Molecular recognition in cyclodextrin complexes of amino acid derivatives: The effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study

Article Abstract:

The study of molecular recognition using solid-state supramolecular [beta]-cyclodextrin complexes is conducted by analyzing the crystal structure of a triclinic 2:2 inclusion complex of [beta]-cyclodextrin with N-acetyl-L-phenylalanine methyl ester at various temperatures between 298 and 20 K. The kinetic energy dependent changes in guest molecule conformations, orientations, and positions in the binding pocket presented by the crystal lattice are revealed.

Methyl Ether, Analysis, Crystals, Crystal structure, Amino acids

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Voltammetric characterization on the hydrophobic interaction in polysaccharide hydrogels

Article Abstract:

A study presents various cyclic voltammetric (CV) investigations and characterization of the properties of microdynamics in polysaccharide hydrogels and methyl cellulose (MC), coated on glassy carbon (GC) electrodes. The analysis of the various hydrophobic interactions show that the CV method is extremely sensitive and simple and hence provides means to probe the electron-transfer at the MC-GC interface that can be used in the fabrication of new biosensors.

Industrial Organic Chemicals, Methyl Cellulose, Usage, Voltammetry, Hydrophobic effect, Methylcellulose

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Structure and energetics of channel-forming protein-polysaccharide complexes inferred via computational statistical thermodynamics

Article Abstract:

An extensive molecular modeling study of the [beta]CD-[alpha]HL and selected mutant complexes to gain insights into the [beta]CD-[alpha]HL interaction mechanisms and to predict possible structures and energetics of the complexes, is presented. Results indicated that stability of the direct protein-adapter hydrogen bonds monitored in the course of simulation correlated well with the stability of the complex.

Hemolysis and hemolysins, Hemolysis, Ion channels, Thermal properties

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