The issue of morphology and molecular accessibility of swollen gel-type resins: an integrated inverse steric exclusion chromatography-electron spin resonance-NMR approach

Article Abstract:

A study was conducted to analyze several microporous fairly hydrophilic poly(N,N-dimethylacrylamide-methylenebisacrylamide) resins using an integrated inverse steric exclusion chromatography and electron spin resonance approach. The methods supported data on the structure on the nanometer scale and molecular accessibility of the materials in swollen state. Results indicated that water is fully confirmed in tetrahydrofuran and dichloromethane.

Molecular dynamics, Electron paramagnetic resonance, Amides, Methylene chloride, Tetrahydrofuran

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Conformational analysis of ochratoxin A by NMR spectroscopy and computational molecular modeling

Article Abstract:

A complete assignment of the proton and carbon-13 spectra of the metabolite from Aspergillus ochraceus, ochratoxin A, is studied using two-dimensional NMR spectroscopy. The conformational properties of ochratoxin A in chloroform solutions is also examined using phase -sensitive nuclear Overhauser effect spectrometry experiments and computational molecular modeling (MM2(super *) and MMFF force field programs).

Science & research, Methods, Aspergillus, Conformational analysis, Metabolites

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Site-specific interaction between 2-dibenzofuran carboxylate and beta-and gamma-cyclodextrins determined by intermolecular NOE and molecular modeling

Article Abstract:

The topologies of the complexes between 2-dibenzofuran carboxylate (DBFC) and beta- and gamma-cyclodextrins (CDs) are studied by NMR methods ((super 2)H NMR and 2D ROESY) and by molecular modeling strategies. In the case of gamma-CD, the NMR data indicate the presence of 1:1 and 2:1 complexes [(DBFC)(sub 2)/gamma-CD], with a constant for the second binding step higher than that of the first.

Spectra, Dibenzofurans, Cyclodextrins

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