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Articles 31 - 60 of 71
Full-Text Articles in Physical Sciences and Mathematics
The Niemann-Pick Type C2 Protein Loads Isoglobotrihexosylceramide Onto Cd1d Molecules And Contributes To The Thymic Selection Of Nkt Cells, Paul B. Savage, Nicolas Schrantz, Yuval Sagiv, Yang Liu, Albert Bendelac, Luc Teyton
The Niemann-Pick Type C2 Protein Loads Isoglobotrihexosylceramide Onto Cd1d Molecules And Contributes To The Thymic Selection Of Nkt Cells, Paul B. Savage, Nicolas Schrantz, Yuval Sagiv, Yang Liu, Albert Bendelac, Luc Teyton
Faculty Publications
The Niemann-Pick type C2 (NPC2) protein is a small, soluble, lysosomal protein important for cholesterol and sphingolipid transport in the lysosome. The immunological phenotype of NPC2-deficient mice was limited to an impaired thymic selection of Valpha 14 natural killer T cells (NKT cells) and a subsequent reduction of NKT cells in the periphery. The remaining NKT cells failed to produce measurable quantities of interferon-gamma in vivo and in vitro after activation with alpha-galactosylceramide. In addition, thymocytes and splenocytes from NPC2-deficient mice were poor presenters of endogenous and exogenous lipids to CD1d-restricted Valpha 14 hybridoma cells. Importantly, we determined that similar …
Periodic Boundary Condition Induced Breakdown Of The Equipartition Principle And Other Kinetic Effects Of Finite Sample Size In Classical Hard-Sphere Molecular Dynamics Simulation, Randall B. Shirts, Scott R. Burt, Aaron M. Johnson
Periodic Boundary Condition Induced Breakdown Of The Equipartition Principle And Other Kinetic Effects Of Finite Sample Size In Classical Hard-Sphere Molecular Dynamics Simulation, Randall B. Shirts, Scott R. Burt, Aaron M. Johnson
Faculty Publications
We examine consequences of the non-Boltzmann nature of probability distributions for one-particle kinetic energy, momentum, and velocity for finite systems of classical hard spheres with constant total energy and nonidentical masses. By comparing two cases, reflecting walls (NVE or microcanonical ensemble) and periodic boundaries (NVEPG or molecular dynamics ensemble), we describe three consequences of the center-of-mass constraint in periodic boundary conditions: the equipartition theorem no longer holds for unequal masses, the ratio of the average relative velocity to the average velocity is increased by a factor of [N/(N–1)]^1/2, and the ratio of average collision energy to average kinetic energy is …
The Effect Of Protein Dielectric Coefficient On The Ionic Selectivity Of A Calcium Channel, Douglas Henderson, Dezso Boda, Monika Valisko, Bob Eisenberg, Wolfgang Nonner, Dirk Gillespie
The Effect Of Protein Dielectric Coefficient On The Ionic Selectivity Of A Calcium Channel, Douglas Henderson, Dezso Boda, Monika Valisko, Bob Eisenberg, Wolfgang Nonner, Dirk Gillespie
Faculty Publications
Calcium-selective ion channels are known to have carboxylate-rich selectivity filters, a common motif that is primarily responsible for their high Ca2+ affinity. Different Ca2+ affinities ranging from micromolar (the L-type Ca channel) to millimolar (the ryanodine receptor channel) are closely related to the different physiological functions of these channels. To understand the physical mechanism for this range of affinities given similar amino acids in their selectivity filters, we use grand canonical Monte Carlo simulations to assess the binding of monovalent and divalent ions in the selectivity filter of a model Ca channel. We use a reduced model where the electrolyte …
Mechanisms Imposing The Vbeta Bias Of V14a Natural Killer T Cells And Consequences For Microbial Glycolipid Recognition, Paul B. Savage, Dasten G. Wei, Shane A. Curran, Luc Teyton, Albert Bendelac
Mechanisms Imposing The Vbeta Bias Of V14a Natural Killer T Cells And Consequences For Microbial Glycolipid Recognition, Paul B. Savage, Dasten G. Wei, Shane A. Curran, Luc Teyton, Albert Bendelac
Faculty Publications
Mouse and human natural killer T (NKT) cells recognize a restricted set of glycosphingolipids presented by CD1d molecules, including self iGb3 and microbial alpha-glycuronosylceramides. The importance of the canonical Valpha 14-Jalpha18 TCR alphachain for antigen recognition by NKT cells is well recognized, but the mechanisms underlying the Vbeta8, Vbeta7, and Vbeta2 bias in mouse have not been explored. To study the influences of thymic selection and the constraints of pairing with Valpha 14-Jalpha 18, we have created a population of mature T cells expressing Valpha 14-Jalpha 18 TCRalpha chain in CD1d-deficient mice and studied its recognition properties in vitro and …
Erratum: "Hard Sphere Radial Distribution Function Again", Andrij Trokhymchuk, Douglas Henderson, Ivo Nezbeda, Jan Jirsak
Erratum: "Hard Sphere Radial Distribution Function Again", Andrij Trokhymchuk, Douglas Henderson, Ivo Nezbeda, Jan Jirsak
Faculty Publications
Some misprints have been found for parameters given by Eqs. 29 and 30 and the relevant equations in the Appendix.
A Modified Poisson–Boltzmann Analysis Of The Capacitance Behavior Of The Electric Double Layer At Low Temperatures, Douglas Henderson, L. B. Bhuiyan, C. W. Outhwaite
A Modified Poisson–Boltzmann Analysis Of The Capacitance Behavior Of The Electric Double Layer At Low Temperatures, Douglas Henderson, L. B. Bhuiyan, C. W. Outhwaite
Faculty Publications
The modified Poisson–Boltzmann theory is used to analyze the anomalous behavior of the electric double layer capacitance for small surface charge at low temperatures and densities. Good agreement is found with simulation and recent density-functional theory results. Negative adsorption is also found in line with theory and simulation. An unsatisfactory feature is the relatively poor structure in this region due to the inherent approximations in the theory. This feature is unimportant in relation to the capacitance results but has implications when calculating adsorption properties.
Hard-Sphere Radial Distribution Function Again, Andrij Trokhymchuk, Douglas Henderson, Ivo Nezbeda, Jan Jirsak
Hard-Sphere Radial Distribution Function Again, Andrij Trokhymchuk, Douglas Henderson, Ivo Nezbeda, Jan Jirsak
Faculty Publications
A theoretically based closed-form analytical equation for the radial distribution function, g(r), of a fluid of hard spheres is presented and used to obtain an accurate analytic representation. The method makes use of an analytic expression for the short- and long-range behaviors of g(r), both obtained from the Percus-Yevick equation, in combination with the thermodynamic consistency constraint. Physical arguments then leave only three parameters in the equation of g(r) that are to be solved numerically, whereas all remaining ones are taken from the analytical solution of the Percus-Yevick equation.
Temperature Dependence Of The Double Layer Capacitance For The Restricted Primitive Model Of An Electrolyte Solution From A Density Functional Approach, Douglas Henderson, J. Reszko-Zygmunt, Stefan Sokolowski, Dezso Boda
Temperature Dependence Of The Double Layer Capacitance For The Restricted Primitive Model Of An Electrolyte Solution From A Density Functional Approach, Douglas Henderson, J. Reszko-Zygmunt, Stefan Sokolowski, Dezso Boda
Faculty Publications
We apply a different version of the density functional theory, given by Pizio, Patrykiejew, and Sokolowski [J. Chem. Phys. 121, 11957 (2004)], for a nonuniform restricted primitive model of an electrolyte solution to evaluate the temperature dependence of the capacitance of an electric double layer. We show that this theory is capable of reproducing the computer simulation data at a quantitative level. In particular, the reversal of the temperature dependence of the capacitance at low temperatures is predicted. This phenomenon has been difficult to predict from theory. Further, this theory also leads to an accurate description of the double layer …
Rapid And Convenient Method For Preparing Masters For Microcontact Printing With 1–12 Μm Features, Lloyd W. Zilch, Ghaleb A. Husseini, Yit-Yian Lua, Michael V. Lee, Kevin R. Gertsch, Bennion R. Cannon, Robert M. Perry, Eric T. Sevy, Matthew C. Asplund, Adam T. Woolley, Matthew R. Linford
Rapid And Convenient Method For Preparing Masters For Microcontact Printing With 1–12 Μm Features, Lloyd W. Zilch, Ghaleb A. Husseini, Yit-Yian Lua, Michael V. Lee, Kevin R. Gertsch, Bennion R. Cannon, Robert M. Perry, Eric T. Sevy, Matthew C. Asplund, Adam T. Woolley, Matthew R. Linford
Faculty Publications
Mechanical scribing can be employed to create surfaces with recessed features. Through replica molding elastomeric copies of these scribed surfaces are created that function as stamps for microcontact printing. It is shown that this new method for creating masters for microcontact printing can be performed with a computer-controlled milling machine (CNC), making this method particularly straightforward and accessible to a large technical community that does not need to work in a particle free environment. Thus, no clean room, or other specialized equipment is required, as is commonly needed to prepare masters. Time-of-flight secondary ion mass spectrometry confirms surface pattering by …
Evidence Of Linear Lattice Expansion And Covalency Enhancement In Rutile Tio2 Nanocrystals, Guangshe Li, Juliana Boerio-Goates, Brian F. Woodfield, Liping Li
Evidence Of Linear Lattice Expansion And Covalency Enhancement In Rutile Tio2 Nanocrystals, Guangshe Li, Juliana Boerio-Goates, Brian F. Woodfield, Liping Li
Faculty Publications
Lattice variations and bonding characteristics in rutile TiO2 nanocrystals were examined by x-ray diffraction and x-ray photoelectron spectroscopy. With a reduction in the physical dimensions, rutile TiO2 nanocrystals show a linear lattice expansion and an anomalous covalency enhancement in apparent contradiction to the ionicity increase in BaTiO3 and CuO nanocrystals as reported recently by S. Tsunekawa et al. [Phys. Rev. Lett. 2000, 85, 3440] and V. R. Palkar et al. [Phys. Rev. B 1996, 53, 2167]. A surface defect dipole model is proposed to explain these physical phenomena in terms of the strong interactions among the surface dipoles that produce …
Identification Of An Il-17-Producing Nk1.1neg Inkt Cell Population Involved In Airway Neutrophilia, Paul B. Savage, Marie-Laure Michel, Alexandre Castro Keller, Christophe Paget, Masakazu Fujio, Francois Trottein, Chi-Huey Wong, Elke Schneider, Michael Dy, Maria C. Leite-De-Moraes
Identification Of An Il-17-Producing Nk1.1neg Inkt Cell Population Involved In Airway Neutrophilia, Paul B. Savage, Marie-Laure Michel, Alexandre Castro Keller, Christophe Paget, Masakazu Fujio, Francois Trottein, Chi-Huey Wong, Elke Schneider, Michael Dy, Maria C. Leite-De-Moraes
Faculty Publications
Invariant natural killer T (iNKT) cells are an important source of both T helper type 1 (Th1) and Th2 cytokines, through which they can exert beneficial, as well as deleterious, effects in a variety of inflammatory diseases. This functional heterogeneity raises the question of how far phenotypically distinct subpopulations are responsible for such contrasting activities. In this study, we identify a particular set of iNKT cells that lack the NK1.1 marker (NK1.1neg) and secrete high amounts of interleukin (IL)-17 and low levels of interferon (IFN)-{gamma} and IL-4. NK1.1neg iNKT cells produce IL-17 upon synthetic ({alpha}-galactosylceramide [{alpha}-GalCer] or PBS-57), as well …
Self-Aligned Mechanical Attachment Of Carbon Nanotubes To Silicon Dioxide Structures By Selective Silicon Dioxide Chemical-Vapor Deposition, Jed D. Whittaker, Ghaleb A. Husseini, Matthew A. Linford, Robert C. Davis, Markus Brink
Self-Aligned Mechanical Attachment Of Carbon Nanotubes To Silicon Dioxide Structures By Selective Silicon Dioxide Chemical-Vapor Deposition, Jed D. Whittaker, Ghaleb A. Husseini, Matthew A. Linford, Robert C. Davis, Markus Brink
Faculty Publications
A self-aligned thin-film deposition technique was developed to mechanically attach carbon nanotubes to surfaces for the fabrication of structurally robust nanotube-based nanomechanical devices. Single-walled carbon nanotubes were grown by thermal chemical-vapor deposition (CVD) across 150-nm-wide SiO2 trenches. The nanotubes were mechanically attached to the trench tops by selective silicon tetraacetate-based SiO2 CVD. No film was deposited on the nanotubes where they were suspended across the trenches.
Nonsteroidal Anti-Inflammatory Drugs, Acetaminophen, Cyclooxygenase 2, And Fever, Daniel L. Simmons, David Wagner, Kenneth Westover
Nonsteroidal Anti-Inflammatory Drugs, Acetaminophen, Cyclooxygenase 2, And Fever, Daniel L. Simmons, David Wagner, Kenneth Westover
Faculty Publications
Nonsteroidal anti-inflammatory drugs (NSAIDs) are frequently used antipyretic agents that most probably exert their antifever effect by inhibiting cyclooxygenase (COX)–2. Thus, COX-2–selective drugs or null mutation of the COX-2 gene reduce or prevent fever. Acetaminophen is antipyretic and analgesic, as are NSAIDs, but it lacks the anti-inflammatory and anticoagulatory properties of these drugs. This has led to the speculation that a COX variant exists that is inhibitable by acetaminophen. An acetaminophen-inhibitable enzyme is inducible in the mouse J774.2 monocyte cell line. Induction of acetaminophen-inhibitable prostaglandin E2 synthesis parallels induction of COX-2. Thus, inhibition of pharmacologically distinct COX-2 enzyme activity by …
The Mean Spherical Approximation For A Dipolar Yukawa Fluid, Douglas Henderson, Dezso Boda, Istvan Szalai, Kwong-Yu Chan
The Mean Spherical Approximation For A Dipolar Yukawa Fluid, Douglas Henderson, Dezso Boda, Istvan Szalai, Kwong-Yu Chan
Faculty Publications
The dipolar hard sphere fluid (DHSF) is a useful model of a polar fluid. However, the DHSF lacks a vapor–liquid transition due to the formation of chain-like structures. Such chains are not characteristic of real polar fluids. A more realistic model of a polar fluid is obtained by adding a Lennard–Jones potential to the intermolecular potential. Very similar results are obtained by adding a Yukawa potential, instead of the Lennard–Jones potential. We call this fluid the dipolar Yukawa fluid (DYF). We show that an analytical solution of the mean spherical approximation (MSA) can be obtained for the DYF. Thus, the …
Monte Carlo Study Of The Capacitance Of The Double Layer In A Model Molten Salt, Douglas Henderson, Dezso Boda, Kwong-Yu Chan
Monte Carlo Study Of The Capacitance Of The Double Layer In A Model Molten Salt, Douglas Henderson, Dezso Boda, Kwong-Yu Chan
Faculty Publications
Monte Carlo simulations are reported for charged hard spheres at high density near a charged wall. This system is a simple model for a molten salt double layer. Unfortunately, the reduced temperatures that correspond to experiment are very small. This results in a large Boltzmann factor. As a result, we are unable to obtain meaningful results for such low values and report results only for moderately low values of the reduced temperature. Even so, our results should be a useful benchmark. Further, we are able to give a qualitative answer to an interesting question. We find that at low temperatures …
Some Aspects Of The Adsorption Of A Lennard-Jones Gas On A Rough Surface, Douglas Henderson, Pawel Bryk, Stefan Sokolowski
Some Aspects Of The Adsorption Of A Lennard-Jones Gas On A Rough Surface, Douglas Henderson, Pawel Bryk, Stefan Sokolowski
Faculty Publications
We study the adsorption, including wetting, of a Lennard-Jones gas on a rough surface consisting of rough layer on a smooth substrate with which the gas interacts via a 9-3 potential. The rough layer is two molecular diameters thick and consists of a disordered quenched matrix of hard spheres. As well as interacting with the other matrix spheres by the hard-sphere potential, the matrix molecules interact with the gas molecules by the hard-sphere potential. Hence, on average, the degree to which the gas molecules can approach the substrate depends only on the density of the matrix layer. The density of …
Monte Carlo Simulation Of An Ion-Dipole Mixture As A Model Of An Electrical Double Layer, Douglas Henderson, Dezso Boda, Kwong-Yu Chan
Monte Carlo Simulation Of An Ion-Dipole Mixture As A Model Of An Electrical Double Layer, Douglas Henderson, Dezso Boda, Kwong-Yu Chan
Faculty Publications
Canonical Monte Carlo simulations were performed for a nonprimitive model of an electrical double layer. The ions and the solvent molecules are modeled as charged and dipolar hard spheres, respectively, while the electrode as a hard, impenetrable wall carrying uniform surface charge. We found that the ion-dipole model gives a reasonable description of the double layer for partially charged ions with small to moderate dipole moments, or equivalently for an "effective" dielectric constant. Density, polarization and mean electrostatic potential profiles are reported. Strong layering structure, and at higher charges, charge inversion in the second layer were found. With appropriate choices …
Solute-Solvent Pair Distribution Functions In Highly Asymmetric Additive Hard Sphere Mixtures, Douglas Henderson, Kwong-Yu Chan
Solute-Solvent Pair Distribution Functions In Highly Asymmetric Additive Hard Sphere Mixtures, Douglas Henderson, Kwong-Yu Chan
Faculty Publications
Contact values for the solute-solvent pair distribution function in an additive hard sphere mixture, as computed from the Henderson-Chan (HC) formulas, are compared with the recent Monte Carlo (MC) data and formula of Matyushov and Ladanyi (ML) [J. Chem. Phys. 107, 5815 (1997)]. The agreement is found to be excellent. The negative finding of ML is due to a misprint in one of the HC publications. We find the HC formula to be superior to the ML formula when compared to our MC data [Mol. Phys. 91, 1137 (1997)] for the case where the ratio of diameters is large and …
A Fluid In Contact With A Semipermeable Surface: Second-Order Integral Equation Approach, Douglas Henderson, Pawel Bryk, Stefan Sokolowski
A Fluid In Contact With A Semipermeable Surface: Second-Order Integral Equation Approach, Douglas Henderson, Pawel Bryk, Stefan Sokolowski
Faculty Publications
An integral equation approach for a binary hard-sphere mixture interacting with a planar semipermeable wall (membrane) is formulated by using the second-order nonuniform or pair Ornstein–Zernike equation as well as the usual singlet Ornstein–Zernike equation. The results of the pair theory are compared with those obtained from the singlet theory and with computer simulation data. The pair approach is more accurate than the singlet theory.
Grand Canonical Monte Carlo And Modified Singlet Integral Equations For The Density Profile Of A Yukawa Fluid Near A Planar Wall, Douglas Henderson, Wilmer Olivares-Rivas, Leo Degreve, Jacqueline Quintana
Grand Canonical Monte Carlo And Modified Singlet Integral Equations For The Density Profile Of A Yukawa Fluid Near A Planar Wall, Douglas Henderson, Wilmer Olivares-Rivas, Leo Degreve, Jacqueline Quintana
Faculty Publications
Results for the density profile for Yukawa molecules near a hard wall and an exponential attractive wall are presented for Grand Canonical Monte Carlo (GCMC) simulations, for the singlet hypernetted chain (HNC) integral equation and for a modified version of the Lovett–Mou–Buff–Wertheim (LMBW-1) which uses the exact contact value theorem. The results of the standard singlet HNC are quite poor. If the LMBW equation is modified (but still using the bulk direct correlation function) the results at high temperature become reasonable. However, the results at low temperatures, close to the bulk coexistence curve, are only a partial improvement. The contact …
A New High Pressure Sapphire Nuclear Magnetic Resonance Cell, Shi Bai, Craig M. Taylor, Charles L. Mayne, Ronald J. Pugmire, David M. Grant
A New High Pressure Sapphire Nuclear Magnetic Resonance Cell, Shi Bai, Craig M. Taylor, Charles L. Mayne, Ronald J. Pugmire, David M. Grant
Faculty Publications
A new version of a single-crystal sapphire high pressure nuclear magnetic resonance (NMR) cell is described that is capable of controlling the sample pressure independent of the temperature. A movable piston inside the cell adjusts and controls the sample pressure from ambient conditions to 200 atm within plus or minus 0.3 atm. The linewidth at half-height for a 13C spectrum of carbon dioxide at 15degrees C and 57.8 atm is found to be 0.5 Hz. The carbon dioxide gas/liquid phase transition is clearly observed by measuring 13C chemical shifts as the sample pressure approaches equilibrium. The time required for this …
New Optical Cell Design For Laser Flash Photolysis Studies In Supercritical Fluids, Steven R. Goates, Milton L. Lee, Qin Ji, Edward M. Eyring, Rudi Van Eldik, Kedika Bal Reddy
New Optical Cell Design For Laser Flash Photolysis Studies In Supercritical Fluids, Steven R. Goates, Milton L. Lee, Qin Ji, Edward M. Eyring, Rudi Van Eldik, Kedika Bal Reddy
Faculty Publications
A high-pressure optical cell has been designed that achieves an effective separation between the chemical sample and the pressurizing medium and system. This design limits possible sample contamination and catalytic effects under supercritical fluid sample conditions. Laser flash photolysis experiments were carried out on molybdenum hexacarbonyl dissolved in supercritical CO2. The thermal ring closure reaction of the species Mo(CO)5L, where L is 2,2- bipyridine was found to proceed at rates comparable to those measured previously in liquid benzene or toluene. Much larger activation volumes were found for the reaction in supercritical CO2 than in liquid toluene.
Semiclassical Quantization Of A Nonintegrable System: Pushing The Fourier Method Into The Chaotic Regime, Karl Sohlberg, Randall B. Shirts
Semiclassical Quantization Of A Nonintegrable System: Pushing The Fourier Method Into The Chaotic Regime, Karl Sohlberg, Randall B. Shirts
Faculty Publications
Semiclassical Einstein–Brillouin–Keller (EBK) quantization of the nonintegrable Hénon–Heiles Hamiltonian succeeds using the Fourier transform method of Martens and Ezra. Two innovations are required for this success: (1) the use of tunneling corrected quantizing actions obtained from an approximate, one-dimensional Hamiltonian and (2) exploitation of intermediate-time approximate quasiperiodicity or "vague tori'' wherein the Fourier transform of chaotic motion over 10–100 vibrational periods allows the determination of frequencies and amplitudes which approximate motion during the time interval. Approximate tori, actions, and EBK energy levels are then straightforward. We use an interpolation method to smooth over small resonance zones that are not expected …
The Structure And Dynamics Of The Cs2 Molecular Ion, Karl Sohlberg, Chan Yibai
The Structure And Dynamics Of The Cs2 Molecular Ion, Karl Sohlberg, Chan Yibai
Faculty Publications
Several common elementary methods of computing molecular properties, prerequisite to molecular dynamics studies, are tested for their validity for CS+2. Judged sufficiently accurate, these methods are then used to aid in investigating the collisionally activated dissociation of CS+2 upon impact with xenon. Rice–Ramsperger–Kassel–Marcus (RRKM) unimolecular decay rate calculations are presented and compared to experimental studies employing collisional activation. RRKM theory is shown to reproduce the experimental results for collision energies near threshold. When corrected for vibrational anharmonicity, the RRKM calculation shows agreement with the experimental results over a slightly wider range of energies. A discussion is given on the applicability …
High-Temperature Battery Calorimeter, L. D. Hansen, R. H. Hart, D. M. Chen, H. F. Gibbard
High-Temperature Battery Calorimeter, L. D. Hansen, R. H. Hart, D. M. Chen, H. F. Gibbard
Faculty Publications
A battery calorimeter was built for the measurement of thermal energy generation of high-temperature lithium–aluminum/iron sulfide battery cells, which are under development for electric vehicle propulsion and other energy storage applications. The calorimeter was designed with a temperature range of 400˚–500˚C, a detection limit of 1 mW, and an upper limit of heat flow of 50 W. The results of measurements on 200-Ah LiAl/FeS cells were in excellent agreement with the predictions of thermodynamic calculations based on precise measurements of the total cell polarization and the temperature coefficient of the emf. Details of the construction and operation principles of this …
Heating-Effect Minimization In Dye Lasers, Kenneth Lee Matheson, James M. Thorne
Heating-Effect Minimization In Dye Lasers, Kenneth Lee Matheson, James M. Thorne
Faculty Publications
Optical pumping of dye lasers deposits heat nonuniformly in the active medium. Because the refractive index of a liquid or gas is a function of temperature, gradients are created which refract the laser beam. This effect is sometimes serious enough to quench laser action. In this paper, we evaluate the effects caused by optical pumping with a coaxial flashlamp and suggest ultraviolet absorbers and wavelength shifters as materials for minimizing the problem
An Emulsion Dye Laser, Kenneth Lee Matheson, James M. Thorne
An Emulsion Dye Laser, Kenneth Lee Matheson, James M. Thorne
Faculty Publications
A laser dye which is insoluble in water has been dissolved in hexane and emulsified in a water matrix. When pumped with a nitrogen laser, this mixture was observed to lase. The emulsion is superior to a simple hexane solution because the excellent thermo-optical properties of the water matrix help prevent refractive-index gradients from degrading laser performance. This is a useful characteristic for flash-pumped dye lasers, laser-pumped dye lasers, and liquid filters. Another type of solvent system, a critical solution, is also discussed. For certain dyes, a critical solution has even better thermo-optical properties because of its ability to absorb …
Intermolecular Potential Surfaces From Electron Gas Methods. Ii. Angle And Distance Dependence Of The A’ And A” Ar–No(X^2ii) Interactions, Glen C. Nielson, Gregory A. Parker, Russell T. Pack
Intermolecular Potential Surfaces From Electron Gas Methods. Ii. Angle And Distance Dependence Of The A’ And A” Ar–No(X^2ii) Interactions, Glen C. Nielson, Gregory A. Parker, Russell T. Pack
Faculty Publications
Angle dependent intermolecular potential energy surfaces for the two states (2A’ and 2A”) that arise from the interaction of ground (X^2II) state NO with Ar are calculated using the electron gas model to obtain the short range interactions. The average and difference of the two interaction energies are fit to analytic forms convenient for use in scattering calculations and joined smoothly onto the long range van der Waals potential previously determined. The results, which appear to be of useful accuracy, and the applicability of the electron gas model to such open shell–closed shell interactions are discussed.
Esr Study Of Free Radicals In Irradiated Single Crystals Of Potassium Hydroxylamine Disulfonate, B. J. Wilson, Robert W. Holmberg
Esr Study Of Free Radicals In Irradiated Single Crystals Of Potassium Hydroxylamine Disulfonate, B. J. Wilson, Robert W. Holmberg
Faculty Publications
Two free radicals formed when single crystals of potassium hydroxylamine disulfonate are irradiated with gamma rays at 77degrees K were studied by ESR. The ESR spectra result from a predominant center (radical A) exhibiting large 14N and 1H hyperfine splittings and from lesser amounts of Fremy's radical [O-dotN(SO3)2-2]. The g and hyperfine tensors of these radicals have been evaluated and are discussed. Radical A, whose identity remains in doubt, may be regarded as the precursor to Fremy's radical; on warming its lines decay and those of Fremy's radical are formed. Lines from radical A decrease in strength and those of …
Van Der Waals Interactions Of Carbon Monoxide, Gregory A. Parker, Russell T. Pack
Van Der Waals Interactions Of Carbon Monoxide, Gregory A. Parker, Russell T. Pack
Faculty Publications
Pade approximant methods and experimental frequency dependent polarizabilities are used to calculate reliable van der Waals C6 coefficients for the interaction of CO with He, Ne, Ar, Kr, Xe, H, Li, Na, K, Rb, Cs, H2, N2, O2, CO2, and CO. Error bounds are given for the C6 coefficients and for the CO oscillator strength sums.