Physical Sciences and Mathematics | Open Access Articles

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.

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Age-Dependent Increase In Ortho-Tyrosine And Methionine Sulfoxide In Human Skin Collagen Is Not Accelerated In Diabetes: Evidence Against A Generalized Increase In Oxidative Stress In Diabetes, Mary C. Wells-Knecht, Timothy J. Lyons, David R. Mccance, Suzanne R. Thorpe, John W. Baynes

Faculty Publications

The glycoxidation products Nepsilon-(carboxymethyl)lysine and pentosidine increase in skin collagen with age and at an accelerated rate in diabetes. Their age-adjusted concentrations in skin collagen are correlated with the severity of diabetic complications. To determine the relative roles of increased glycation and/or oxidation in the accelerated formation of glycoxidation products in diabetes, we measured levels of amino acid oxidation products, distinct from glycoxidative modifications of amino acids, as independent indicators of oxidative stress and damage to collagen in aging and diabetes. We show that ortho-tyrosine and methionine sulfoxide are formed in concert with Nepsilon-(carboxymethyl)lysine and pentosidine during glycoxidation of collagen …

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Numerical Modeling Of Self-Propagating Polymerization Fronts: The Role Of Kinetics On Front Stability, Stanislav E. Solovyov, Victor M. Ilyashenko, John A. Pojman

Faculty Publications

Frontal propagation of a highly exothermic polymerization reaction in a liquid is studied with the goal of developing a mathematical model of the process. As a model case we consider monomers such as methacrylic acid and n-butyl acrylate with peroxide initiators, although the model is not limited to these reactants and can be applied to any system with the similar basic polymerization mechanism. A three-step reaction mechanism, including initiation, propagation and termination steps, as well as a more simple one-step mechanism, were considered. For the one-step mechanism the loss of stability of propagating front was observed as a sequence …

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Carboxymethylethanolamine, A Biomarker Of Phospholipid Modification During The Maillard Reaction In Vivo, Jesus R. Requena, Mahtab U. Ahmed, C. Wesley Fountain, Thorsten P. Degenhardt, Sharanya Reddy, Cliff Perez, Timothy J. Lyons, Alicia J. Jenkins, John W. Baynes, Suzanne R. Thorpe

Faculty Publications

Nepsilon-(Carboxymethyl)lysine (CML) is a stable chemical modification of proteins formed from both carbohydrates and lipids during autoxidation reactions. We hypothesized that carboxymethyl lipids such as (carboxymethyl)phosphatidylethanolamine (carboxymethyl-PE) would also be formed in these reactions, and we therefore developed a gas chromatography-mass spectrometry assay for quantification of carboxymethylethanolamine (CME) following hydrolysis of phospholipids. In vitro, CME was formed during glycation of dioleoyl-PE under air and from linoleoylpalmitoyl-PE, but not from dioleoyl-PE, in the absence of glucose. In vivo, CME was detected in lipid extracts of red blood cell membranes, approximately 0.14 mmol of CME/mol of ethanolamine, from control and diabetic subjects, …

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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 …

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Fragment Distributions For Highly Charged Systems, C. Williams, W. G. Lynch, C. Schwarz, M. B. Tsang, W. C. Hsi, M. J. Huang, D. R. Bowman, J. Dinius, C. K. Gelbke, D. O. Handzy, G. J. Kunde, M. A. Lisa, Graham F. Peaslee, L. Phair, A. Botvina, M-C. Lemaire, S. R. Souza, G. Van Buren, R. J. Charity, L. G. Sobotka, U. Lynen, J. Pochodzalla, H. Sann, W. Trautmann, D. Fox, R. T. De Souza, N. Carlin

Faculty Publications

Charge and transverse energy distributions for intermediate mass fragments have been extracted for central 84Kr+197Au collisions at E/A=35-400 MeV. The slopes of the measured fragment charge distributions decrease monotonically with incident energy, consistent with the expectations for highly charged systems, but not with recent critical exponent analyses. Statistical model calculations, which reproduce the experimental trends, suggest that post-breakup fragment secondary decays alter significantly the observed charge distributions. Radial expansion velocities extracted from these calculations follow the systematics of Au+Au collisions.

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Fragment Multiplicity Dependent Charge Distributions In Heavy Ion Collisions, M. B. Tsang, C. Williams, M. J. Huang, W. G. Lynch, L. Phair, D. R. Bowman, J. Dinius, C. K. Gelbke, D. O. Handzy, W. C. Hsi, G. J. Kunde, M. A. Lisa, Graham F. Peaslee, A. Botvina, M-C. Lemaire, S. R. Souza, G. Van Buren, R. J. Charity, L. G. Sobotka, C. Schwarz, U. Lynen, J. Pochodzalla, H. Sann, W. Trautmann, D. Fox, R. T. De Souza, N. Carlin

Faculty Publications

The dependence of intermediate-mass-fragment (IMF) element distributions on the multiplicity, NIMF, of detected fragments has been measured for 84Kr+197Au collisions at E/A=35, 55, 70, 100, 200, and 400 MeV. The observed dependence can be parametrized as P(NIMF|Z)∝P(Z)exp(-c⋅NIMF⋅Z), where c is a beam-energy and excitation-energy dependent parameter. Previous work indicated this parameter is zero in the liquid-gas coexistence region and positive in the gaseous phase. In contrast, we observe both negative and positive values for c, revealing the meaning of this parameter to be less straightforward than previously assumed. The magnitude of c appears nonetheless to provide a nontrivial test of …

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Sodium Nitrite Alone Protects The Brain O _I_ Microsomal Ca -Atpase Against Potassium Cyanide-Induced Neurotoxicity In Rats, Odutayo O. Odunuge, G.. A. Adenuga

Faculty Publications

The effect of a short-term oral administration of potassium cyanide (KCN) (200 ppm in diet) with or without sodium nitrite (NaNO2) pretreatment on rat brain microsomal Ca2* ATPase was investigated. The specific activity value of the enzyme significantly decreased (p<0.05) by 50% compared with control and by 63% for KCN-treated rats compared with KCN-treated rats pretreated with NaNO;,. There was no significant difference at the h = 0.05 level between the values obtained for the control and KCN-treated rats pretreated with NaNO,. These results show both that feeding lowers brain microsomal Ca2f-ATPase activity and that NaNO, has a protective role (antidote function) in that respect.

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Semiclassical Approach To The Hydrogen-Exchange Reaction- Reactive And Transition-State Dynamics, Sophya V. Garashchuk, Grossmann Frank, David Tannor

Faculty Publications

Scattering matrix elements and symmetric transition-state resonances for the collinear H ₂ + H → H + H ₂ reaction are obtained using a time-dependent approach. The correlation function between reactant channel wavepackets and product channel wavepackets is used to determine the S-matrix elements. In a similar fashion, autocorrelation functions are used to extract the positions and widths of transition-state resonances. The time propagation of the wavepackets is performed by the improved semiclassical frozen Gaussian method of Herman and Kluk, which is an initial value, uniformly converged method. The agreement between the quantum and semiclassical results is far better …

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Full-Text Articles in Physical Sciences and Mathematics

A Fluid In Contact With A Semipermeable Surface: Second-Order Integral Equation Approach, Douglas Henderson, Pawel Bryk, Stefan Sokolowski

Faculty Publications

Age-Dependent Increase In Ortho-Tyrosine And Methionine Sulfoxide In Human Skin Collagen Is Not Accelerated In Diabetes: Evidence Against A Generalized Increase In Oxidative Stress In Diabetes, Mary C. Wells-Knecht, Timothy J. Lyons, David R. Mccance, Suzanne R. Thorpe, John W. Baynes

Faculty Publications

Numerical Modeling Of Self-Propagating Polymerization Fronts: The Role Of Kinetics On Front Stability, Stanislav E. Solovyov, Victor M. Ilyashenko, John A. Pojman

Faculty Publications

Carboxymethylethanolamine, A Biomarker Of Phospholipid Modification During The Maillard Reaction In Vivo, Jesus R. Requena, Mahtab U. Ahmed, C. Wesley Fountain, Thorsten P. Degenhardt, Sharanya Reddy, Cliff Perez, Timothy J. Lyons, Alicia J. Jenkins, John W. Baynes, Suzanne R. Thorpe

Faculty Publications

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

Faculty Publications

Faculty Publications

Sodium Nitrite Alone Protects The Brain O _I_ Microsomal Ca -Atpase Against Potassium Cyanide-Induced Neurotoxicity In Rats, Odutayo O. Odunuge, G.. A. Adenuga

Faculty Publications

Semiclassical Approach To The Hydrogen-Exchange Reaction- Reactive And Transition-State Dynamics, Sophya V. Garashchuk, Grossmann Frank, David Tannor

Faculty Publications