Motivated by routing in sensor networks, Biro et al. [2] introduced the notion of beacon attraction and inverse attraction as a new variant of visibility in a simple polygon. A beacon b is a point inside a polygon P that can induce an attraction that moves a target point p greedily towards it in a trajectory that always reduces distance from p to b. The trajectory of p may require sliding p alo...

We show that dressing polar molecules with a far-off-resonant optical field leads to new types of intermolecular potentials, which undergo a crossover from the inverse-power to oscillating behavior depending on the intermolecular distance, and whose parameters can be tuned by varying the laser intensity and wavelength. We present analytic expressions for the potential energy surfaces, thereby p...

The protein transduction domain of HIV-1 TAT, TAT(48-60), is an efficient cell-penetrating peptide (CPP) that diffuses across the lipid membranes of cells despite eight cationic Arg and Lys residues. To understand its mechanism of membrane translocation against the free energy barrier, we have conducted solid-state NMR experiments to determine the site-specific conformation, dynamics, and lipid...

This chapter reviews recent studies on blends of conventional cellulose esters (CEs), such as cellulose acetate (CA), cellulose propionate (CP), and cellulose butyrate (CB), with non-crystalline vinyl (co)polymers mainly comprising the N-vinyl pyrrolidone (VP) unit. The mixing behavior of the CE/VP-containing copolymer blends is seriously affected by the chain length (i.e., carbon number) and d...

Block-localized wave function (BLW) method, which is a variant of the ab initio valence bond (VB) theory, was employed to explore the nature of resonance-assisted hydrogen bonds (RAHBs) and to investigate the mechanism of synergistic interplay between pi delocalization and hydrogen-bonding interactions. We examined the dimers of formic acid, formamide, 4-pyrimidinone, 2-pyridinone, 2-hydroxpyri...

Objective: The aim of this study was to compare the experiential avoidance, explicit and implicit attraction beliefs in obese and normal body mass index (BMI) females. Materials and Methods: This was an analytic cross sectional study. About 400 females (between 20-43 years old) were selected from nutrition and obesity clinics by convenience sampling method. The 40 items avoidance questionnaire...

the density and viscosity values at t= (293.15 to 323.15) k for binary mixtures of nitromethane with 2-propanol, 2-butanol and 2-pentanol were measured over the entire composition range. from the experimental data, excess molar volumes, thermal expansion coefficients, excess thermal expansions, partial molar volumes at infinite dilution and deviations in viscosity were calculated. the results w...

Pressure overload-induced hypertrophy is a key step leading to heart failure. The Ca(2+)-induced Ca(2+) release (CICR) process that governs cardiac contractility is defective in hypertrophy/heart failure, but the molecular mechanisms remain elusive. To examine the intermolecular aspects of CICR during hypertrophy, we utilized loose-patch confocal imaging to visualize the signaling between a sin...

Several stochastic simulations of the TIP4P [W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. 79, 926 (1983)] water octamer are performed. Use is made of the stereographic projection path integral and the Green's function stereographic projection diffusion Monte Carlo techniques, recently developed in one of our groups. The importance sampling for th...

In this work, we present a statistical mechanical analysis to elucidate the molecular-level factors responsible for the static and dynamic properties of polymer films. This analysis, which we term conformal sites theory, establishes that three dimensionless parameters play important roles in determining differences from bulk behavior for thin polymer films near to surfaces: a microscopic wettin...