpl@lanl.gov NR 8 TC 0 Z9 0 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0951-3248 BN 0-7503-0939-3 J9 INST PHYS CONF SER PY 2005 VL 175 BP 203 EP 210 PG 8 WC Instruments & Instrumentation; Physics, Multidisciplinary; Physics, Particles & Fields SC Instruments & Instrumentation; Physics GA BBT78 UT WOS:000227728500022 ER PT S AU Nelson, EM Petillo, JJ AF Nelson, EM Petillo, JJ BE Berz, M Makino, K TI Tracking particles in axisymmetric MICHELLE models SO COMPUTATIONAL ACCELERATOR PHYSICS 2002 SE INSTITUTE OF PHYSICS CONFERENCE SERIES LA English DT Article; Proceedings Paper CT 7th International Conference on Computational Accelerator Physics CY OCT 15-18, 2002 CL Michigan State Univ, E Lansing, MI SP US DOE, Tech-X Accel HO Michigan State Univ AB A novel particle tracker for 3d unstructured grids has been developed and employed in the finite element gun code MICHELLE. The particle tracker has now been extended to handle 2d planar and axisymmetric models. The unstructured 2d grids may contain triangle and/or quadrilateral elements and the element shapes may be linear, quadratic or cubic. In this paper we describe the particle tracking algorithm for axisymmetric models. The 2d algorithm is similar to the 3d algorithm. A particle's position is computed in the enclosing element's local coordinate system, and the particle's momentum is computed in the global coordinate basis. For axisymmetric models we also integrate the angular velocity to obtain the azimuthal angle. We continue to use the cartesian basis for the momentum; we do not compute the momentum in the cylindrical coordinate basis. This provides for acceptable behavior near the axis without ally exceptional treatment, but there is the cost of an additional two or three coordinate transformations in the equations of motion. We also demonstrate the importance of scaling the azimuthal step size with the relative spatial step size when one wants to efficiently improve the accuracy of the particle tracker. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Nelson, EM (reprint author), Los Alamos Natl Lab, MS B259, Los Alamos, NM 87545 USA. EM enelson@lanl.gov NR 6 TC 0 Z9 0 U1 1 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0951-3248 BN 0-7503-0939-3 J9 INST PHYS CONF SER PY 2005 VL 175 BP 235 EP 240 PG 6 WC Instruments & Instrumentation; Physics, Multidisciplinary; Physics, Particles & Fields SC Instruments & Instrumentation; Physics GA BBT78 UT WOS:000227728500026 ER PT S AU Neuffer, D AF Neuffer, D BE Berz, M Makino, K TI Beam dynamics problems of the muon collaboration: v-factories and mu(+)-mu(-) colliders SO COMPUTATIONAL ACCELERATOR PHYSICS 2002 SE INSTITUTE OF PHYSICS CONFERENCE SERIES LA English DT Article; Proceedings Paper CT 7th International Conference on Computational Accelerator Physics CY OCT 15-18, 2002 CL Michigan State Univ, E Lansing, MI SP US DOE, Tech-X Accel HO Michigan State Univ AB We present some of the outstanding beam dynamics problems that are being explored by the muon collaboration, which is studying potential uses of cooled muons in neutrino factories and muon colliders. These problems include the search for more efficient moon capture and cooling methods, improved acceleration options, and more affordable neutrino factory scenarios. Recent progress in ring coolers enables longitudinal cooling and may extend cooling performance to the level needed for mu(+)-mu(-) colliders. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Neuffer, D (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. NR 27 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0951-3248 BN 0-7503-0939-3 J9 INST PHYS CONF SER PY 2005 VL 175 BP 241 EP 248 PG 8 WC Instruments & Instrumentation; Physics, Multidisciplinary; Physics, Particles & Fields SC Instruments & Instrumentation; Physics GA BBT78 UT WOS:000227728500027 ER PT S AU Novokhatski, A Seeman, J AF Novokhatski, A Seeman, J BE Berz, M Makino, K TI Simulation of electron cloud multipacting in solenoidal magnetic field SO COMPUTATIONAL ACCELERATOR PHYSICS 2002 SE INSTITUTE OF PHYSICS CONFERENCE SERIES LA English DT Article; Proceedings Paper CT 7th International Conference on Computational Accelerator Physics CY OCT 15-18, 2002 CL Michigan State Univ, E Lansing, MI SP US DOE, Tech-X Accel HO Michigan State Univ AB A simulation algorithm is based on a numerical solution of the Vlasov equation for the distribution function of electron cloud density in a cylinderical vacuum chamber with solenoidal magnetic field. Algorithm takes into consideration space charge effects. This approach considerably improves the simulation of multipacting effects thanks to a better approximation of the secondary emission mechanism. Simulation studies were carried for the SLAC B-factory vacuum chamber for different bunch patterns and solenoidal field. Space charge and the magnetic field limit the maximum density of the electron cloud. Magnetic resonant damping of multipacting was found in special cases of positron beam parameters and magnetic field amplitude. C1 Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. RP Novokhatski, A (reprint author), Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. EM novo@slac.stanford.edu NR 5 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0951-3248 BN 0-7503-0939-3 J9 INST PHYS CONF SER PY 2005 VL 175 BP 249 EP 258 PG 10 WC Instruments & Instrumentation; Physics, Multidisciplinary; Physics, Particles & Fields SC Instruments & Instrumentation; Physics GA BBT78 UT WOS:000227728500028 ER PT S AU Novokhatski, A Weathersby, S AF Novokhatski, A Weathersby, S BE Berz, M Makino, K TI RF heating in the PEP-II B-factory vertex bellows SO COMPUTATIONAL ACCELERATOR PHYSICS 2002 SE INSTITUTE OF PHYSICS CONFERENCE SERIES LA English DT Article; Proceedings Paper CT 7th International Conference on Computational Accelerator Physics CY OCT 15-18, 2002 CL Michigan State Univ, E Lansing, MI SP US DOE, Tech-X Accel HO Michigan State Univ AB A study of RF modes is carried out for the complicated geometry of the shielded vertex bellows near the IP region of the PEP-II B-factory. Calculations indicate several monopole, dipole and quadrupole modes can exist in the bellows structure near the experimentally observed frequency region of 5 GHz. The observed modes are correlated to the bellows heating and are excited by both electron and positron beams. These modes can heat the bellows by coupling through the RF shield fingers. C1 Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. RP Novokhatski, A (reprint author), Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. NR 5 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0951-3248 BN 0-7503-0939-3 J9 INST PHYS CONF SER PY 2005 VL 175 BP 259 EP 272 PG 14 WC Instruments & Instrumentation; Physics, Multidisciplinary; Physics, Particles & Fields SC Instruments & Instrumentation; Physics GA BBT78 UT WOS:000227728500029 ER PT S AU Shishlo, A Danilov, V Holmes, J Cousineau, S Galambos, J Henderson, S AF Shishlo, A Danilov, V Holmes, J Cousineau, S Galambos, J Henderson, S BE Berz, M Makino, K TI ORBIT: Parallel implementation of beam dynamics calculations SO COMPUTATIONAL ACCELERATOR PHYSICS 2002 SE INSTITUTE OF PHYSICS CONFERENCE SERIES LA English DT Article; Proceedings Paper CT 7th International Conference on Computational Accelerator Physics CY OCT 15-18, 2002 CL Michigan State Univ, E Lansing, MI SP US DOE, Tech-X Accel HO Michigan State Univ AB The parallel implementation of the ORBIT code is discussed. This implementation includes algorithms for two and three-dimensional (3DSC) space charge calculations, transverse and longitudinal impedances, a parallel diagnostics module to calculate beam characteristics, and a transverse feedback module. The 3DSC parallel algorithm, and its timing and scaling with problem size and number of processors are described in detail. C1 ORNL, SNS Project, Oak Ridge, TN USA. RP Shishlo, A (reprint author), ORNL, SNS Project, Oak Ridge, TN USA. NR 8 TC 0 Z9 0 U1 1 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0951-3248 BN 0-7503-0939-3 J9 INST PHYS CONF SER PY 2005 VL 175 BP 307 EP 314 PG 8 WC Instruments & Instrumentation; Physics, Multidisciplinary; Physics, Particles & Fields SC Instruments & Instrumentation; Physics GA BBT78 UT WOS:000227728500034 ER PT S AU Spentzouris, P Amundson, J Lackey, J Spentzouris, L Tomlin, R AF Spentzouris, P Amundson, J Lackey, J Spentzouris, L Tomlin, R BE Berz, M Makino, K TI Space charge studies and comparison with simulations using the FNAL Booster SO COMPUTATIONAL ACCELERATOR PHYSICS 2002 SE INSTITUTE OF PHYSICS CONFERENCE SERIES LA English DT Article; Proceedings Paper CT 7th International Conference on Computational Accelerator Physics CY OCT 15-18, 2002 CL Michigan State Univ, E Lansing, MI SP US DOE, Tech-X Accel HO Michigan State Univ AB We present measurements of transverse and longitudinal beam phase space evolution during the first thirty turns of the FNAL Booster. We discuss the experimental techinque, which allowed us to obtain turn-by-turn measurements of the beam profile. We then compare our results with the prediction of the Synergia 3D space charge simulation code. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Spentzouris, P (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM spentz@fnal.gov NR 5 TC 0 Z9 0 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0951-3248 BN 0-7503-0939-3 J9 INST PHYS CONF SER PY 2005 VL 175 BP 325 EP 331 PG 7 WC Instruments & Instrumentation; Physics, Multidisciplinary; Physics, Particles & Fields SC Instruments & Instrumentation; Physics GA BBT78 UT WOS:000227728500036 ER PT S AU Vay, JL Friedman, A Grote, DP AF Vay, JL Friedman, A Grote, DP BE Berz, M Makino, K TI Progress in the study of mesh refinement for particle-in-cell plasma simulations and its application to heavy ion fusion SO COMPUTATIONAL ACCELERATOR PHYSICS 2002 SE INSTITUTE OF PHYSICS CONFERENCE SERIES LA English DT Article; Proceedings Paper CT 7th International Conference on Computational Accelerator Physics CY OCT 15-18, 2002 CL Michigan State Univ, E Lansing, MI SP US DOE, Tech-X Accel HO Michigan State Univ AB The numerical simulation of the driving beams in a heavy ion fusion power plant is a challenging task, and, despite rapid progress in computer power, one must consider the use of the most advanced numerical techniques. One of the difficulties of these simulations resides in the disparity of scales in time and in space which must be resolved. When these disparities are in distinctive zones of the simulation region, a method which has proven to be effective in other areas (e.g. fluid dynamics simulations) is the Adaptive-Mesh-Refinement (AMR) technique. We follow in this article the progress accomplished in the last few months in the merging of the AMR technique with Particle-In-Cell (PIC) method. This includes a detailed modeling of the Lampel-Tiefenback solution for the one-dimensional diode using novel techniques to suppress undesirable numerical oscillations and an AMR patch to follow the head of the particle distribution. We also report new results concerning the modeling of ion sources using the axisymmetric WARPRZ-AMR prototype showing the utility of an AMR patch resolving the emitter vicinity and the beam edge. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Vay, JL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. NR 3 TC 1 Z9 1 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0951-3248 BN 0-7503-0939-3 J9 INST PHYS CONF SER PY 2005 VL 175 BP 333 EP 341 PG 9 WC Instruments & Instrumentation; Physics, Multidisciplinary; Physics, Particles & Fields SC Instruments & Instrumentation; Physics GA BBT78 UT WOS:000227728500037 ER PT S AU Urzhumtsev, A Lunina, N Afonine, P Lunin, VY AF Urzhumtsev, A Lunina, N Afonine, P Lunin, VY BE Berthold, MR Glen, R Diederichs, K Kohlbacher, O Fischer, I TI Some applications of dummy point scatterers for phasing in macromolecular X-ray crystallography SO COMPUTATIONAL LIFE SCIENCES, PROCEEDINGS SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Article; Proceedings Paper CT 1st International Symposium on Computational Life Sciences CY SEP 25-27, 2005 CL Konstanz, GERMANY SP Univ Gesell, Konstanzee V, ALTANA, Pharma AG, Boehringer Ingellheim, Tripos, BioLAGO ID CHARGE-DENSITY REFINEMENT; VERY-LOW RESOLUTION; AB-INITIO SOLUTION; ELECTRON-DENSITY; PROTEIN CRYSTALLOGRAPHY; CRYSTAL-STRUCTURE; MODEL; DISTRIBUTIONS; IMPROVEMENT; LIKELIHOOD AB The purpose of the X-ray macromolecular crystallography is to determine the electron density distribution rho(r) of the crystal and interpret it by atoms. rho(r) may be calculated by a Fourier series with complex coefficients. Their magnitudes are available from X-ray-diffraction experiment, however an accurate calculation of rho(r) is often impossible due to absence of estimates for corresponding arguments (phases) or their insufficient accuracy. To define or improve the phase estimates a model composed from 'dummy' scatterers may be used. The number and size of these scatterers depend on problem. At a conventional resolution the scatterers similar to carbon atoms are used for phase improvement. When phase information is not available models composed from a small number of large scatterers presenting whole molecular domains may be used. In another extreme case, at a subatomic resolution, scatterers presenting partial atomic charges may be used to model the density deformation. C1 Univ Nancy 1, Dept Phys, F-54506 Vandoeuvre Les Nancy, France. Russian Acad Sci, Inst Math Problems Biol, Pushchino 142290, Russia. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Urzhumtsev, A (reprint author), Univ Nancy 1, Dept Phys, F-54506 Vandoeuvre Les Nancy, France. EM Alexander.Ourjoumtsev@stmp.uhp-nancy.fr; Lunina@impb.psn.ru; PAfonine@lbl.gov; Lunin@impb.psn.ru RI Lunin, Vladimir/O-2506-2013; Lunina, Natalia/O-2526-2013 OI Lunin, Vladimir/0000-0003-1235-1206; Lunina, Natalia/0000-0002-0053-4403 NR 38 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-29104-0 J9 LECT NOTES COMPUT SC PY 2005 VL 3695 BP 35 EP 45 PG 11 WC Biochemical Research Methods; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Biochemistry & Molecular Biology; Computer Science GA BDF94 UT WOS:000233331500004 ER PT J AU Degueldre, C Conradson, S Hoffelner, W AF Degueldre, C Conradson, S Hoffelner, W TI Characterisation of oxide dispersion-strengthened steel by extended X-ray absorption spectroscopy for its use under irradiation SO COMPUTATIONAL MATERIALS SCIENCE LA English DT Article; Proceedings Paper CT Spring Meeting of the European-Materials-Research-Society CY MAY 24-28, 2004 CL Strasbourg, FRANCE SP European Mat Res Soc ID YTTRIUM-OXIDE; Y2O3; ZIRCONIA; FILMS AB An oxide dispersion-strengthened (ODS) steel (Fe, Cr, Al) has been investigated by extended X-ray absorption fine structure (EXAFS) spectroscopy with respect to the dispersoids. To assess the response of this material to irradiation calculations with the code stopping and range of ion into matter (SRIM) were also performed. The samples were investigated in the as received condition. Scanning Electron Microscopy (SEM) observations show that the material is homogeneous apart from (Ti,Al)-rich precipitates. Transmission electron microscopy (TEM) investigations show the yttria nano-particles still well crystallised even after the mechanical and thermal treatments for the ODS preparation. The size of the yttria (Y2O3) nano-particles was in the range of 15-70 nm, finely dispersed in the ferritic matrix. The yttria nano-particles present a Y absorption edge that can be used to analyse the atomic environment of Y. In fact the EXAFS analysis shows that the yttria particle structure resembles monoclinic. The paper discusses the atomic environment of Y assuming potential transformation cubic monoclinic during thermal treatments. However, model (FEFF) calculations of the EXAFS spectra demonstrate presence of distortions in the lattice that is neither cubic nor pure monoclinic. The SRIM results show that the yttria nano-particles appear more transparent than the steel matrix with regard to the H or He irradiations. The structure of the dispersed yttria nano-particles is therefore expected to remain rather unaltered under irradiation conditions. Long term ageing conditions together with irradiation may, however, lead to changes in matrix and dispersoids which are expected to be well characterized by EXAFS according to our results. (c) 2004 Elsevier B.V. All rights reserved. C1 Paul Scherrer Inst, Dept Nucl Energy & Safety, Lab Mat Behav, CH-5232 Villigen, Switzerland. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Degueldre, C (reprint author), Paul Scherrer Inst, Dept Nucl Energy & Safety, Lab Mat Behav, CH-5232 Villigen, Switzerland. EM claudedegueldre@psi.ch NR 23 TC 27 Z9 28 U1 0 U2 12 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0256 J9 COMP MATER SCI JI Comput. Mater. Sci. PY 2005 VL 33 IS 1-3 BP 3 EP 12 DI 10.1016/j.commatsci.2004.12.019 PG 10 WC Materials Science, Multidisciplinary SC Materials Science GA 911QV UT WOS:000228020500002 ER PT S AU Benedikt, B Lewis, M Rangaswamy, P AF Benedikt, B Lewis, M Rangaswamy, P BE Brebbia, CA Mammoli, AA TI An analysis of internal strains in unidirectional and chopped graphite fibre composites based on x-ray diffraction and micro Raman spectroscopy measurements SO Computational Methods and Experiments in Materials Characterisation II SE WIT TRANSACTIONS ON ENGINEERING SCIENCES LA English DT Proceedings Paper CT 2nd International Conference on Computation Methods and Experiments in Material Characterisation CY NOV 02-04, 2005 CL Portland, ME SP Wessex Inst Technol, Univ New Mexico, WIT Transaction Engn Sci DE x-ray diffraction; micro Raman spectroscopy; equivalent inclusion method; Eshelby tensor; interactions between inclusions; four-point bending AB In this paper, the method for the determination of internal strains in polymer matrix composites from the strain measurements in the embedded sensors has been examined. Two types of strain sensors embedded in either chopped graphite fibre/epoxy matrix composite or unidirectional graphite fibre/polyimide matrix L composite were investigated. For the chopped fibre composite, we used Kevlar-49 fibres (similar to 10 mu m in diameter) as strain sensors, while aluminium inclusions with diameters ranging from 1 to 20 mu m were embedded in the unidirectional composite. Both composite plates with embedded sensors were subjected to external loads generated by a four-point bending fixture. Strains inside the sensors were measured using either x-ray diffraction (XRD) or micro Raman spectroscopy (MRS). A model based on the equivalent inclusion method (EIM) was used to extract the internal strains in composites from the measured strains inside the embedded sensors. It has been demonstrated that the geometrical features and the material properties of the embedded strain sensors may affect the accuracy of the extraction of the composite internal strains. The average interactions between the sensors were found to have only a minor effect on the strain determination in a composite. C1 Los Alamos Natl Lab, Eng Sci & Applicat Div, Los Alamos, NM 87544 USA. RP Benedikt, B (reprint author), Los Alamos Natl Lab, Eng Sci & Applicat Div, POB 1663, Los Alamos, NM 87544 USA. NR 8 TC 0 Z9 0 U1 2 U2 2 PU WIT PRESS PI SOUTHAMPTON PA ASHURST LODGE, SOUTHAMPTON SO40 7AA, ASHURST, ENGLAND SN 1746-4471 BN 1-84564-031-4 J9 WIT TRANS ENG SCI PY 2005 VL 51 BP 13 EP 22 PG 10 WC Engineering, Mechanical; Materials Science, Characterization & Testing SC Engineering; Materials Science GA BDY97 UT WOS:000236277400002 ER PT S AU Onsum, MD Arkin, AP AF Onsum, MD Arkin, AP BE Danos, V Schachter, V TI Autonomous mobile robot control based on white blood cell chemotaxis SO COMPUTATIONAL METHODS IN SYSTEMS BIOLOGY SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Article; Proceedings Paper CT 2nd International Workshop on Computational Methods in Systems Biology (CMSB 2004) CY MAY 26-28, 2004 CL Paris, FRANCE SP Genoscope, Genopole, CNRS, Univ Paris 7, BioPathways Consortium ID NEUTROPHILS; MECHANISMS; MODELS AB This paper presents a biologically inspired algorithm to control an autonomous robot tracking a target. The algorithm is designed to mimic the behavior of a human neutrophil, a type of white blood cell that travels to sites of infection and digests bacterial antagonists. Neutrophils are known to be highly sensitive to low levels of chemical stimuli, robust to noise, and are capable navigating unknown terrain, all qualities that would be desired in an autonomous robot. In this paper we model a neutrophil as a collaborative control system, demonstrate the robustness of this algorithm, and suggest a computationally cheap method of implementation. Our simulations show that the performance of the robot is unaffected by constant disturbances and it is robust to random noise levels up to 5 times the tracking signal. Additionally, we demonstrate that this algorithm, as well the current models of neutrophil chemotaxis, are equivalent to a sensor fusion problem that optimizes directional sensing in the presence of noise. C1 Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. Howard Hughes Med Inst, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Onsum, MD (reprint author), Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. RI Arkin, Adam/A-6751-2008 OI Arkin, Adam/0000-0002-4999-2931 NR 13 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-25375-0 J9 LECT NOTES COMPUT SC PY 2005 VL 3082 BP 9 EP 19 PG 11 WC Biochemical Research Methods; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Biochemistry & Molecular Biology; Computer Science GA BCF20 UT WOS:000229012600002 ER PT S AU Chen, ML Geist, A Bernholdt, DE Chanchio, K Million, DL AF Chen, ML Geist, A Bernholdt, DE Chanchio, K Million, DL BE Gervasi, O Gavrilova, ML Kumar, V Lagana, A Lee, HP Mun, Y Taniar, D Tan, CJK TI The design and prototype of RUDA, a distributed Grid accounting system SO COMPUTATIONAL SCIENCE AND ITS APPLICATIONS - ICCSA 2005, PT 3 SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Article; Proceedings Paper CT International Conference on Computational Science and Its Applications (ICCSA 2005) CY MAY 09-12, 2005 CL Singapore, SINGAPORE SP Inst High Performance Comp, Univ Perugia, Univ Calgary, Univ Minnesota, Queens Univ Belfast, Soc Ind & Appl Math, IEE, OptimaNumerics Ltd, MASTER UP AB The Grid environment contains a large and growing number of widely distributed sites with heterogeneous resources. It is a great challenge to dynamically manage and account for usage data of Grid resources, such as computational, network, and storage resources. A distributed Resource Usage Data management and Accounting system (RUDA) is designed to perform accounting in the Grid environment. RUDA utilizes fully decentralized design to enhance scalability and supports heterogeneous resources with no significant impact on local systems. It can easily be integrated into Grid infrastructures and maintains the integrity of the Grid security features. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Chen, ML (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM chenml@ornl.gov; gst@ornl.gov; bernholdtde@ornl.gov; chanchiok@ornl.gov; milliondl@ornl.gov NR 6 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-25862-0 J9 LECT NOTES COMPUT SC PY 2005 VL 3482 BP 29 EP 38 PG 10 WC Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA BCK21 UT WOS:000229696900004 ER PT S AU Ju, JW Lapenta, G AF Ju, JW Lapenta, G BE Sunderam, VS VanAlbada, GD Sloot, PMA Dongarra, JJ TI Predictor-corrector preconditioned Newton-Krylov method for cavity flow SO COMPUTATIONAL SCIENCE - ICCS 2005, PT 1, PROCEEDINGS SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Article; Proceedings Paper CT 5th International Conference on Computational Science (ICCS 2005) CY MAY 22-25, 2005 CL Atlanta, GA SP Intel Corp, IBM Corp, Microsoft Res, SGI Silicon Graph, Emory Univ, Dpet Math & Comp Sci, Emory Univ, Inst Comparat & Int Studies, Emory Univ, Emory Coll, Emory Univ, Off Provost, Emory Univ, Grad Sch Arts & Sci, Springer AB The Newton-Krylov method is used to solve the incompressible Navier-Stokes equations. In the present study, two numerical schemes are considered for the method: employing the predictor-corrector method as preconditioner, and solving the equations without the preconditioner. The standard driven cavity flow is selected as the test problem to demonstrate the efficiency and the reliability of the present preconditioned method. It is found that the Newton-Krylov method becomes more efficient if combined with the preconditioner. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Ju, JW (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM jju@lanl.gov; lapenta@lanl.gov OI Lapenta, Giovanni/0000-0002-3123-4024 NR 11 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-26032-3 J9 LECT NOTES COMPUT SC PY 2005 VL 3514 BP 82 EP 89 PG 8 WC Computer Science, Theory & Methods SC Computer Science GA BCO47 UT WOS:000230414400011 ER PT S AU D'Azevedo, EF Fahey, MR Mills, RT AF D'Azevedo, EF Fahey, MR Mills, RT BE Sunderam, VS VanAlbada, GD Sloot, PMA Dongarra, JJ TI Vectorized sparse matrix multiply for compressed row storage format SO COMPUTATIONAL SCIENCE - ICCS 2005, PT 1, PROCEEDINGS SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Article; Proceedings Paper CT 5th International Conference on Computational Science (ICCS 2005) CY MAY 22-25, 2005 CL Atlanta, GA SP Intel Corp, IBM Corp, Microsoft Res, SGI Silicon Graph, Emory Univ, Dpet Math & Comp Sci, Emory Univ, Inst Comparat & Int Studies, Emory Univ, Emory Coll, Emory Univ, Off Provost, Emory Univ, Grad Sch Arts & Sci, Springer AB The innovation of this work is a simple vectorizable algorithm for performing sparse matrix vector multiply in compressed sparse row (CSR) storage format. Unlike the vectorizable jagged diagonal format (JAD), this algorithm requires no data rearrangement and can be easily adapted to a sophisticated library framework such as PETSc. Numerical experiments on the Cray X1 show an order of magnitude improvement over the non-vectorized algorithm. C1 Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Ctr Computat Sci, Oak Ridge, TN 37831 USA. RP D'Azevedo, EF (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. EM dazevedoef@ornl.gov; faheymr@ornl.gov; rmills@ornl.gov NR 9 TC 9 Z9 9 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-26032-3 J9 LECT NOTES COMPUT SC PY 2005 VL 3514 BP 99 EP 106 PG 8 WC Computer Science, Theory & Methods SC Computer Science GA BCO47 UT WOS:000230414400013 ER PT S AU Hartono, A Sibiryakov, A Nooijen, M Baumgartner, G Bernholdt, DE Hirata, S Lam, CC Pitzer, RM Ramanujam, J Sadayappan, P AF Hartono, A Sibiryakov, A Nooijen, M Baumgartner, G Bernholdt, DE Hirata, S Lam, CC Pitzer, RM Ramanujam, J Sadayappan, P BE Sunderam, VS VanAlbada, GD Sloot, PMA Dongarra, JJ TI Automated operation minimization of tensor contraction expressions in electronic structure calculations SO COMPUTATIONAL SCIENCE - ICCS 2005, PT 1, PROCEEDINGS SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Article; Proceedings Paper CT 5th International Conference on Computational Science (ICCS 2005) CY MAY 22-25, 2005 CL Atlanta, GA SP Intel Corp, IBM Corp, Microsoft Res, SGI Silicon Graph, Emory Univ, Dpet Math & Comp Sci, Emory Univ, Inst Comparat & Int Studies, Emory Univ, Emory Coll, Emory Univ, Off Provost, Emory Univ, Grad Sch Arts & Sci, Springer AB Complex tensor contraction expressions arise in accurate electronic structure models in quantum chemistry, such as the Coupled Cluster method. Transformations using algebraic properties of commutativity and associativity can be used to significantly decrease the number of arithmetic operations required for evaluation of these expressions, but the optimization problem is NP-hard. Operation minimization is an important optimization step for the Tensor Contraction Engine, a tool being developed for the automatic transformation of high-level tensor contraction expressions into efficient programs. In this paper, we develop an effective heuristic approach to the operation minimization problem, and demonstrate its effectiveness on tensor contraction expressions for coupled cluster equations. C1 Ohio State Univ, Dept Comp Sci & Engn, Columbus, OH 43210 USA. Ohio State Univ, Dept Chem, Columbus, OH 43210 USA. Univ Waterloo, Dept Chem, Waterloo, ON N2L BG1, Canada. Louisiana State Univ, Dept Elect & Comp Engn, Baton Rouge, LA 70803 USA. Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. Univ Florida, Quantum Theory Project, Gainesville, FL 32611 USA. RP Hartono, A (reprint author), Ohio State Univ, Dept Comp Sci & Engn, Columbus, OH 43210 USA. NR 13 TC 9 Z9 9 U1 0 U2 6 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-26032-3 J9 LECT NOTES COMPUT SC PY 2005 VL 3514 BP 155 EP 164 PG 10 WC Computer Science, Theory & Methods SC Computer Science GA BCO47 UT WOS:000230414400020 ER PT S AU Alam, S Vetter, J AF Alam, S Vetter, J BE Sunderam, VS VanAlbada, GD Sloot, PMA Dongarra, JJ TI Performance and scalability analysis of Cray X1 vectorization and multistreaming optimization SO COMPUTATIONAL SCIENCE - ICCS 2005, PT 1, PROCEEDINGS SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Article; Proceedings Paper CT 5th International Conference on Computational Science (ICCS 2005) CY MAY 22-25, 2005 CL Atlanta, GA SP Intel Corp, IBM Corp, Microsoft Res, SGI Silicon Graph, Emory Univ, Dpet Math & Comp Sci, Emory Univ, Inst Comparat & Int Studies, Emory Univ, Emory Coll, Emory Univ, Off Provost, Emory Univ, Grad Sch Arts & Sci, Springer AB Cray X1 Fortran and C/C++ compilers provide a number of loop transformations, notably vectorization and multistrearning, in order to exploit the multistreaming processor (MSP) hardware resources and its high memory bandwidth. A Cray X1 node is composed of four MSPs, which in turn are composed of four single streaming processors (SSP). Each SSP contains a superscalar processing unit and two vector processing units. Compiler vectorization provides loop level parallelization and uses the vector processing hardware. Multistreaming code generation by the compiler permits execution across the SSPs of an MSP on a block of code. In this paper, we analyze overall impact of loop-level compiler optimization on a scientific application called Parallel Ocean Program (POP). POP has been extensively optimized for X1 by instrumenting the code using X1 compiler directives. We compare and contrast automatic and manual optimization schemes available on X1 and analyze their impact on the code performance and scalability. Our results show that the addition of compiler directives increases the average vector length, thereby improving the single node performance significantly. However, this code scales at a slower rate as the local workload volume decreases and the communication costs increase. C1 Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. RP Alam, S (reprint author), Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. EM alamsr@ornl.gov; vetterjs@ornl.gov NR 11 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-26032-3 J9 LECT NOTES COMPUT SC PY 2005 VL 3514 BP 304 EP 312 PG 9 WC Computer Science, Theory & Methods SC Computer Science GA BCO47 UT WOS:000230414400038 ER PT S AU Engelmann, C Geist, A AF Engelmann, C Geist, A BE Sunderam, VS VanAlbada, GD Sloot, PMA Dongarra, JJ TI Super-scalable algorithms for computing on 100,000 processors SO COMPUTATIONAL SCIENCE - ICCS 2005, PT 1, PROCEEDINGS SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Article; Proceedings Paper CT 5th International Conference on Computational Science (ICCS 2005) CY MAY 22-25, 2005 CL Atlanta, GA SP Intel Corp, IBM Corp, Microsoft Res, SGI Silicon Graph, Emory Univ, Dpet Math & Comp Sci, Emory Univ, Inst Comparat & Int Studies, Emory Univ, Emory Coll, Emory Univ, Off Provost, Emory Univ, Grad Sch Arts & Sci, Springer AB In the next five years, the number of processors in high-end systems for scientific computing is expected to rise to tens and even hundreds of thousands. For example, the IBM BlueGene/L can have up to 128,000 processors and the delivery of the first system is scheduled for 2005. Existing deficiencies in scalability and fault-tolerance of scientific applications need to be addressed soon. If the number of processors grows by a magnitude and efficiency drops by a magnitude, the overall effective computing performance stays the same. Furthermore, the mean time to interrupt of high-end computer systems decreases with scale and complexity. In a 100,000-processor system, failures may occur every couple of minutes and traditional checkpointing may no longer be feasible. With this paper, we summarize our recent research in super-scalable algorithms for computing on 100,000 processors. We introduce the algorithm properties of scale invariance and natural fault tolerance, and discuss how they can be applied to two different classes of algorithms. We also describe a super-scalable diskless checkpointing algorithm for problems that can't be transformed into a superscalable variant, or where other solutions are more efficient. Finally, a 100,000-processor simulator is presented as a platform for testing and experimentation. C1 Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. RP Engelmann, C (reprint author), Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. EM engelmannc@ornl.gov; gst@ornl.gov NR 15 TC 20 Z9 21 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-26032-3 J9 LECT NOTES COMPUT SC PY 2005 VL 3514 BP 313 EP 321 PG 9 WC Computer Science, Theory & Methods SC Computer Science GA BCO47 UT WOS:000230414400039 ER PT S AU Naumann, U Utke, J AF Naumann, U Utke, J BE Sunderam, VS VanAlbada, GD Sloot, PMA Dongarra, JJ TI Source templates for the automatic generation of adjoint code through static call graph reversal SO COMPUTATIONAL SCIENCE - ICCS 2005, PT 1, PROCEEDINGS SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Article; Proceedings Paper CT 5th International Conference on Computational Science (ICCS 2005) CY MAY 22-25, 2005 CL Atlanta, GA SP Intel Corp, IBM Corp, Microsoft Res, SGI Silicon Graph, Emory Univ, Dpet Math & Comp Sci, Emory Univ, Inst Comparat & Int Studies, Emory Univ, Emory Coll, Emory Univ, Off Provost, Emory Univ, Grad Sch Arts & Sci, Springer AB We present a new approach to the automatic generation of adjoint codes using automatic differentiation by source transformation. Our method relies on static checkpointing techniques applied to an extended version of the program's call graph. A code template is provided to implement a control structure governing the execution of the adjoint and augmented forward versions of each subroutine in the program. These code variants are generated automatically by algorithms that are independent of the programming language of the original code. The major advantage of this new approach is its flexibility with respect to various reversal schemes. C1 Univ Aachen, Rhein Westfal TH Aachen, Software & Tools Computat Engn, D-52056 Aachen, Germany. Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Naumann, U (reprint author), Univ Aachen, Rhein Westfal TH Aachen, Software & Tools Computat Engn, D-52056 Aachen, Germany. EM naumann@stce.rwth-aachen.de; utke@mcs.anl.gov NR 8 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-26032-3 J9 LECT NOTES COMPUT SC PY 2005 VL 3514 BP 338 EP 346 PG 9 WC Computer Science, Theory & Methods SC Computer Science GA BCO47 UT WOS:000230414400042 ER PT S AU Elwasif, WR Batchelor, DB Bernholdt, DE Berry, LA D'Azevedo, EF Houlberg, WA Jaeger, EF Kohl, JA Li, SH AF Elwasif, WR Batchelor, DB Bernholdt, DE Berry, LA D'Azevedo, EF Houlberg, WA Jaeger, EF Kohl, JA Li, SH BE Sunderam, VS VanAlbada, GD Sloot, PMA Dongarra, JJ TI Coupled fusion simulation using the common component architecture SO COMPUTATIONAL SCIENCE - ICCS 2005, PT 1, PROCEEDINGS SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Article; Proceedings Paper CT 5th International Conference on Computational Science (ICCS 2005) CY MAY 22-25, 2005 CL Atlanta, GA SP Intel Corp, IBM Corp, Microsoft Res, SGI Silicon Graph, Emory Univ, Dpet Math & Comp Sci, Emory Univ, Inst Comparat & Int Studies, Emory Univ, Emory Coll, Emory Univ, Off Provost, Emory Univ, Grad Sch Arts & Sci, Springer ID OPTIMIZATION; SYSTEMS AB The physics of magnetically-confined fusion plasmas involves many different processes with multiple time and length scales that cover many orders of magnitude. As the capability of large parallel computers continues to grow, the goal of an integrated self-consistent simulation of all of the relevant physics draws closer. However, advances in computer science, physics formulations, and algorithms are also needed to achieve this goal. In this paper, we present an overview of an on-going project which is exploring these issues in the context of integrated simulation of radio frequency (RF) heating and transport physics as an initial step toward whole-device modeling. We present our experience in using the common componment architecture (CCA) as the underlying framework for the integration of the different physics modules. This work illustrates the viability of using high performance component technology in a complex simulation environment. C1 Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Div Fus Energy, Oak Ridge, TN 37831 USA. Texas A&M Univ, Dept Elect Engn & Comp Sci, Kingsville, TX 78363 USA. RP Elwasif, WR (reprint author), Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. EM elwasifwr@ornl.gov; batchelordb@ornl.gov; bernholdtde@ornl.gov; berryla@ornl.gov; dazevedoef@ornl.gov; houlbergwa@ornl.gov; jaegeref@ornl.gov; kohlja@ornl.gov; Shuhui.Li@tamuk.edu NR 12 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-26032-3 J9 LECT NOTES COMPUT SC PY 2005 VL 3514 BP 372 EP 379 PG 8 WC Computer Science, Theory & Methods SC Computer Science GA BCO47 UT WOS:000230414400046 ER PT S AU Swain, WT Scott, SL AF Swain, WT Scott, SL BE Sunderam, VS VanAlbada, GD Sloot, PMA Dongarra, JJ TI Model-based statistical testing of a cluster utility SO COMPUTATIONAL SCIENCE - ICCS 2005, PT 1, PROCEEDINGS SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Article; Proceedings Paper CT 5th International Conference on Computational Science (ICCS 2005) CY MAY 22-25, 2005 CL Atlanta, GA SP Intel Corp, IBM Corp, Microsoft Res, SGI Silicon Graph, Emory Univ, Dpet Math & Comp Sci, Emory Univ, Inst Comparat & Int Studies, Emory Univ, Emory Coll, Emory Univ, Off Provost, Emory Univ, Grad Sch Arts & Sci, Springer AB As High Performance Computing becomes more collaborative, software certification practices are needed to quantify the credibility of shared applications. To demonstrate quantitative certification testing, Model-Based Statistical Testing (MBST) was applied to cexec, a cluster control utility developed in the Network and Cluster Computing Group of Oak Ridge National Laboratory. MBST involves generation of test cases from a usage model. The test results are then analyzed statistically to measure software reliability. The population of cexec uses was modeled in terms of input selection choices. The J Usage Model Builder Library (JUMBL) provided the capability to generate test cases directly as Python scripts. Additional Python functions and shell scripts were written to complete a test automation framework. The resulting certification capability employs two large test suites. One consists of "weighted" test cases to provide an intensive fault detection capability, while the other consists of random test cases to provide a statistically meaningful assessment of reliability. C1 Univ Tennessee, Dept Comp Sci, Software Qual Res Lab, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Comp Sci & Math Div, Network & Cluster Comp Grp, Oak Ridge, TN USA. RP Swain, WT (reprint author), Univ Tennessee, Dept Comp Sci, Software Qual Res Lab, Knoxville, TN 37996 USA. EM swain@cs.utk.edu; scottsl@ornl.gov NR 6 TC 3 Z9 3 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-26032-3 J9 LECT NOTES COMPUT SC PY 2005 VL 3514 BP 443 EP 450 PG 8 WC Computer Science, Theory & Methods SC Computer Science GA BCO47 UT WOS:000230414400055 ER PT S AU Schulz, M May, J Gyllenhaal, J AF Schulz, M May, J Gyllenhaal, J BE Sunderam, VS VanAlbada, GD Sloot, PMA Dongarra, JJ TI DynTG: A tool for interactive, dynamic instrumentation SO COMPUTATIONAL SCIENCE - ICCS 2005, PT 2 SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Article; Proceedings Paper CT 5th International Conference on Computational Science (ICCS 2005) CY MAY 22-25, 2005 CL Atlanta, GA SP Intel Corp, IBM Corp, Microsoft Res, SGI Silicon Graph, Emory Univ, Dpet Math & Comp Sci, Emory Univ, Inst Comparat & Int Studies, Emory Univ, Emory Coll, Emory Univ, Off Provost, Emory Univ, Grad Sch Arts & Sci, Springer AB With the increasing complexity of today's systems, detailed performance analysis is more important than ever. We have developed DynTG, a tool for interactive, dynamic instrumentation. It uses performance module plugins to reconfigure the data acquisition and provides a source browser that allows users to insert any probe functionality provided by the modules dynamically into the target application. Any instrumentation can be added both before and during the application's execution and the acquired data is presented in realtime within the source viewer. This enables users to monitor their applications' progress and interactively control and adapt the instrumentation based on their observations. C1 Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94550 USA. RP Schulz, M (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94550 USA. EM schulzm@llnl.gov; johnmay@llnl.gov; gyllen@llnl.gov NR 9 TC 2 Z9 2 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-26043-9 J9 LECT NOTES COMPUT SC PY 2005 VL 3515 BP 140 EP 148 PG 9 WC Computer Science, Theory & Methods SC Computer Science GA BCM76 UT WOS:000230023800018 ER PT S AU Pakin, S AF Pakin, S BE Sunderam, VS VanAlbada, GD Sloot, PMA Dongarra, JJ TI Rapid development of application-specific network performance tests SO COMPUTATIONAL SCIENCE - ICCS 2005, PT 2 SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Article; Proceedings Paper CT 5th International Conference on Computational Science (ICCS 2005) CY MAY 22-25, 2005 CL Atlanta, GA SP Intel Corp, IBM Corp, Microsoft Res, SGI Silicon Graph, Emory Univ, Dpet Math & Comp Sci, Emory Univ, Inst Comparat & Int Studies, Emory Univ, Emory Coll, Emory Univ, Off Provost, Emory Univ, Grad Sch Arts & Sci, Springer AB Analyzing the performance of networks and messaging layers is important for diagnosing anomalous performance in parallel applications. However, general-purpose benchmarks rarely provide sufficient insight into any particular application's behavior. What is needed is a facility for rapidly developing customized network performance tests that mimic an application's use of the network but allow for easier experimentation to help determine performance bottlenecks. In this paper, we contrast four approaches to developing customized network performance tests: straight C, C with a helper library, Python with a helper library, and a domain-specific language. We show that while a special-purpose library can result in significant improvements in functionality without sacrificing language familiarity, the key to facilitating rapid development of network performances tests is to use a domain-specific language designed expressly for that purpose. C1 Los Alamos Natl Lab, IOS, Los Alamos, NM 87545 USA. RP Pakin, S (reprint author), Los Alamos Natl Lab, IOS, Los Alamos, NM 87545 USA. EM pakin@lanl.gov NR 11 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-26043-9 J9 LECT NOTES COMPUT SC PY 2005 VL 3515 BP 149 EP 157 PG 9 WC Computer Science, Theory & Methods SC Computer Science GA BCM76 UT WOS:000230023800019 ER PT S AU Lapenta, G Markidis, S AF Lapenta, G Markidis, S BE Sunderam, VS VanAlbada, GD Sloot, PMA Dongarra, JJ TI Plug and play approach to validation of particle-based algorithms SO COMPUTATIONAL SCIENCE - ICCS 2005, PT 3 SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Article; Proceedings Paper CT 5th International Conference on Computational Science (ICCS 2005) CY MAY 22-25, 2005 CL Atlanta, GA SP Intel Corp, IBM Corp, Microsoft Res, SGI Silicon Graph, Emory Univ, Dpet Math & Comp Sci, Emory Univ, Inst Comparat & Int Studies, Emory Univ, Emory Coll, Emory Univ, Off Provost, Emory Univ, Grad Sch Arts & Sci, Springer AB We present a new approach for code validation. The approach is based on using particle-based algorithms to simulate different levels of physical complexity. We consider here heat and mass transfer in a multicomponent plasma at the kinetic and fluid level. By representing both levels using particle methods we can design a component based software package, Parsek, to conduct validation using a plug and play approach. With the plug and play paradigm, different components representing different physical descriptions but all based on a common particle algorithm can be interchanged without altering the overall software architecture and the overall algorithm. The advantage of the plug and play approach is that validation can be conducted for each component and switching between physical descriptions requires the validation of just the affected components, not entire codes. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Lapenta, G (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM lapenta@lanl.gov; markidis@lanl.gov OI Lapenta, Giovanni/0000-0002-3123-4024 NR 5 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-26044-7 J9 LECT NOTES COMPUT SC PY 2005 VL 3516 BP 88 EP 95 PG 8 WC Computer Science, Theory & Methods SC Computer Science GA BCM77 UT WOS:000230026200012 ER PT S AU Tomov, S Langou, J Canning, A Wang, LW Dongarra, J AF Tomov, S Langou, J Canning, A Wang, LW Dongarra, J BE Sunderam, VS VanAlbada, GD Sloot, PMA Dongarra, JJ TI Comparison of Nonlinear conjugate-gradient methods for computing the electronic properties of nanostructure architectures SO COMPUTATIONAL SCIENCE - ICCS 2005, PT 3 SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Article; Proceedings Paper CT 5th International Conference on Computational Science (ICCS 2005) CY MAY 22-25, 2005 CL Atlanta, GA SP Intel Corp, IBM Corp, Microsoft Res, SGI Silicon Graph, Emory Univ, Dpet Math & Comp Sci, Emory Univ, Inst Comparat & Int Studies, Emory Univ, Emory Coll, Emory Univ, Off Provost, Emory Univ, Grad Sch Arts & Sci, Springer ID QUANTUM DOTS; ENERGY AB In this article we report on our efforts to test and expand the current state-of-the-art in eigenvalue solvers applied to the field of nanotechnology. We singled out the nonlinear conjugate gradients (CC) methods as the backbone of our efforts for their previous success in predicting the electronic properties of large nanostructures and made a library of three different solvers (two recent and one new) that we integrated into the parallel PESCAN (Parallel Energy SCAN) code [3] to perform a comparison. C1 Univ Tennessee, Innovat Comp Lab, Knoxville, TN 37996 USA. Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. RP Tomov, S (reprint author), Univ Tennessee, Innovat Comp Lab, Knoxville, TN 37996 USA. RI Langou, Julien/G-5788-2013 NR 10 TC 3 Z9 3 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-26044-7 J9 LECT NOTES COMPUT SC PY 2005 VL 3516 BP 317 EP 325 PG 9 WC Computer Science, Theory & Methods SC Computer Science GA BCM77 UT WOS:000230026200044 ER PT S AU Chen, J Jardin, SC Strauss, HR AF Chen, J Jardin, SC Strauss, HR BE Sunderam, VS VanAlbada, GD Sloot, PMA Dongarra, JJ TI Solving anisotropic transport equation on misaligned grids SO COMPUTATIONAL SCIENCE - ICCS 2005, PT 3 SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Article; Proceedings Paper CT 5th International Conference on Computational Science (ICCS 2005) CY MAY 22-25, 2005 CL Atlanta, GA SP Intel Corp, IBM Corp, Microsoft Res, SGI Silicon Graph, Emory Univ, Dpet Math & Comp Sci, Emory Univ, Inst Comparat & Int Studies, Emory Univ, Emory Coll, Emory Univ, Off Provost, Emory Univ, Grad Sch Arts & Sci, Springer AB Triangular 3rd order Lagrange elements have been implemented previously to study the numerical error associated with grid misalignment. It has previously been found that grid misalignment strongly affects numerical accuracy in the case of linear elements. The same conclusion was obtained by higher order finite difference. Here we observe that this is also true for higher order finite elements, up to 3rd order, when the solution has a steep gradient. Three types of meshes are considered. Type t1 has one element edge fully aligned with the strong transport direction; type Q doesn't have any alignment with that direction; type t0 is a combination of t1 and t2, i.e., partial alignment. C1 Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. NYU, Courant Inst, New York, NY 10012 USA. RP Chen, J (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM jchen@pppl.gov RI Jardin, Stephen/E-9392-2010 NR 4 TC 2 Z9 2 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-26044-7 J9 LECT NOTES COMPUT SC PY 2005 VL 3516 BP 1076 EP 1079 PG 4 WC Computer Science, Theory & Methods SC Computer Science GA BCM77 UT WOS:000230026200176 ER PT J AU Levine, RA Yu, ZX Hanley, WG Nitao, JJ AF Levine, RA Yu, ZX Hanley, WG Nitao, JJ TI Implementing random scan Gibbs samplers SO COMPUTATIONAL STATISTICS LA English DT Article DE Markov chain Monte Carlo; Gaussian approximation; adaptive algorithms; optimal sweep strategies; convergence rate; asymptotic risk ID CONVERGENCE PROPERTIES; STOCHASTIC RELAXATION; DISTRIBUTIONS AB The Gibbs sampler, being a popular routine amongst Markov chain Monte Carlo sampling methodologies, has revolutionized the application of Monte Carlo methods in statistical computing practice. The performance of the Gibbs sampler relies heavily on the choice of sweep strategy, that is, the means by which the components or blocks of the random vector X of interest are visited and updated. We develop an automated, adaptive algorithm for implementing the optimal sweep strategy as the Gibbs sampler traverses the sample space. The decision rules through which this strategy is chosen are based on convergence properties of the induced chain and precision of statistical inferences drawn from the generated Monte Carlo samples. As part of the development, we analytically derive closed form expressions for the decision criteria of interest and present computationally feasible implementations of the adaptive random scan Gibbs sampler via a Gaussian approximation to the target distribution. We illustrate the results and algorithms presented by using the adaptive random scan Gibbs sampler developed to sample multivariate Gaussian target distributions, and screening test and image data. C1 San Diego State Univ, Dept Math & Stat, San Diego, CA 92182 USA. Rice Univ, Dept Stat, Houston, TX 77251 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Levine, RA (reprint author), San Diego State Univ, Dept Math & Stat, San Diego, CA 92182 USA. NR 20 TC 7 Z9 7 U1 0 U2 1 PU PHYSICA-VERLAG GMBH & CO PI HEIDELBERG PA TIERGARTENSTRASSE 17, 69121 HEIDELBERG, GERMANY SN 0943-4062 J9 COMPUTATION STAT JI Comput. Stat. PY 2005 VL 20 IS 1 BP 177 EP 196 DI 10.1007/BF02736129 PG 20 WC Statistics & Probability SC Mathematics GA 924XI UT WOS:000229013900011 ER PT J AU Van de Sompel, H Bekaert, J Liu, XM Balakireva, L Schwander, T AF Van de Sompel, H Bekaert, J Liu, XM Balakireva, L Schwander, T TI aDORe: A modular, standards-based digital object repository SO COMPUTER JOURNAL LA English DT Article AB This paper describes the aDORe repository architecture designed and implemented for ingesting, storing, and accessing a vast collection of Digital Objects at the Research Library of the Los Alamos National Laboratory. The aDORe architecture is highly modular and standards-based. In the architecture, the MPEG-21 Digital Item Declaration Language is used as the XML-based format to represent Digital Objects that can consist of multiple datastreams as Open Archival Information System Archival Information Packages (OAIS AIPs). Through an ingestion process, these OAIS AIPs are stored in a multitude of autonomous repositories. A Repository Index keeps track of the creation and location of all the autonomous repositories, whereas an Identifier Locator reflects in which autonomous repository a given Digital Object or OAIS AIP resides. A front-end to the complete environment-the OAI-PMH Federator-is introduced for requesting OAIS Dissmination Information Packages (OAIS DIPs). These OAIS DIPs can be the stored OAIS AIPs themselves, or transformations thereof. This front-end allows OAI-PMH harvesters to recurrently and selectively collect batches of OAIS DIPs from aDORe, and hence to create multiple, parallel services using the collected objects. Another front-end-the OpenURL Resolver-is introduced for requesting OAIS Result Sets. An OAIS Result Set is a dissemination of an individual Digital Object or of its constituent datastreams. Both front-ends make use of an MPEG-21 Digital Item Processing engine to apply those services to OAIS AIPs, Digital Objects, or constituent datastreams that were specified in a dissemination request. C1 Los Alamos Natl Lab, Res Lib, Los Alamos, NM 87544 USA. RP Van de Sompel, H (reprint author), Los Alamos Natl Lab, Res Lib, POB 1663, Los Alamos, NM 87544 USA. EM herbertv@lanl.gov; jbekaert@lanl.gov; liu_x@lanl.gov; ludab@lanl.gov; schwander@lanl.gov OI Van de Sompel, Herbert/0000-0002-0715-6126 NR 42 TC 4 Z9 4 U1 0 U2 1 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0010-4620 J9 COMPUT J JI Comput. J. PY 2005 VL 48 IS 5 BP 514 EP 535 DI 10.1093/comjnl/bxh114 PG 22 WC Computer Science, Hardware & Architecture; Computer Science, Information Systems; Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA 958UE UT WOS:000231472900003 ER PT J AU Bochev, P Shashkov, M AF Bochev, P Shashkov, M TI Constrained interpolation (remap) of divergence-free fields SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article; Proceedings Paper CT 11th Conference on Mathematics of Finite Elements and Applications (MAFELAP 2003) CY JUN 21-24, 2003 CL Brunel Univ, Uxbridge, ENGLAND HO Brunel Univ DE remap; divergence-free; exact sequence of finite element spaces ID GRIDS; MAGNETOHYDRODYNAMICS; DISCRETIZATIONS; EQUATIONS; CURL AB A novel constrained interpolation algorithm for remapping of solenoidal face finite element vector fields is presented. The algorithm is based on explicit recovery, postprocessing and interpolation of a potential for the original vector field and a subsequent application of a curl operator to obtain the desired divergence-free finite element field on the new mesh. The use of interpolation instead of advection in the remap process offers valuable computational advantages. Old and new meshes are neither required to have the same connectivity, nor to be close to each other. Slope limiting and upwinding, which can be sensitive to grid structure, are avoided and replaced by local optimization to control energy of the remapped field. The new method is validated using a suite of cyclic remap problems on random and tensor product mesh sequences. A comparison with a local remapper based on a constrained transport advection algorithm is also included. (C) 2004 Elsevier B.V. All rights reserved. C1 Sandia Natl Labs, Computat Math & Algorithms, Albuquerque, NM 87185 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Bochev, P (reprint author), Sandia Natl Labs, Computat Math & Algorithms, POB 5800,MS 1110, Albuquerque, NM 87185 USA. EM pbboche@sandia.gov; shashkov@ian1.gov NR 26 TC 14 Z9 14 U1 0 U2 0 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2005 VL 194 IS 2-5 SI SI BP 511 EP 530 DI 10.1016/j.cma.2004.05.018 PG 20 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 881UA UT WOS:000225893700027 ER PT J AU Juanes, R Patzek, TW AF Juanes, R Patzek, TW TI Multiscale-stabilized solutions to one-dimensional systems of conservation laws SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE stabilized finite elements; multiscale; shock-capturing; porous media flow; shallow water equations ID FINITE-ELEMENT-METHOD; COMPUTATIONAL FLUID-DYNAMICS; ADVECTIVE-DIFFUSIVE SYSTEMS; NAVIER-STOKES EQUATIONS; LARGE-EDDY SIMULATION; POROUS-MEDIA; INCOMPRESSIBLE FLOWS; STRAIN LOCALIZATION; HELMHOLTZ-EQUATION; 3-PHASE FLOW AB We present a variational multiscale formulation for the numerical solution of one-dimensional systems of conservation laws. The key idea of the proposed formulation, originally presented by Hughes [Comput. Methods Appl. Mech. Engrg., 127 (1995) 387-401], is a multiple-scale decomposition into resolved grid scales and unresolved subgrid scales. Incorporating the effect of the subgrid scales onto the coarse scale problem results in a finite element method with enhanced stability properties, capable of accurately representing the sharp features of the solution. In the formulation developed herein, the multiscale split is invoked prior to any linearization of the equations. Special attention is given to the choice of the matrix of stabilizing coefficients and the discontinuity-capturing diffusion. The methodology is applied to the one-dimensional simulation of three-phase flow in porous media, and the shallow water equations. These numerical simulations clearly show the potential and applicability of the formulation for solving highly nonlinear, nearly hyperbolic systems on very coarse grids. Application of the numerical formulation to multidimensional problems is presented in a forthcoming paper. © 2004 Elsevier B.V. All rights reserved. C1 Stanford Univ, Dept Petr Engn, Stanford, CA 94305 USA. Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Juanes, R (reprint author), Stanford Univ, Dept Petr Engn, 65 Green Earth Sci Bldg, Stanford, CA 94305 USA. EM ruben.juanes@stanford.edu RI Juanes, Ruben/F-8004-2011 NR 41 TC 9 Z9 9 U1 1 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2005 VL 194 IS 25-26 BP 2781 EP 2805 DI 10.1016/j.cma.2004.07.026 PG 25 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 925OF UT WOS:000229061700003 ER PT J AU Pierce, T Rodrigue, G AF Pierce, T Rodrigue, G TI A parallel two-sided contact algorithm in ALE3D SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE contact surface; ALE; finite element; parallel computing AB A scalable parallel algorithm for treating two-sided contact in a finite-element multi-physics code (ALE3D) is presented. This method assumes that proximity between the two sides changes continuously, and uses a local search to update proximity relations each cycle. The evolving communication pattern is treated entirely by local, nearest-neighbor communication; there is no global communication. Opening and closing voids, overlapping and intersecting contact surfaces, and a number of other special features are supported. (c) 2004 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Univ Calif Davis, Dept Appl Sci, Davis, CA 95616 USA. RP Pierce, T (reprint author), Lawrence Livermore Natl Lab, Mail Stop L-98, Livermore, CA 94551 USA. EM pierce7@llnl.gov; ghrodrigue@ucdavis.edu NR 11 TC 3 Z9 5 U1 0 U2 1 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2005 VL 194 IS 27-29 BP 3127 EP 3146 DI 10.1016/j.cma.2004.08.011 PG 20 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 930FU UT WOS:000229402000011 ER PT J AU Foster, CD Regueiro, RA Fossum, AF Borja, RI AF Foster, CD Regueiro, RA Fossum, AF Borja, RI TI Implicit numerical integration of a three-invariant, isotropic/kinematic hardening cap plasticity model for geomaterials SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE kinematic hardening; spectral decomposition; plasticity; geomechanics; implicit integration ID CONSTITUTIVE LAWS; ALGORITHM; THERMODYNAMICS; IMPLEMENTATION AB The mechanical constitutive behavior of geomaterials is quite complex, involving pressure-sensitive yielding, differences in strength in triaxial extension vs. compression, the Bauschinger effect, dependence on porosity, and other factors. Capturing these behaviors necessitates the use of fairly complicated and expensive non-linear material models. For elastically isotropic materials, such models usually involve three-invariant plasticity formulations. Spectral decomposition has been used to increase the efficiency of numerical simulation for such models for the isotropically hardening case. We modify the spectral decomposition technique to models that include kinematic hardening. Finally, we perform some numerical simulations to demonstrate quadratic convergence. (c) 2005 Elsevier B.V. All rights reserved. C1 Sandia Natl Labs, Mat & Engn Sci Ctr, Livermore, CA 94551 USA. Stanford Univ, Dept Civil & Environm Engn, Stanford, CA 94305 USA. Sandia Natl Labs, Geosci & Environm Ctr, Albuquerque, NM 87185 USA. RP Regueiro, RA (reprint author), Sandia Natl Labs, Mat & Engn Sci Ctr, POB 969,MS 9405, Livermore, CA 94551 USA. EM raregue@sandia.gov OI Regueiro, Richard/0000-0002-1669-1753 NR 26 TC 43 Z9 44 U1 0 U2 9 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2005 VL 194 IS 50-52 BP 5109 EP 5138 DI 10.1016/j.cma.2005.01.001 PG 30 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 971NL UT WOS:000232391000001 ER PT J AU Johnson, RW AF Johnson, RW TI A B-spline collocation method for solving the incompressible Navier-Stokes equations using an ad hoc method: the Boundary Residual method SO COMPUTERS & FLUIDS LA English DT Article ID APPROXIMATION AB Collocation methods using piece-wise polynomials, including B-splines, have been developed to find approximate solutions to both ordinary and partial differential equations. Such methods are elegant in their simplicity and efficient in their application. The spline collocation method is typically more efficient than traditional Galerkin finite element methods, which are used to solve the equations of fluid dynamics. The collocation method avoids integration. Exact formulae are available to find derivatives on spline curves and surfaces. The primary objective of the present work is to determine the requirements for the successful application of B-spline collocation to solve the coupled, steady, 2D, incompressible Navier-Stokes and continuity equations for laminar flow. The successful application of B-spline collocation included the development of ad hoc method dubbed the Boundary Residual method to deal with the presence of the pressure terms in the Navier-Stokes equations. Historically, other ad hoc methods have been developed to solve: the incompressible Navier-Stokes equations, including the artificial compressibility, pressure correction and penalty methods. Convergence studies show that the ad hoc Boundary Residual method is convergent toward an exact (manufactured) solution for the 2D, steady, incompressible Navier Stokes and continuity equations. C-1 cubic and quartic B-spline schemes employing orthogonal collocation and C-2 cubic and C-3 quartic B-spline schemes with collocation at the Greville points are investigated. The C-3 quartic Greville scheme is shown to be the most efficient scheme for a given accuracy, even though the C-1 quartic orthogonal scheme is the most accurate for a given partition. Two solution approaches are employed, including a globally-convergent zero-finding Newton's method using an LU decomposition direct solver and the variable-metric minimization method using BFGS update. Published by Elsevier Ltd. C1 INEEL, Idaho Falls, ID 83415 USA. RP Johnson, RW (reprint author), INEEL, POB 1625, Idaho Falls, ID 83415 USA. EM rwj@inel.gov NR 33 TC 18 Z9 18 U1 2 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0045-7930 J9 COMPUT FLUIDS JI Comput. Fluids PD JAN PY 2005 VL 34 IS 1 BP 121 EP 149 DI 10.1016/j.compfluid.2004.03.005 PG 29 WC Computer Science, Interdisciplinary Applications; Mechanics SC Computer Science; Mechanics GA 864KR UT WOS:000224632900007 ER PT S AU Suters, WH Abu-Khzam, FN Zhang, Y Symons, CT Samatova, NF Langston, MA AF Suters, WH Abu-Khzam, FN Zhang, Y Symons, CT Samatova, NF Langston, MA BE Wang, LH TI A new approach and faster exact methods for the maximum common subgraph problem SO COMPUTING AND COMBINATORICS, PROCEEDINGS SE Lecture Notes in Computer Science LA English DT Article; Proceedings Paper CT 11th Annual International Conference on Computing and Combinatorics (COCOON 2005) CY AUG 16-29, 2005 CL Kunming, PEOPLES R CHINA SP Chinese Acad Sci, Acad Math & Syst Sci ID ALGORITHMS; GRAPHS; TREES; SEARCH AB The Maximum Common Subgraph (MCS) problem appears in many guises and in a wide variety of applications. The usual goal is to take as inputs two graphs, of order m and n, respectively, and find the largest induced subgraph contained in both of them. MCS is frequently solved by reduction to the problem of finding a maximum clique in the order mn association graph, which is a particular form of product graph built from the inputs. In this paper a new algorithm, termed "clique branching," is proposed that exploits a special structure inherent in the association graph. This structure contains a large number of naturally-ordered cliques that are present in the association graph's complement. A detailed analysis shows that the proposed algorithm requires O((m + 1)(n)) time, which is a superior worst-case bound to those known for previously-analyzed algorithms in the setting of the MCS problem. C1 Carson Newman Coll, Dept Math & Comp Sci, Jefferson City, TN 37760 USA. Lebanese Amer Univ, Div Comp Sci & Math, Beirut, Lebanon. Univ Tennessee, Dept Comp Sci, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. RP Carson Newman Coll, Dept Math & Comp Sci, CN Box 71958, Jefferson City, TN 37760 USA. EM samatovan@ornl.gov; langston@cs.utk.edu RI Langston, Michael/A-9484-2011 NR 23 TC 10 Z9 10 U1 0 U2 2 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-28061-8 J9 LECT NOTES COMPUT SC PY 2005 VL 3595 BP 717 EP 727 PG 11 WC Computer Science, Theory & Methods SC Computer Science GA BCY51 UT WOS:000231866900073 ER PT S AU Joslyn, CA Bruno, WJ AF Joslyn, CA Bruno, WJ BE Dau, F Mugnier, ML Stumme, G TI Weighted pseudo-distances for categorization in semantic hierarchies SO CONCEPTUAL STRUCTURES: COMMON SEMANTICS FOR SHARING KNOWLEDGE, PROCEEDINGS SE Lecture Notes in Artificial Intelligence LA English DT Article; Proceedings Paper CT 13th International Conference on Conceptual Structures CY JUL 17-22, 2005 CL Kassel, GERMANY ID GENE ONTOLOGY; SIMILARITY AB Ontologies, taxonomies, and other semantic hierarchies are increasingly necessary for organizing large quantities of data. We continue our development of knowledge discovery techniques based on combinatorial algorithrms rooted in order theory by aiming to supplement the pseudo-distances previously developed as structural measures of vertical height in poset-based ontologies with quantitative measures of vertical distance based on additional statistical information. In this way, we seek to accommodate weighting of different portions of the underlying ontology according to this external information source. We also wish to improve on the deficiencies of existing such measures, in particular Resnik's measure of semantic similarity in lexical databases such as Wordnet. We begin by recalling and developing some basic concepts for ordered data objects, including our pseudo-distances and the operation of probability distributions as weights on posets. We then discuss and critique Resnik's measure before introducing our own sense of links weights and weighted normalized pseudo-distances among comparable nodes. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Joslyn, CA (reprint author), Los Alamos Natl Lab, Div Theoret, POB 1663, Los Alamos, NM 87545 USA. EM joslyn@lanl.gov; billb@lanl.gov NR 17 TC 3 Z9 3 U1 0 U2 2 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 3-540-27783-8 J9 LECT NOTES ARTIF INT PY 2005 VL 3596 BP 381 EP 395 PG 15 WC Computer Science, Artificial Intelligence SC Computer Science GA BCR31 UT WOS:000230899600026 ER PT J AU Malard, JM AF Malard, JM TI A role for Pareto optimality in mining performance data SO CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE LA English DT Article DE Pareto efficiency; dendogram; multiobjective optimization; software performance; hardware events ID LINEAR ALGEBRA; MEMORY; COMMUNICATION; MATRIX; SET AB Improvements in performance modeling and identification of computational regimes within software libraries is a critical first step in developing software libraries that are truly agile with respect to the application as well as to the hardware. It is shown here that Pareto ranking, a concept from multi-objective optimization, can be an effective tool for mining large performance datasets. The approach is illustrated using software performance data gathered using both the public domain LAPACK library and an asynchronous communication library based on IBM LAPI active message library. Copyright (C) 2005 John Wiley Sons, Ltd. C1 Pacific NW Natl Lab, Computat Sci & Appl Math, Richland, WA 99352 USA. RP Malard, JM (reprint author), Pacific NW Natl Lab, Computat Sci & Appl Math, Battelle Blvd,POB 999, Richland, WA 99352 USA. EM jm.malard@pnl.gov NR 38 TC 1 Z9 1 U1 0 U2 0 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1532-0626 J9 CONCURR COMP-PRACT E JI Concurr. Comput.-Pract. Exp. PD JAN PY 2005 VL 17 IS 1 BP 27 EP 48 DI 10.1002/cpe.877 PG 22 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA 883TG UT WOS:000226038000002 ER PT J AU Oliker, L Canning, A Carter, J Shalf, J Skinner, D Ethier, S Biswas, R Djomehri, J Van der Wijngaart, R AF Oliker, L Canning, A Carter, J Shalf, J Skinner, D Ethier, S Biswas, R Djomehri, J Van der Wijngaart, R TI Performance evaluation of the SX-6 vector architecture for scientific computations SO CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE LA English DT Article DE microbenchmarks; NAS Parallel Benchmarks; scientific applications; vectorization; superscalar performance AB The growing gap between sustained and peak performance for scientific applications is a well-known problem in high-performance computing. The recent development of parallel vector systems offers the potential to reduce this gap for many computational science codes and deliver a substantial increase in computing capabilities. This paper examines the intranode performance of the NEC SX-6 vector processor, and compares it against the cache-based IBM Power3 and Power4 superscalar architectures, across a number of key scientific computing areas. First, we present the performance of a microbenchmark suite that examines many low-level machine characteristics. Next, we study the behavior of the NAS Parallel Benchmarks. Finally, we evaluate the performance of several scientific computing codes. Overall results demonstrate that the SX-6 achieves high performance on a large fraction of our application suite and often significantly outperforms the cache-based architectures. However, certain classes of applications are not easily amenable to vectorization and would require extensive algorithm and implementation reengineering to utilize the SX-6 effectively. Copyright (C) 2005 John Wiley Sons, Ltd. C1 NASA, Ames Res Ctr, NAS Div, Moffett Field, CA 94035 USA. Lawrence Berkeley Natl Lab, CRD, NERSC, Berkeley, CA 94720 USA. Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08453 USA. RP Biswas, R (reprint author), NASA, Ames Res Ctr, NAS Div, Moffett Field, CA 94035 USA. EM rbiswas@nas.nasa.gov NR 17 TC 4 Z9 4 U1 0 U2 0 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1532-0626 J9 CONCURR COMP-PRACT E JI Concurr. Comput.-Pract. Exp. PD JAN PY 2005 VL 17 IS 1 BP 69 EP 93 DI 10.1002/cpe.884 PG 25 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA 883TG UT WOS:000226038000004 ER PT J AU Hoover, WG Hoover, CG AF Hoover, WG Hoover, CG TI Nonequilibrium molecular dynamics SO CONDENSED MATTER PHYSICS LA English DT Article DE second law; thermostats; chaos; fractals AB Nonequilibrium Molecular Dynamics is a powerful simulation tool. Like its equilibrium cousin, nonequilibrium molecular dynamics is based on time-reversible equations of motion. But unlike conventional mechanics, nonequilibrium molecular dynamics provides a consistent microscopic basis for the irreversible macroscopic Second Law of Thermodynamics. We recall here how fast computers led to the development of nonequilibrium molecular dynamics from the statistical mechanics of the 1950s. Computer-based theories facilitated revolutionary breakthroughs in understanding during the 1970s and 1980s. The new idea key to the nonequilibrium development was the replacement of the external thermodynamic environment by internal control variables. The new variables can control temperature, or pressure, or energy, or stress, or heat flux. These thermostat, barostat, ergostat,... variables can control and maintain nonequilibrium states. We illustrate the methods with a simple example well-suited to student exploration, a thermostatted harmonic oscillator exposed to a temperature gradient. C1 Lawrence Livermore Natl Lab, Dept Appl Sci, Livermore, CA 94551 USA. RP Hoover, WG (reprint author), Highway Contract 60,Box 565, Ruby Valley, NV 89833 USA. NR 10 TC 13 Z9 13 U1 0 U2 8 PU INST CONDENSED MATTER PHYSICS NATL ACADEMY OF SCIENCES UKRAINE PI LVIV PA 1 SVIENTSITSKII STR, LVIV, 79011, UKRAINE SN 1607-324X J9 CONDENS MATTER PHYS JI Condens. Matter Phys. PY 2005 VL 8 IS 2 BP 247 EP 260 PG 14 WC Physics, Condensed Matter SC Physics GA 962EE UT WOS:000231713000004 ER PT J AU Frink, LJD Martin, M AF Frink, LJD Martin, M TI A combined molecular simulation-molecular theory method applied to a polyatomic molecule in a dense solvent SO CONDENSED MATTER PHYSICS LA English DT Article DE configurational bias Monte Carlo; liquid state theory ID SCREENED COULOMB POTENTIALS; FUNCTIONAL THEORY; IMPLICIT SOLVENT; FREE-ENERGY; DYNAMICS SIMULATIONS; MONTE-CARLO; MODEL; SOLVATION; FORCES; PEPTIDES AB Simulation of small molecules, polymers, and proteins in dense solvents is an important class of problems both for processing the materials in liquids and, for simulation of proteins in physiologically relevant solvent states. However, these simulations are expensive and sampling is inefficient due to the ubiquitous dense solvent. Even in the absence of the dense solvent, rigorous sampling of the 'configurational space of chain molecules and polypeptides with traditional Metropolis Monte-Carlo, or molecular dynamics is difficult due to long time scales associated with equilibration. In this paper we discuss a series of configurational-bias Monte-Carlo (CBMC) simulations that use a rigorous molecular theory based implicit solvent to achieve an efficient sampling of a chain molecule in a dense liquid solvent. The molecular theory captures solvent packing around the chain molecule as well as the energetic effects of solvent-polymer interactions. It also accounts for entropic effects in the solvent. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Frink, LJD (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 23 TC 4 Z9 4 U1 0 U2 1 PU INST CONDENSED MATTER PHYSICS NATL ACADEMY OF SCIENCES UKRAINE PI LVIV PA 1 SVIENTSITSKII STR, LVIV, 79011, UKRAINE SN 1607-324X J9 CONDENS MATTER PHYS JI Condens. Matter Phys. PY 2005 VL 8 IS 2 BP 271 EP 280 PG 10 WC Physics, Condensed Matter SC Physics GA 962EE UT WOS:000231713000006 ER PT B AU Baker, GA AF Baker, GA BE Belkacem, M Dinh, PM TI Behavior of the spherical cellular model of a partially ionized gas SO Condensed Matter Theories, Vol 19 SE CONDENSED MATTER THEORIES (NOVA) LA English DT Proceedings Paper CT 27th International Workshop on Condensed Matter Theories (CMT-27) CY SEP 15-20, 2004 CL Univ Paul Sabatier, Toulouse, FRANCE SP Univ Paul Sabatier, Lab Phys Theor, Univ Paul Sabatier, Lab Phys Quant, Inst Rech Syst Atom Molecul Complex, Minist Jeunesse Educ Natl Rech, Conseil Reg Midi-Pyrenees, Conseil Gen Haute-Garonne, US Army Res Off HO Univ Paul Sabatier ID EQUATION-OF-STATE C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Baker, GA (reprint author), Los Alamos Natl Lab, Div Theoret, POB 1663, Los Alamos, NM 87545 USA. NR 12 TC 2 Z9 2 U1 0 U2 0 PU NOVA SCIENCE PUBLISHERS, INC PI HAUPPAUGE PA 400 OSER AVE, STE 1600, HAUPPAUGE, NY 11788-3635 USA BN 1-59454-308-9 J9 CONDENSED MATT THEOR PY 2005 VL 19 BP 17 EP 32 PG 16 WC Physics, Condensed Matter SC Physics GA BDR92 UT WOS:000235155800002 ER PT B AU Ortiz, G Somma, R Barnum, H Knill, E Viola, L AF Ortiz, G Somma, R Barnum, H Knill, E Viola, L BE Belkacem, M Dinh, PM TI Entanglement as an observer-dependent concept: An application to quantum phase transitions SO CONDENSED MATTER THEORIES, VOL 19 SE CONDENSED MATTER THEORIES (NOVA) LA English DT Proceedings Paper CT 27th International Workshop on Condensed Matter Theories (CMT-27) CY SEP 15-20, 2004 CL Univ Paul Sabatier, Toulouse, FRANCE SP Univ Paul Sabatier, Lab Phys Theor, Univ Paul Sabatier, Lab Phys Quant, Inst Rech Syst Atom Molecul Complex, Minist Jeunesse Educ Natl Rech, Conseil Reg Midi-Pyrenees, Conseil Gen Haute-Garonne, US Army Res Off HO Univ Paul Sabatier ID MINIMAL UNCERTAINTY; SYSTEMS C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Ortiz, G (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 24 TC 0 Z9 0 U1 0 U2 1 PU NOVA SCIENCE PUBLISHERS, INC PI HAUPPAUGE PA 400 OSER AVE, STE 1600, HAUPPAUGE, NY 11788-3635 USA BN 1-59454-308-9 J9 CONDENSED MATT THEOR PY 2005 VL 19 BP 297 EP 308 PG 12 WC Physics, Condensed Matter SC Physics GA BDR92 UT WOS:000235155800027 ER PT S AU Wu, QS Rao, NSV Iyengar, SS AF Wu, QS Rao, NSV Iyengar, SS BE Dahlberg, T Oliver, R Sen, A Xue, G TI On transport daemons for small collaborative applications over wide-area networks SO Conference Proceedings of the 2005 IEEE International Performance, Computing and Communications Conference SE IEEE International Performance, Computing and Communications Conference (IPCCC) LA English DT Proceedings Paper CT 24th IEEE International Performance, Computing and Communications Conference CY APR 07-09, 2005 CL Phoenix, AZ SP IEEE AB A number of science applications employing collaborative computations require transport methods that guarantee end-to-end performance at the application level. 71roughputs achieved by the traditional transport methods are limited to single default best-effort IP paths, which are often insufficient for the application tasks. In this paper, we present a measurement-based approach that utilizes application-level daemons at the collaborating sites to enhance the transport performance by utilizing multiple quickest paths. This method is based on a linear approximation of the effective bandwidth, and is computationally efficient and analytically tractable under fairly general conditions. We implemented and tested this method at Internet nodes, and the experimental results show significant performance improvements over the default TCP. C1 Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. RP Wu, QS (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. OI Rao, Nageswara/0000-0002-3408-5941 NR 16 TC 2 Z9 2 U1 0 U2 0 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA SN 1097-2641 BN 0-7803-8991-3 J9 IEEE IPCCC PY 2005 BP 159 EP 166 PG 8 WC Computer Science, Theory & Methods; Telecommunications SC Computer Science; Telecommunications GA BCE84 UT WOS:000228951600021 ER PT S AU Norman, AG Hanna, MC Dippo, P Levi, DH Reedy, RC Ward, JS Al-Jassim, MM AF Norman, AG Hanna, MC Dippo, P Levi, DH Reedy, RC Ward, JS Al-Jassim, MM GP IEEE TI InGaAs/GaAs QD superlattices: MOVPE growth, structural and optical characterization, and application in intermediate-band solar cells SO Conference Record of the Thirty-First IEEE Photovoltaic Specialists Conference - 2005 SE IEEE PHOTOVOLTAIC SPECIALISTS CONFERENCE LA English DT Proceedings Paper CT 31st IEEE Photovoltaic Specialists Conference CY JAN 03-07, 2005 CL Lake Buena Vista, FL SP IEEE Electron Devices Soc, IEEE AB We report on the growth and characterization of InGaAs/GaAs quantum dot (QD) superlattices for application in intermediate-band solar cells (IBSCs). Good optical and structural quality QD superlattices with up to 50 periods were obtained by metal-organic vapor-phase epitaxy (MOVPE) growth on {113}B GaAs substrates. Solar cells containing Si partial derivative-doped and undoped QD superlattice absorption regions have been fabricated and their performance compared with control cells containing undoped GaAs or undoped InGaAs/GaAs superlattice absorption regions. The QD superlattice cells exhibited photoresponses extended to longer wavelengths than the control cells. The introduction of QDs to the absorbing region of the solar cells resulted in a decrease in the open-circuit voltages and, in some cases, a decrease in the short-circuit currents of the cells. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Norman, AG (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. RI Norman, Andrew/F-1859-2010 OI Norman, Andrew/0000-0001-6368-521X NR 16 TC 10 Z9 10 U1 0 U2 4 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0160-8371 BN 0-7803-8707-4 J9 IEEE PHOT SPEC CONF PY 2005 BP 43 EP 48 DI 10.1109/PVSC.2005.1488065 PG 6 WC Energy & Fuels; Engineering, Electrical & Electronic; Physics, Applied SC Energy & Fuels; Engineering; Physics GA BCM81 UT WOS:000230047400009 ER EF