The design of a crown ether receptor for selective collagen binding

IF 9.9 Q1 MATERIALS SCIENCE, COMPOSITES Advanced Industrial and Engineering Polymer Research Pub Date : 2022-07-01 DOI:10.1016/j.aiepr.2022.04.001
Yihuan He
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Abstract

Collagen, crucial insoluble fibrous protein in connective tissue and extracellular matrix, plays an important role in the body structures of animals. It is most distinct for its triple helix structure. This triple helix structure can be dissolved with high temperature and enzymes. To seek out a possible solution for the stabilization of the triple-helix structure, a selective complex between a collagen model system and a macro cyclic crown ether was calculated using Spartan Student v8 Graphical User Interface, a computational molecular simulation program, to measure the energy difference. The complex reveals a lower energy than the sum of the energy of the initially separated collagen molecule and crown ether ring, indicating that the complex is more stabilized. The possible desired complex could be applied to surface materials with both a desired texture and durability.

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选择性胶原蛋白结合冠醚受体的设计
胶原蛋白是结缔组织和细胞外基质中重要的不溶性纤维蛋白,在动物机体结构中起着重要作用。它最独特的是它的三螺旋结构。这种三螺旋结构可以被高温和酶溶解。为了寻找稳定三螺旋结构的可能解决方案,使用Spartan Student v8图形用户界面计算分子模拟程序,计算胶原模型系统与宏观环冠醚之间的选择性配合物,以测量能量差。该配合物的能量低于最初分离的胶原分子和冠醚环的能量之和,表明该配合物更稳定。可能需要的复合材料可以应用于具有所需纹理和耐久性的表面材料。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Advanced Industrial and Engineering Polymer Research
Advanced Industrial and Engineering Polymer Research Materials Science-Polymers and Plastics
CiteScore
26.30
自引率
0.00%
发文量
38
审稿时长
29 days
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