Author:
Jia Xiangfeng,Chen Jingfei,Xu Wen,Wang Qi,Wei Xiaofeng,Ma Yongshan,Chen Feiyong,Zhang Guiqin
Abstract
AbstractMolecular dynamics simulation method was used to study the aggregation of Na and Ca salts in different concentrations of Naphthalene-dipeptide (2NapFF) solutions. The results show that high-valence Ca2+ triggers the formation of a gel at a certain dipeptide concentration, and the low-valence Na+ system follows the aggregation law of general surfactants. The results also show that hydrophobic and electrostatic forces are the main driving forces for the formation of dipeptide aggregates, and that hydrogen bonds do not play a major role in the formation of dipeptide solution aggregates. Hydrophobic and electrostatic effects are the main driving forces for the formation of gels in dipeptide solutions triggered by Ca2+. Electrostatic attraction drives Ca2+ to form a weak coordination with four oxygen atoms on two carboxyl groups, which causes the dipeptide molecules to form a gel with a branched network structure.
Funder
Shandong Top Talent Special Foundation
Shandong Graduate Quality Course Construction Project
Publisher
Springer Science and Business Media LLC
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