Adsorption Mechanism of Marine Biofouling Under Atomic Scale
SHI Hongyu1, XING Jiqi1, XUE Peihong1, LIU Juan1,2,*
1 College of Transportation Engineering, Dalian Maritime University, Dalian 116026, Liaoning, China 2 Department of Chemical and Biological Engineering, University of Colorado, Boulder 80309, USA
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.
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2023, Vol. 37 
