三、主要科研工作与成绩 主持项目： 1. 上海市科委浦江人才计划项目：基于分子动力学模拟的重金属离子印迹聚合物吸附机制研究，2021/10-2023/09. 2. 达能营养中心膳食营养研究与宣教基金：n-3多不饱和脂肪酸的膳食摄入量评估及其膳食补充经济学评价，2021/10-2023/09. 3. 上海市高校青年教师资助计划（重点资助项目）：互联网时代思政教学在线课程中的推进路径研究，2019/10-2020/09. 代表性论文： X. Wu, H. Yuan, R. Zhao, P. Wang, M. Yuan, H. Cao, T. Ye and F. Xu, Mechanisms of ssDNA aptamer binding to Cd2+ in aqueous solution: A molecular dynamics study, International Journal of Biological Macromolecules, accepted, 2023. X. Wu, J. Shen, T. Ye, H. Cao, M. Yuan, F. Yin, L. Hao, C. Zhang and F. Xu, Thiourea derivatives acting as functional monomers of As(Ш) molecular imprinted polymers: A theoretical and experimental study on binding mechanisms, Journal of Hazardous Materials, 430 (2022). 128508. X. Wu, J. Shen, H. Cao, M. Yuan, T. Ye, C. Lin, C. Zhang and F. Xu, Theoretical sight into hydrogen bond interactions between arsenious acid and thiols in aqueous and HEPES solutions, Journal of Molecular Liquids, 344 (2021). 117713. X. Wu, H. Yu, M. Yuan, H. Cao T. Ye, J. Yu and F. Xu, H-bond interactions between arsenite and deoxynucleotides at different pH values: A combined computational and experimental study. Chemosphere, 251(2020).126395. X. Wu, J. Ehrmaier, A. L. Sobolewski, T. N. V. Karsili and W. Domcke, Mechanisms of photoreactivity in hydrogen-bonded adenine–H2O complexes. Phys. Chem. Chem. Phys. 2019, 21, 14238-14249.
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