黄粉虫抗冻蛋白吸附天然气水合物过程中的行为研究
Study on the Behavior of the Tenebrio Molitor Antifreeze Proteins during the Adsorption Process of Gas Hydrates
黄慧怡 1张楠 1刘俊杰1
作者信息
- 1. 内蒙古大学物理科学与技术学院,呼和浩特 010021
- 折叠
摘要
采用分子动力学模拟的方法,计算并分析了黄粉虫抗冻蛋白吸附甲烷水合物过程中局部结构的变化.研究表明,水合物结合位点上4号苏氨酸Thr4在靠近甲烷水合物表面时,其位置会发生变化以适应水合物的笼状结构,通过取代甲烷分子与水合物表面结合,并促使其他苏氨酸靠近水合物,最终黄粉虫抗冻蛋白吸附在水合物上,抑制了冰固体生长.本研究结果对研发可降解的天然产物类水合物抑制剂具有参考意义.
Abstract
Molecular dynamics simulation was used to calculate and analyze the local structural changes of the Tenebrio molitor antifreeze proteins during the adsorption process with methane hydrates.Studies have shown that when threonine 4 at the hydrate binding site is close to the sur-face of methane hydrate,its position will change to adapt to the cage structure of the hydrate,replace methane molecules and bind to the surface of the hydrate,and promote other threonines to be close to the hydrate,and finally the antifreeze protein of Mealworm is adsorbed on the hydrate,thus inhibiting the growth of ice solids.The results of this study have reference significance for the research and development of biodegradable natural product-based hydrate inhibitors.
关键词
抗冻蛋白/甲烷水合物/分子动力学模拟/水合物结合位点Key words
antifreeze protein/methane hydrate/molecular dynamics simulation/hydrate bind-ing surface site引用本文复制引用
基金项目
国家自然科学基金(62062053)
内蒙古自治区自然科学基金(2022QN03012)
内蒙古自治区自然科学基金(2020BS01004)
出版年
2024
NETL
NSTL
万方数据