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Coassembly of C13-Dipeptides: Gelations from Solutions and Precipitations
Biomacromolecules ( IF 6.2 ) Pub Date : 2020-11-17 , DOI: 10.1021/acs.biomac.0c01325
Tan Hu 1, 2 , Zhuo Zhang 1, 2 , Stephen Robert Euston 3 , Mengjie Geng 1, 2 , Siyi Pan 1, 2
Affiliation  

C13-dipeptides that did not gel on their own were found to form hydrogels when combined with mixtures (coassembly). At pH = 4.6, by mixing negatively charged C13-WD (C13-WD2– and/or C13-WD) with C13-KW or C13-YK, where the side chain of K carried positive charge, two composite hydrogels with different mechanical properties were formed. The gels exhibited various fiber structures that would account for their individual functionalities. According to molecular dynamics computer simulations, the composite systems formed spherical micelles through hydrophobic interactions that further aggregate to form gels through electrostatic interactions. The electrostatic repulsions between C13-WD molecules were interfered by insertions of C13-KW or C13-YK molecules, which result in gel formation in the composite systems. The results of computer simulations well explained the experimental observations, which provided new insights into the design and selection strategies for peptide gelators.

中文翻译:

C 13-二肽的共组装:溶液和沉淀的胶凝

当与混合物结合(共组装)时,发现自身不凝胶的C 13二肽会形成水凝胶。在pH = 4.6时,将带负电荷的C 13 -WD(C 13 -WD 2–和/或C 13 -WD )与C 13 -KW或C 13混合-YK,其中K的侧链带有正电荷,形成了两种具有不同机械性能的复合水凝胶。凝胶表现出各种纤维结构,这可以解释其各自的功能。根据分子动力学计算机模拟,复合系统通过疏水相互作用形成球形胶束,然后通过静电相互作用进一步聚集形成凝胶。C 13 -WD分子之间的静电排斥受到C 13 -KW或C 13的插入的干扰-YK分子,导致在复合系统中形成凝胶。计算机模拟的结果很好地解释了实验观察结果,为肽胶凝剂的设计和选择策略提供了新的见解。
更新日期:2020-12-14
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