基本信息
姓名： 曹慧明
学历： 博士研究生
职称： 副研究员
联系方式：邮箱hmcao1986@126.com QQ 346296700
学习工作经历
2019-至今 江汉大学 环境与健康学院 副研究员
主要研究方向
针对全氟及多氟烷基类物质的生物累积与毒性效应，联系基于人工智能的筛查模型与实验验证，指导环境友好型PFAS的分子设计和结构优化。
主要科研工作（项目）
1.国家自然科学基金青年基金，,21806058，双酚A及其替代物干扰雄激素受体活性的理论研究，2019/1-2021/12，25.5万元，结题，主持;
2.武汉市科技局知识创新专项，基于深度学习构建PFAS化学品安全性在线预测平台，2022.6-2024.7，20万元，在研，主持
代表性论著
1. Huiming Cao, Jianhua Peng, Zhen Zhou, Yuzhen Sun, Yawei Wang, Yong Liang*, Insight into the defluorination ability of per- and polyfluoroalkyl substances based on machine learning and quantum chemical computations, Science of The Total Environment, 2022, 807, 151018.
2. Huiming Cao#, Zhen Zhou#, Zhe Hu, Cuiyun Wei, Jie Li, Ling Wang, Guangliang Liu, Jie Zhang, Yawei Wang, Thanh Wang, Yong Liang*, Effect of Enterohepatic Circulation on the Accumulation of Per-and Polyfluoroalkyl Substances: Evidence from Experimental and Computational Studies, Environmental Science & Technology, 2022, 56, 5, 3214-3224.
3. Huiming Cao, Jianhua Peng, Zhen Zhou, Zeguo Yang, Ling Wang, Yuzhen Sun, Yawei Wang, Yong Liang*, Investigation of the Binding Fraction of PFAS in Human Plasma and Underlying Mechanisms Based on Machine Learning and Molecular Dynamics Simulation, Environmental Science & Technology, 2022, https://doi.org/10.1021/acs.est.2c04400.
4. Huiming Cao; Yuzhen Sun; Ling Wang; Yu Pan; Zhunjie Li; Yong Liang; In silico identification of novelinhibitors targeting the DNA-binding domain of the human estrogen receptor alpha, Journal of Steroid Biochemistry and Molecular Biology, 2021, 213, 105966.
5. Huiming Cao; Zhen Zhou; Ling Wang; Guangliang Liu; Yuzhen Sun; Yawei Wang; Thanh Wang; Yong Liang; Screening of potential PFOS alternatives to decrease liver bioaccumulation: Experimental and computational approaches, Environmental Science & Technology, 2019, 53, 2811-2819.
