Bioinspired hybrid systems based on oligothiophenes and peptides (ALA-GLY)(n): Computer-aided simulation of adsorption layersстатья
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:This review presents the results of atomistic molecular dynamic simulation during the adsorption of hybrid molecules, which are co-oligomers of thiophene and peptide (biomimetic) segments. A surface of highly ordered pyrolitic graphite (HOPG) is used as an adsorbent. The processes of self-organization are investigated as a function of the temperature and adsorption intensity for two types of hybrids, such as diblock and triblock cooligomers (with a central thiophene block). The structure of the formed adsorption layers is studied in detail. In the self-organizing associates, the emergence of possible pi stacking in the thiophene segment is considered. The motifs of the secondary structure in the peptide blocks and their evolution with increasing adsorption intensity are examined.