分子尺度下研究海洋污损生物的吸附机理

doi:10.11896/cldb.21120126

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Abstract Biological pollution is a problem that must be faced in the development of marine resources. The research on the mechanism of biofouling adhesion can provide important guidance for the surface treatment process of marine related equipment. This work used molecular dynamics to simulate the adsorption strength and adsorption sites of peptides p5, p6 and p13 composed of amino acid frequently occurring in barnacle adhesive proteins on the surface of epoxy resin. Peptides were adsorbed on the surface of epoxy resin through -SH, -CH₃ and peptide chain backbone. The more adsorption sites, the greater the adsorption strength. With the number of adsorption sites fixed, the adsorption strength is directly related to the conformation of the peptide chain. The higher the conformational content of PPII in the peptide molecule, the higher the intramolecular hydrogen bond potential barrier in the secondary structure that needs to be overcome, resulting in a more positive adsorption energy and a decrease in the adsorption affinity. Under different environmental conditions (e.g., temperature, ion concentration), the conformation of peptide molecules can also change, which further affects the adsorption affinity. This work revealed the adsorption mechanism of fouling organisms from the perspective of protein molecular conformation, which can be extended to other marine biofouling systems, providing a theoretical basis for the design of antifouling coatings.

Key words： biological fouling molecular dynamics adsorption site adsorption strength protein conformation

Published: 10 April 2023 Online: 2023-04-07

CLC number:

O647.4

Fund:Fundamental Research Funds for the Central Universities (3132021188), National Natural Science Foundation of China (21802014), and China Postdoctoral Science Foundation (2020M670718).

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	Articles by authors
	SHI Hongyu
	XING Jiqi
	XUE Peihong
	LIU Juan

Cite this article:

SHI Hongyu,XING Jiqi,XUE Peihong, et al. Adsorption Mechanism of Marine Biofouling Under Atomic Scale[J]. Materials Reports, 2023, 37(7): 21120126-7.

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http://www.mater-rep.com/EN/10.11896/cldb.21120126 OR http://www.mater-rep.com/EN/Y2023/V37/I7/21120126

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