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孟亚杰,理学博士,毕业于中国科学院福建物质结构研究所。2025年12月入职邢台学院。 主要从事计算化学与分子模拟相关研究,研究方向聚焦于金属酶催化反应机理的理论计算研究,以及基于分子动力学模拟的蛋白–小分子相互作用与识别机制解析,致力于从原子与电子层面揭示复杂生物分子体系中的结构演化与反应过程。 近年来在相关领域发表多篇学术论文,研究成果涉及酶催化机制解析、金属中心配位调控作用、以及有机/无机体系中的光物理与电化学过程机制研究。
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学术成果
(1) Yajie Meng, Jiawei Xu, Jian Hao, Guangwei Li, Minyi Zhang. Ligand-Field-Controlled Catalysis: Enzymatic Hydrolysis of N, N-Dimethylformamide, International Journal of Biological Macromolecules, 2025, 315(1): 144538.
(2) Yajie Meng, Xi Chen, Yingqi Li, Yunlong Shang, Yulin Guo, Yong Wu, Haiyan Wei, Jiawei Xu. Marcus Inverted Region in Organic Long-Persistent Luminescence Host-Guest Systems Designed from Thermally Activated Delayed Fluorescence Molecule: A Mechanism Study, Journal of Materials Chemistry C, 2025, 13(1): 260-272.
(3) Yajie Meng, Ziyue Huang, Xi Chen, Yingqi Li, Xueyuan Yan, Jiawei Xu, Haiyan Wei. Curvature-Influenced Electrocatalytic NRR Reactivity by Heme-Like FeN4-Site on Carbon Materials, Molecules, 2025, 30(8): 1670.
(4) Nan Jiang, Yajie Meng, Xin Pu, Changyi Zhu, Shuhan Tan, Yanhong Xu, Youliang Zhu, Jiawei Xu, Martin R. Bryce. Nonconventional Full-Color Luminescent Polyurethanes: Luminescence Mechanism at the Molecular Orbital Level, ACS Materials Letters, 2025, 7: 24-31.(共一排二)