The effect of ion binding in the selectivity filter of the potassium channel KcsA is investigated by combining amide I Fourier-transform infrared spectroscopy with structure-based spectral modeling. Experimental difference IR spectra between K(+)-bound KcsA and Na(+)-bound KcsA are in good qualitative agreement with spectra modeled from structural ensembles generated from molecular dynamics sim...

Industrial membranes comprised of a thin selective layer (<100 nm) requires a gutter layer (<100 nm) between the selective layer and the porous support to achieve high permeance for gas separation. The gutter layer materials must be carefully chosen to enhance overall membrane performance, i.e., high permeance and high selectivity. However, the experimental determination of the optimum gutter l...

The melanocortin receptors (MCRs) are a family of G protein-coupled receptors that are activated by melanocortin ligands derived from the proprotein, proopiomelanocortin (POMC). During the radiation of the gnathostomes, the five receptors have become functionally segregated (i.e. melanocortin 1 receptor (MC1R), pigmentation regulation; MC2R, glucocorticoid synthesis; MC3R and MC4R, energy homeo...

The oxidative coupling of methane (OCM) performance over Na-W-Mn/SiO2 at elevated pressures has been simulated by adaptive neuro fuzzy inference system (ANFIS) using reaction data gathered in an isothermal fixed bed microreactor. In the designed neuro fuzzy models, three important parameters such as methane to oxygen ratio, gas hourly space velocity (GHSV), and reaction temperature were conside...

abstract background: molecular imprinting is a method for synthesizing polymers with structure-selective adsorption properties with applications such as, selectivity binding, drug delivery systems and anti-bodies. the present study aims at optimizing the preparation of molecularly imprinted polymer (mip) against l-phenylalanine, in order to increase phenylalanine-binding in enzymatic intestinal...

HCV-induced hepatitis is one of the most debilitating diseases. The limited number of anti-HCV drugs and drug-resistance necessitate developing of new scaffolds with different mode of actions. HCV non-structural protein 5B (NS5B) is an attractive target for development of novel inhibitors of HCV replication. In this paper, new N'-arylidene-6-(benzyloxy)-4-oxo-1,4-dihydroquinoline-3-carbohydrazi...

1 Department of Computer Sciences, Rochester Institute of Technology 5 Rochester, New York 14623 6 2 Departments of Neurology, Neurobiology and Anatomy, Ophthalmology, Brain and 7 Cognitive Sciences, and The Center for Visual Science, 8 The University of Rochester Medical Center 9 Rochester, New York 14642 10 11 12 Brief Title: Modeling Optic Flow Selectivity 13 52 pages, 10 figures 14 Title 71...

A new approach towards the rapid identification of quality binders to cucurbiturils--those that combine high affinity with high selectivity for a particular homologue--was developed. The assay exploits macrocycle-specific optical fingerprints (colorimetric or fluorimetric) of carefully selected indicators dyes. The screening of a guest library revealed known (e.g., adamantane derivatives) and n...