Literature DB >> 16805636

Characterization of supramolecular polyphenol-chromium(III) clusters by molecular dynamics simulations.

Simona Bronco1, Chiara Cappelli, Susanna Monti.   

Abstract

The binding of Cr(III) with (2R,3S,4R)-(+)-3,3',4,4',7-flavanpentol in aqueous solution is investigated by atomistic molecular dynamics simulations concentrating the analysis of the sampled data on the polyphenol ability to chelate metal ions and to form large noncovalently bonded molecular and supramolecular architectures.

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Year:  2006        PMID: 16805636     DOI: 10.1021/jp061776a

Source DB:  PubMed          Journal:  J Phys Chem B        ISSN: 1520-5207            Impact factor:   2.991


  1 in total

1.  Kinetics and mechanism of the reaction between chromium(III) and 3,4-dihydroxy-phenyl-propenoic acid (caffeic acid) in weak acidic aqueous solutions.

Authors:  Vladimiros Thoma; Konstantinos Tampouris; Athinoula L Petrou
Journal:  Bioinorg Chem Appl       Date:  2008       Impact factor: 7.778

  1 in total

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