个人简介

Fei Xia received his B.S. and Ph.D. degree from Xiamen University. His postdoctoral research was conducted at the Chinese Academy of Sciences and Max Planck Society Partner Institute for Computational Biology (PICB), Heidelberg Institute for Theoretical Studies (HITS) and Nanyang Technological University (NTU).

研究领域

Professor Xia’s Current research interests include the QM study of mechanisms of organometallic reactions, QM/MM simulations of protein functions and development of coarse-grained models for large biological systems.

（一）化学机理研究：均相碳氢键与二氧化碳活化机理； （二）蛋白质结构与功能的理论模拟； （三）蛋白质粒化模型的发展及运用；

近期论文

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Ji, L. Z.†; Luo, Z. J.†; Zhang, Y.; Wang, R.; Ji, Y.; Xia, F.*; Gao, G. H.* 2017, in prep. Imidaolium ionic liquids/organic bases: effiicent intermolecular synergistic catalysts. Luo, Z. J.; Lin, T. Y.; Huang, M. M.; Chen, J.; Feng, J. J.*; Xia, F.* 2017, in submission. Reaction mechanisms of Rh-catalyzed divergent intermolecular cycloadddition of vinylaziridines and alkyne. Zhang, Y. W.; Cao, Z. X.; Xia, F.* 2017, in submission. Construction of ultra-coarse-grained model of protein with a Gō-like potential. Zhang, C.; Zhang, S.; Yan, Y.; Xia, F.; Xian, Z. Y.* ACS Appl. Mater. Interfaces 2017, 9, 13415. Highly fluorescent 2D polyimide covalent organic nanosheets as sensing probes for the detection of trinitrophenol. Liu, S.; Jiang, J.; Chen, J.; Wei, Q.; Yao, W.; Xia, F.*; Hu, W. H.* Chem. Sci. 2017, accepted. A DFT computation-inspiring discovery of multi-component reaction of alkydiazoacetates by Rhodium(I) complex. Zhou, J.; Lv, S.; Zhang, D.; Xia, F.*; Hu, W. H.* J. Org. Chem. 2017, 82, 2599. Deactivating influcence of 3-olycosyl substituent on anomeric reactivity of thiomannoside observed in oigomannoside synthesis. Zhang, Y. W.; Cao, Z. X.; Zhang, J. Z. H.; Xia, F.* J. Chem. Inf. Model. 2017, 57, 214. Performance comparions of systematic methods for rigrous definition of coarse-grained sites of biomolecules. Liu, S.; Yao, W.; Liu, Y.; Wei, Q.; Chen, J.; Wu, X.; Xia, F.*; Hu, W. H.* Sci. Adv. 2017, 3, e1602467. A Rh(II)-catalyzed multicomponent reaction by trapping an amino enol intermediate in a traditional two component reaction pathway. Luo, Z. J.; Wang, B.; Liu, Y.; Gao, G.*; Xia, F.* Phys. Chem. Chem. Phys. 2016, 18, 27951. Reaction mechanisms of carbon dioxide, ethylene oxide adn amines catalyzed by ionic liquids BmimBr and BmimOAc: A DFT study. Liu, Y.; Luo, Z. J.; Zhang, J. Z. H.; Xia, F.* J. Phys. Chem. A 2016, 120, 6485. DFT calculations on the mechanism of transtion metal catalyzed reaction of diazo compounds wtih phenols. Li, M.; Zhang, J. Z. H.; Xia, F.* J. Chem. Theory Comput. 2016, 12, 2091. Constructing optimal coarse-grained sites of huge biomolecules by fluctuation maximization. Liu, Y.; Yu, Z.; Zhang, J. Z. H.; Liu, L.*; Xia, F.* J. Phys. Chem. A 2016, 120, 1925. Theoretical investigation of mechanisms of C(sp2)-H and C(sp3)-H bond insertion by gold carbenes. Wang, B.; Luo, Z. J.; Elageed, E.; Wu, S.; Xia, F.*; Gao, G.* et al. ChemCatChem 2016, 8, 830. DBU and DBU-derived ionic liquid synergistic catalysis for conversion of CO2/CS2 to 3-aryl-2-oxazolidinones. Liu, Y; Yu, Z.; Zhang, J. Z. H.; Liu, L.*; Xia, F.*; Zhang, J. L.* Chem. Sci. 2016, 7, 1988. Origins of unique gold-catalyzed chemo- and site-selective C-H functionalization of phenols with diazo compounds. Li, M.; Zhang, J. Z. H.; Xia, F.* J. Comput. Chem. 2016, 37, 795. A new algorithm for construction of coarse-grained sites of large biomolecules. Tang, M.; Wu, Y.; Liu, Y.; Cai, M.; Xia, F.; Liu, S.*; Hu, W.* Acta Chim. Sinica 2016, 74, 54. One-pot enantioselective multi-component cascade reactions for synthesis of chiral functionalized hydroepoxyisochromenses. Li, Y,; Zhang, M.*; Lu, L.; Zhu, A.; Xia, F.; Shi, G.* Analyst 2015, 140, 6108. Ratiometric fluorescent detection of Ag using hybrid supraparticles assembling from Ag, I and thioflavin T. Wang, Y.; Zhang, P.; Liu, Y.; Xia, F.*; Zhang, J. L.* Chem. Sci. 2015, 6, 5564. Enantioselective gold-catalyzed intermolecular [2+2] versus [4+2]-cycloadditions of 3-strylindoles with N-allenamides. Xu, L.; Huang, D. D.; Xia, F.*; Li, X.; Fan, F.*; Li, C.; Wu, P.* et al. Chem. Commun. 2015, 51, 9010. Construction of unique six-coordinated titanium species with an organic amime ligand in titanosilicate and their unprecedented high efficiency for alkene epoxidation. Zhang, D.; Zhou, J.; Xia, F.; Kang, Z.; Hu, W. H.* Nat. Commun. 2015, 6, 5801. Bond cleavage, fragment modification and reassembly in enantisselective three component reactions. Li, M.; Zhang, J. Z. H.; Xia, F.* Chem. Phys. Lett. 2015, 618, 102. Heterogenous elastic network model improves description of slow motions of proteins in solution.