王小享 wangxx3 at sustech.edu.cn

简历
科研
教学
发表论著
王小享，2011年获得广州大学学士学位，2014年获得南京大学硕士学位，2019年获得美因茨大学和马克斯 · 普朗克化学研究所博士学位。博士毕业后在马克斯 · 普朗克化学研究所多相化学系工作，任博士后研究员。曾担任中国旅德****化学化工学会莱茵 - 美因分会主席。主要研究方向为基于分子模拟和计算化学技术研究有机污染物和环境纳米颗粒的理化性质、在不同介质中的迁移转化，和他们对人体和其他生物的毒性等。研究成果发表在包括Environmental Science & Technology、Water Research、Atmospheric Chemistry and Physics等在内的多个国际著名权威期刊上，参加过多次国际会议并做口头报告，被邀请为多个期刊的审稿人。参与多项国家重大科技发展专项研究。
工作经历
• 中国南方科技大学环境科学与工程学院，2020-今, 助理研究员
• 德国马克斯 · 普朗克化学研究所, 2019 –2020, 博士后
教育背景
• 德国美因茨大学, 2014 - 2019 , 博士（物理化学，优等）
• 德国马克斯·普朗克化学研究所, 2014 - 2019, 博士（物理化学，优等）
• 中国南京大学, 2011-2014, 硕士（环境工程）
• 中国广州大学, 2007-2011, 学士（环境科学）
代表性科研项目
国家高技术研究发展计划(863计划)“典型化工区化学品风险甄别与控制综合示范”(参与)
研究方向
分子模拟与环境理论化学
持久性有机污染物
环境纳米颗粒
表面化学

1. Wang, X., Zhou, L., Liu, Y., Zhang, K., Xiu, G.: Investigating the photolysis of NO2 and influencing factors by using a DFT/TD-DFT method, Atmos. Environ., 117559, 2020
2. Wang, X., Zhang, R., Song, C., Crump D.: Computational evaluation of interactions between organophosphate esters and nuclear hormone receptors, Environ. Res., 182, 108982, 2020.
3. Wang, X., Lei, H., Berger, R., Zhang, Y., Su, H., Cheng, Y.: Hygroscopic properties of NaCl nanoparticles on the surface: a scanning force microscopy study, Phys. Chem. Chem. Phys., 22, 9967-9973, 2020.
4. Wang, X., Binder, K., Chen, C., Koop, T., Pöschl, U., Su, H., and Cheng, Y.: Second inflection point of water surface tension in the deeply supercooled regime revealed by entropy anomaly and surface structure using molecular dynamics simulations, Phys. Chem. Chem. Phys., 21, 3360-3369, 2019.
5. Wang, X., Chen, C., Binder, K., Kuhn, U., Pöschl, U., Su, H., and Cheng, Y.: Molecular dynamics simulation of the surface tension of aqueous sodium chloride: from dilute to highly supersaturated solutions and molten salt, Atmos. Chem. Phys., 18, 2018.
6. Wang, X., Zhang, X., Xia, P., Zhang, J., Wang, Y., Zhang, R., Giesy, J. P., Shi, W., and Yu, H.: A high-throughput, computational system to predict if environmental contaminants can bind to human nuclear receptors, Sci. Total Environ., 576, 609-616, 2017.
7. Wang, X., Yang, H., Hu, X., Zhang, X., Zhang, Q., Jiang, H., Shi, W., and Yu, H.: Effects of HO-/MeO-PBDEs on androgen receptor: in vitro investigation and helix 12-involved MD simulation, Environ. Sci. Technol., 47, 11802-11809, 2013.
8. Wang, X., Li, X., Shi, W., Wei, S., Giesy, J. P., Yu, H., and Wang, Y.: Docking and CoMSIA studies on steroids and non-steroidal chemicals as androgen receptor ligands, Ecotox. Environ. Safe., 89, 143-149, 2013.
9. Zhang, R.,1 Wang, X.,1 Zhou, L., and Crump, D.: Quantum chemical investigations of the decomposition of the peroxydisulfate ion to sulfate radicals, Chem. Eng. J., 361, 960-967, 2019. (1 contribute equally)
10. Zhang, R.,1 Wang, X.,1 Zhou, L., Liu, Z., and Crump, D.: The impact of dissolved oxygen on sulfate radical-induced oxidation of organic micro-pollutants: A theoretical study, Water Res., 135, 144-154, 2018. (1 contribute equally)
11. Zhang, R.,1 Wang, X.,1 Zhang, X., Song, C., Letcher, R. J., and Liu, C.: Polychlorinated diphenylsulfides activate aryl hydrocarbon receptor 2 in zebrafish embryos: Potential mechanism of developmental toxicity, Environ. Sci. Technol., 52, 4402-4412, 2018. (1 contribute equally)
12. Chen, Q., Zhou, C., Shi, W., Wang, X., Xia, P., Song, M., Liu, J., Zhu, H., Zhang, X., Yu, H.: Mechanistic in silico modeling of bisphenols to predict estrogen and glucocorticoid disrupting potentials, Sci. The Total Environ., 138854, 2020
13. Chen, Q., Wang, X., Tan, H., Shi, W., Zhang, X., Wei, S., Giesy, J. P., and Yu, H.: Molecular initiating events of bisphenols on AR-mediated pathways provide guidelines for in silico screening and design of substitute compounds, Environ. Sci. Technol. Lett., 2019.
14. Zhang, R., Wang, X., Zhang, X., Zhang, J., Zhang, X., Shi, X., Crump, D., Letcher, R. J., Giesy, J. P., and Liu, C.: Down-Regulation of hspb9 and hspb11 Contributes to Wavy Notochord in Zebrafish Embryos Following Exposure to Polychlorinated Diphenylsulfides, Environ. Sci. Technol., 52, 12829-12840, 2018.
15. Meusel, H., Elshorbany, Y., Kuhn, U., Bartels-Rausch, T., Reinmuth-Selzle, K., Kampf, C. J., Li, G., Wang, X., Lelieveld, J., and Pöschl, U.: Light-induced protein nitration and degradation with HONO emission, Atmos. Chem. Phys., 17, 11819-11833, 2017.
16. Su, H., Cheng, Y., Ma, N., Wang, Z., Wang, X., Pöhlker, M. L., Nillius, B., Wiedensohler, A., and Pöschl, U.: A broad supersaturation scanning (BS2) approach for rapid measurement of aerosol particle hygroscopicity and cloud condensation nuclei activity, Atmospheric Meas. Tech., 9, 5183-5192, 2016.
17. Wu, Y., Doering, J. A., Ma, Z., Tang, S., Liu, H., Zhang, X., Wang, X., and Yu, H.: Identification of androgen receptor antagonists: In vitro investigation and classification methodology for flavonoid, Chemosphere, 158, 72-79, 2016.
18. Chen, Q., Wang, X., Shi, W., Yu, H., Zhang, X., and Giesy, J. P.: Identification of thyroid hormone disruptors among HO-PBDEs: in vitro investigations and coregulator involved simulations, Environ. Sci. Technol., 50, 12429-12438, 2016.
19. Yu, N., Wang, X., Zhang, B., Yang, J., Li, M., Li, J., Shi, W., Wei, S., and Yu, H.: Distribution of perfluorooctane sulfonate isomers and predicted risk of thyroid hormonal perturbation in drinking water, Water Res., 76, 171-180, 2015.
20. Cao, F., Li, X., Ye, L., Xie, Y., Wang, X., Shi, W., Qian, X., Zhu, Y., and Yu, H.: Molecular docking, molecular dynamics simulation, and structure-based 3D-QSAR studies on the aryl hydrocarbon receptor agonistic activity of hydroxylated polychlorinated biphenyls, Environ. Toxicol. Pharmacol., 36, 626-635, 2013.
21. Li, X., Wang, X., Shi, W., Liu, H., and Yu, H.: Analysis of Ah receptor binding affinities of polybrominated diphenyl ethers via in silico molecular docking and 3D-QSAR, SAR QSAR Environ. Res., 24, 75-87, 2013.
22. Li, X., Ye, L., Wang, X., Shi, W., Liu, H., Qian, X., Zhu, Y., and Yu, H.: In silico investigations of anti-androgen activity of polychlorinated biphenyls, Chemosphere, 92, 795-802, 2013.
23. Li, X., Ye, L., Wang, X., Shi, W., Qian, X., Zhu, Y., and Yu, H.: Molecular modeling and molecular dynamics simulation studies on the interactions of hydroxylated polychlorinated biphenyls with estrogen receptor-β, Arch. Environ. Contam. Toxicol., 65, 357-367, 2013.
24. Li, X., Ye, L., Wang, X., Wang, X., Liu, H., Zhu, Y., and Yu, H.: Combined 3D-QSAR, molecular docking and molecular dynamics study on thyroid hormone activity of hydroxylated polybrominated diphenyl ethers to thyroid receptors β, Toxicol. Appl. Pharmacol., 265, 300-307, 2012.
25. Li, X., Ye, L., Wang, X., Wang, X., Liu, H., Qian, X., Zhu, Y., and Yu, H.: Molecular docking, molecular dynamics simulation, and structure-based 3D-QSAR studies on estrogenic activity of hydroxylated polychlorinated biphenyls, Sci. Total Environ., 441, 230-238, 2012.