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Series

2004

Biological and Chemical Physics

Articles 1 - 10 of 10

Full-Text Articles in Physics

Spatial Distribution Of Competing Ions Around Dna In Solution, Kurt Andresen, R. Das, Hye Yoon Park, H. Smith, Lisa W. Kwok, Jessica S. Lamb, E. J. Kirkland, D. Herschlag, K. D. Finkelstein, Lois Pollack Dec 2004

Spatial Distribution Of Competing Ions Around Dna In Solution, Kurt Andresen, R. Das, Hye Yoon Park, H. Smith, Lisa W. Kwok, Jessica S. Lamb, E. J. Kirkland, D. Herschlag, K. D. Finkelstein, Lois Pollack

Physics and Astronomy Faculty Publications

The competition of monovalent and divalent cations for proximity to negatively charged DNA is of biological importance and can provide strong constraints for theoretical treatments of polyelectrolytes. Resonant x-ray scattering experiments have allowed us to monitor the number and distribution of each cation in a mixed ion cloud around DNA. These measurements provide experimental evidence to support a general theoretical prediction: the normalized distribution of each ion around polyelectrolytes remains constant when ions are mixed at different ratios. In addition, the amplitudes of the scattering signals throughout the competition provide a measurement of the surface concentration parameter that predicts the …

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Probing Cation Antisite Disorder In Gd2ti2o7 Pyrochlore By Site-Specific Nexafs And Xps, Ponnusamy Nachimuthu, S. Thevuthasan, Mark H. Engelhard, W. J. Weber, D. K. Shuh, N. M. Hamdan, B. S. Mun, E. M. Adams, D. E. Mccready, V. Shutthanandan, Dennis W. Lindle, G. Balakrishnan, R. C. Ewing Sep 2004

Probing Cation Antisite Disorder In Gd2ti2o7 Pyrochlore By Site-Specific Nexafs And Xps, Ponnusamy Nachimuthu, S. Thevuthasan, Mark H. Engelhard, W. J. Weber, D. K. Shuh, N. M. Hamdan, B. S. Mun, E. M. Adams, D. E. Mccready, V. Shutthanandan, Dennis W. Lindle, G. Balakrishnan, R. C. Ewing

Chemistry and Biochemistry Faculty Research

Disorder in Gd2Ti2O7 is investigated by near-edge x-ray-absorption fine structure (NEXAFS) and x-ray photoelectron spectroscopy (XPS). NEXAFS shows Ti4+ ions occupy octahedral sites with a tetragonal distortion induced by vacant oxygen sites. O 1s XPS spectra obtained with a charge neutralization system from Gd2Ti2O7(100) and the Gd2Ti2O7 pyrochlore used by Chen et al. [Phys. Rev. Lett. 88, 105901 (2002)], both yielded a single peak, unlike the previous result on the latter that found two peaks. The current results give no evidence for …

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Spectroscopic And Microscopic Investigation Of The Corrosion Of 316/316l Stainless Steel By Lead-Bismuth Eutectic (Lbe) At Elevated Temperatures: Importance Of Surface Preparation, Allen L. Johnson, Denise Parsons, Julia Manzerova, Dale L. Perry, Daniel Koury, Brian D. Hosterman, John Farley Jul 2004

Spectroscopic And Microscopic Investigation Of The Corrosion Of 316/316l Stainless Steel By Lead-Bismuth Eutectic (Lbe) At Elevated Temperatures: Importance Of Surface Preparation, Allen L. Johnson, Denise Parsons, Julia Manzerova, Dale L. Perry, Daniel Koury, Brian D. Hosterman, John Farley

Transmutation Sciences Materials (TRP)

The corrosion of steel by lead–bismuth eutectic (LBE) is an important issue in proposed nuclear transmutation schemes. Russian scientists at the IPPE exposed steel samples to oxygen-controlled LBE at temperatures up to 823 K and exposure times up to 3000 h. We have characterized these post-exposure steel samples and unexposed controls, using scanning electron microscopy (SEM), energy-dispersive X-ray analysis (EDAX) and X-ray photoelectron spectroscopy (XPS). Previous researchers have investigated the corrosion by LBE of steel of varying composition. In the present work, we compared two samples having the same composition (standard nuclear grade 316/316L) but different surface preparation: a cold-rolled …

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Growth And Transport Properties Of Complementary Germanium Nanowire Field Effect Transistors, Andrew B. Greytak, Lincoln J. Lauhon, Mark S. Gudiksen, Charles M. Lieber May 2004

Growth And Transport Properties Of Complementary Germanium Nanowire Field Effect Transistors, Andrew B. Greytak, Lincoln J. Lauhon, Mark S. Gudiksen, Charles M. Lieber

Faculty Publications

n- and p-type Ge nanowires were synthesized by a multistep process in which axial elongation, via vapor–liquid–solid (VLS) growth, and doping were accomplished in separate chemical vapor deposition steps. Intrinsic, single-crystal, Ge nanowires prepared by Au nanocluster-mediated VLS growth were surface-doped in situ using diborane or phosphine, and then radial growth of an epitaxial Ge shell was used to cap the dopant layer. Field-effect transistors prepared from these Ge nanowires exhibited on currents and transconductances up to 850 µA/µm and 4.9 µA/V, respectively, with device yields of >85%.

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Double Excitations Within Time-Dependent Density Functional Theory Linear Response, Neepa T. Maitra, Fan Zhang, Robert J. Cave, Kieron Burke Apr 2004

Double Excitations Within Time-Dependent Density Functional Theory Linear Response, Neepa T. Maitra, Fan Zhang, Robert J. Cave, Kieron Burke

All HMC Faculty Publications and Research

Within the adiabatic approximation, time-dependent density functional theory yields only single excitations. Near states of double excitation character, the exact exchange–correlation kernel has a strong dependence on frequency. We derive the exact frequency-dependent kernel when a double excitation mixes with a single excitation, well separated from the other excitations, in the limit that the electron–electron interaction is weak. Building on this, we construct a nonempirical approximation for the general case, and illustrate our results on a simple model.

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State-To-State Rotational Relaxation Rate Constants For Co+Ne From Ir-Ir Double-Resonance Experiments: Comparing Theory To Experiment, David A. Hostutler, Tony C. Smith, Gordon D. Hager, George C. Mcbane, Michael C. Heaven Jan 2004

State-To-State Rotational Relaxation Rate Constants For Co+Ne From Ir-Ir Double-Resonance Experiments: Comparing Theory To Experiment, David A. Hostutler, Tony C. Smith, Gordon D. Hager, George C. Mcbane, Michael C. Heaven

Peer Reviewed Articles

IR-IR double-resonance experiments were used to study the state-to-state rotational relaxation of CO with Ne as a collision partner. Rotational levels in the range Ji=2-9 were excited and collisional energy transfer of population to the levels Jf=2-8 was monitored. The resulting data set was analyzed by fitting to numerical solutions of the master equation. State-to-state rate constant matrices were generated using fitting law functions. Fitting laws based on the modifed exponential gap (MEG) and statistical power exponential gap (SPEG) models were used; the MEG model performed better than the SPEG model. A rate constant matrix was …

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Performance Characteristics Of Beamline 6.3.1 From 200 Ev To 2000 Ev At The Advanced Light Source, Ponnusamy Nachimuthu, J. H. Underwood, C. D. Kemp, Eric M. Gullikson, Dennis W. Lindle, David K. Shuh, Rupert C. Perera Jan 2004

Performance Characteristics Of Beamline 6.3.1 From 200 Ev To 2000 Ev At The Advanced Light Source, Ponnusamy Nachimuthu, J. H. Underwood, C. D. Kemp, Eric M. Gullikson, Dennis W. Lindle, David K. Shuh, Rupert C. Perera

Chemistry and Biochemistry Faculty Research

Bend magnet beamline 6.3.1 at the Advanced Light Source operates from 200 eV to 2000 eV, primarily used for x-ray absorption fine structure investigations. The beamline optics consist of a compact, entrance-slitless, Hettrick-Underwood type variable-line-spacing plane-grating monochromator and refocusing mirrors to provide a 25 μm × 500 μm spot at the focal point in the reflectometer end station. Wavelength is scanned by the simple rotation of the grating and illuminates a fixed exit slit. The LabView based beamline control and data acquisition computer code has been implemented to provide a convenient interface to the user. The dedicated end station is …

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Bohmian Dynamics On Subspaces Using Linearized Quantum Force, V. A. Rassolov, Sophya V. Garashchuk Jan 2004

Bohmian Dynamics On Subspaces Using Linearized Quantum Force, V. A. Rassolov, Sophya V. Garashchuk

Faculty Publications

In the de Broglie–Bohm formulation of quantum mechanics the time-dependent Schrödinger equation is solved in terms of quantum trajectories evolving under the influence of quantum and classical potentials. For a practical implementation that scales favorably with system size and is accurate for semiclassical systems, we use approximate quantum potentials. Recently, we have shown that optimization of the nonclassical component of the momentum operator in terms of fitting functions leads to the energy-conserving approximate quantum potential. In particular, linear fitting functions give the exact time evolution of a Gaussian wave packet in a locally quadratic potential and can describe the dominant …

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Geminal Model Chemistry Ii. Perturbative Corrections, V. A. Rassolov, F. Xu, Sophya V. Garashchuk Jan 2004

Geminal Model Chemistry Ii. Perturbative Corrections, V. A. Rassolov, F. Xu, Sophya V. Garashchuk

Faculty Publications

We introduce and investigate a chemical model based on perturbative corrections to the product of singlet-type strongly orthogonal geminals wave function. Two specific points are addressed (i) Overall chemical accuracy of such a model with perturbative corrections at a leading order; (ii) Quality of strong orthogonality approximation of geminals in diverse chemical systems. We use the Epstein–Nesbet form of perturbation theory and show that its known shortcomings disappear when it is used with the reference Hamiltonian based on strongly orthogonal geminals. Application of this model to various chemical systems reveals that strongly orthogonal geminals are well suited for chemical models, …

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Studies In Cardiac Defribrillation, Eamonn Mckenna Jan 2004

Studies In Cardiac Defribrillation, Eamonn Mckenna

Masters

Cardiac disease resulting in cardiac arrest is one of the most common fatal diseases in the developed world. Defibrillation is the medical procedure used to correct the irregular cardiac rhythm (ventricular fibrillation (VF)) which is very often detected in patients suffering cardiac arrest. In the work reported in this thesis, two aspects of the defibrillation of patients in VF were examined. The first area of investigation concentrated on the use of multiple defibrillation electrodes to be used during closed chest (transthoracic) defibrillation. This study was carried out in a saline bath and centred on “focusing” electric fields from perimeter electrodes …

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