Yang Xianhai

• 01/2018-present   Nanjing University of Science    and Technology

• 10/2014-01/2018  Nanjing institute of environmental sciences, MEP

• Computational toxicology

• Endocrine disrupting effects

• National Natural Science Foundation of China (21507038, 22176097)

• China Postdoctoral Science Foundation (2020T130301; 2020M671502)

• Jiangsu Planned Projects for Postdoctoral Research Funds (2020Z288)

Software

ED Profiler (V1.0)

ED Profiler (V1.0) is an in silico tool that could be used to predict the potential disrupting effects of anthropogenic contaminants on biomacromolecules in endocrine system, especially the nonreceptor mediated targets. To date, ED Profiler contained the predictive models forhuman transthyretin (hTTR), human sex hormone-binding globulin (hSHBG), human sodium iodide symporter (hNIS), fish estrogen receptor (fishER), fish sex hormone-binding globulin (fishSHBG), human estrogen receptor (hER), human pregnane X receptor (hPXR).

English Journal Publications

2022

1. Wang Yaqian, Liu Huihui, Yang Xianhai*, Wang Lianjun. Aquatic toxicity and aquatic ecological risk assessment of wastewater-derived halogenated phenolic disinfection byproducts. The Science of the total environment. 2021, 151089. doi: 10.1016/j.scitotenv.2021.151089

2021

2. Yang Xianhai*, Ou Wang, Zhao Songshan, Xi Yue, Wang Lianjun, Liu Huihui*. Rapid screening of human transthyretin disruptors through a tiered in silico approach. ACS Sustainable Chemistry & Engineering. 2021, 9(16): 5661–5672

3. Yang Xianhai*, Ou Wang, Zhao Songshan, Wang Lianjun, Chen Jingwen, Kusko Rebeca, Hong Huixiao, Liu Huihui*. Human transthyretin binding affinity of halogenated thiophenols and halogenated phenols: an in vitro and in silico study. Chemosphere, 2021, 280: 130627

4. He Junyi, Yang Xianhai, Liu Huihui*. Enhanced toxicity of triphenyl phosphate to zebrafish in the presence of micro- and nano-plastics. The Science of the total environment, 2021, 756, 143986

2020

5. Xi Yue, Yang Xianhai*, Zhang Hongyu, Liu Huihui*, Watson Peter, Yang Feifei. Binding interactions of halo-benzoic acids, halo-benzenesulfonic acids and halo-phenylboronic acids with human transthyretin. Chemosphere. 2020, 242: 125135.

6. Wang Yaqi, Liu Huihui*, Yang Xianhai*. Development of quantitative structure-property relationship model for predicting the field sampling rate (Rs) of Chemcatcher passive sampler. Environ Sci Pollut Res Int, 2020, 27(10): 10415-10424.

7. Yin Cen, Yang Xianhai, Zhao Tianyi, Watson Peter, Yang Feifei, Liu Huihui*. Changes of the acute and chronic toxicity of three antimicrobial agents to Daphnia magna in the presence/absence of micro-polystyrene. Environ Pollut, 2020, 263(Pt A): 114551. doi: 10.1016/j.envpol.2020.114551.

8. Wang Ying, Yang Xianhai, Zhang Songyan, Guo TaiL, Zhao Bin, Du Qiong, Chen Jingwen. Polarizability and aromaticity index govern AhR-mediated potencies of PAHs: A QSAR with consideration of freely dissolved concentrations. Chemosphere. 2020, 268: 129343

2019

9. Yang Xianhai*, Ou Wang, Xi Yue, Chen Jingwen, Liu Huihui*. Emerging Polar Phenolic Disinfection Byproducts Are High-Affinity Human Transthyretin Disruptors: An in Vitro and in Silico Study. Environmental Science & Technology, 2019, 53(12): 7019-7028.

10. Lin Shiyu, Yang Xianhai*, Liu Huihui*. Development of liposome/water partition coefficients predictive models for neutral and ionogenic organic chemicals. Ecotoxicology and Environmental Safety, 2019, 179: 40-49

11. Ding Feng, Wang Zhen, Yang Xianhai*, Shi Lili, Liu Jining, Chen Guosong. Development of classification models for predicting chronic toxicity of chemicals to Daphnia magna and Pseudokirchneriella subcapitata. SAR QSAR Environ Res. SAR QSAR Environ Res. 2019, 30(1):39-50

12. Luo Xiang, Wei Xiaoxuan, Chen Jingwen, Xie Qing, Yang Xianhai, Peijnenburg Willie J.G.M. Rate constants of hydroxyl radicals reaction with different dissociation species of fluoroquinolones and sulfonamides: Combined experimental and QSAR studies. Water Res. 2019, 166: 115083

13. Wei Mengbi, Yang Xianhai, Watson Peter, Yang Feifei, Liu Huihui. A cyclodextrin polymer membrane-based passive sampler for measuring triclocarban, triclosan and methyl triclosan in rivers. Science of the Total Environment, 2019, 648: 109–115

14. Sun Huichao, Yang Xianhai, Li Xuehua, Jin Xiaochen. Development of predictive models for silicone rubber-water partition coefficients of hydrophobic organic contaminants. Environ Sci Process Impacts. 2019, 21(12): 2020-2030

2018

15. He Junyi, Peng Tao, Yang Xianhai*, Liu Huihui*. Development of QSAR models for predicting the binding affinity of endocrine disrupting chemicals to eight fish estrogen receptor. Ecotoxicology and Environmental Safety, 2018, 148: 211-219

16. Ou Wang, Liu Huihui*, He Junyi, Yang Xianhai*. Development of chicken and fish muscle protein - Water partition coefficients predictive models for ionogenic and neutral organic chemicals. Ecotoxicology and Environmental Safety, 2018, 157: 128-133

17. Wei Mengbi, Yang Xianhai*, Watson Peter, Yang Feifei, Liu Huihui*. Development of QSAR model for predicting the inclusion constants of organic chemicals with α-cyclodextrin. Environmental Science and Pollution Research, 2018, 25(18): 17565-17574.

18. Wang Ying, Na Guangshui, Zong Humin, Ma Xindong, Yang Xianhai, Mu Jingli, Wang Lijun, Lin Zhongsheng, Zhang Zhifeng, Wang Juying, Zhao Jinsong. Applying adverse outcome pathways and species sensitivity-weighted distribution to predicted no-effect concentration derivation and quantitative ecological risk assessment for bisphenol a and 4-nonylphenol in aquatic environments: a case study on tianjin city, China. Environmental Toxicology and Chemistry, 2018, 37(2): 551-562

19. Yang Qian, Yang XianHai, Liu Jining, Chen Yingwen, Shen Shubao. Effects of exposure to BPF on development and sexual differentiation during early life stages of zebrafish (Danio rerio). Comp Biochem Physiol C Toxicol Pharmacol. 2018, 210, 44-56

2017

20. Yang Xianhai, Lyakurwa Felichesmi, Xie Hongbin, Chen Jingwen, Li Xuehua, Qiao Xianliang, Cai Xiyun. Different binding mechanisms of neutral and anionic poly-/perfluorinated chemicals to human transthyretin revealed by In silico models. Chemosphere, 2017, 182, 574 - 583

21. Ding Feng, Yang Xianhai*, Chen Guosong*, Liu Jining, Shi Lili, Chen Jingwen. Development of bovine serum albumin-water partition coefficients predictive models for ionogenic organic chemicals based on chemical form adjusted descriptors, Ecotoxicology and Environmental Safety, 2017, 144, 131-137

22. Yin Cen, Yang Xianhai*, Wei Mengbi, Liu Huihui*. Predictive models for identifying the binding activity of structurally diverse chemicals to human pregnane X receptor. Environmental Science and Pollution Research, 2017, 24(24): 20063-20071

23. Liu Huihui*, Yang Xianhai*, Yin Cen, Wei Mengbi, He Xiao. Development of predictive models for predicting binding affinity of endocrine disrupting chemicals to fish sex hormone-binding globulin. Ecotoxicology and Environmental Safety. 2017, 136: 46-54.

24. Liu Huihui*, Wei Mengbi, Yang Xianhai*, Yin Cen, He Xiao. Development of TLSER model and QSAR model for predicting partition coefficients of hydrophobic organic chemicals between low density polyethylene film and water. Science of The Total Environment, 2017, 574: 1371-1378

25. Yang Qian, Yang Xianhai, Liu Jining, Ren Wenjuan, Chen Yingwen, Shen Shubao. Exposure to Bisphenol B Disrupts Steroid Hormone Homeostasis and Gene Expression in the Hypothalamic–Pituitary–Gonadal Axis of Zebrafish. Water, Air, & Soil Pollution, 2017 228, 112

26. Luo Xiang, Yang Xianhai, Qiao Xianliang, Wang Ya, Chen Jingwen, Wei Xiaoxuan, Peijnenburg Willie. Development of a QSAR model for predicting aqueous reaction rate constants of organic chemicals with hydroxyl radicals. Environmental Science: Processes & Impacts, 2017, 19(3): 350-356

27. Yang Qian, Yang Xianhai, Liu Jining, Ren Wenjuan, Chen Yingwen, Shen Shubao. Effects of BPF on steroid hormone homeostasis and gene expression in the hypothalamic-pituitary-gonadal axis of zebrafish. Environmental Science and Pollution Research, 2017, 24(26): 21311-21322

2016

28. Yang Xianhai, Liu Huihui, Yang Qian, Liu Jining, Chen Jingwen, Shi Lili. Predicting anti-androgenic activity of bisphenols using molecular docking and quantitative structure-activity relationships. Chemosphere. 2016, 163: 373-381.

29. Yang Xianhai, Liu Huihui, Liu Jining, Li Fei, Li Xuehua, Shi Lili, Chen Jingwen. Rational Selection of 3D Structure of Biomacromolecules for Molecular Docking Studies on the Mechanism of Endocrine Disruptor Action. Chemical Research in Toxicology, 2016, 29(9):1565-1570.

30. Wang Ying, Yang Xianhai, Wang Juying, Cong Yi, Mu Jingli, Jin Fei. A DFT-based toxicity QSAR study of aromatic hydrocarbons to Vibrio fischeri: Consideration of aqueous freely dissolved concentration. Journal of Hazardous Materials, 2016, 308:149-156.

31. Fan Deling, Liu Jining, Wang Lei, Yang Xianhai, Zhang Shenghu, Zhang Yan, Shi Lili. Development of Quantitative Structure-Activity Relationship Models for Predicting Chronic Toxicity of Substituted Benzenes to Daphnia Magna. Bulletin of Environmental Contamination and Toxicology, 2016, 96(5): 664-670.

32. Liu Huihui, Yang Xianhai, Lu Rui. Development of classification model and QSAR model for predicting binding affinity of endocrine disrupting chemicals to human sex hormone-binding globulin. Chemosphere 2016, 156: 1-7.

2015

33. Xie Hongbin, Wang Pan, He Ning, Yang Xianhai, Chen Jingwen. Toward rational design of amines for CO2 capture: Substituent effect on kinetic process for the reaction of monoethanolamine with CO2. Journal of Environmental Sciences, 2015, 37: 75-82.

34. Ya Wang, Jingwen Chen, Xianhai Yang, Felichesmi Lyakurwa, Xuehua Li, Xianliang Qiao. In silico model for predicting soil organic carbon normalized sorption coefficient (KOC) of organic chemicals. Chemosphere. 2015, 119C: 438-444.

2014

35. Felichesmi Lyakurwa, Xianhai Yang, Xuehua Li, Xianliang Qiao, Jingwen Chen. Development of in silico models for predicting LSER molecular parameters and for acute toxicity prediction to fathead minnow (Pimephales promelas). Chemosphere, 2014, 108: 17-25.

36. Felichesmi Lyakurwa, Xianhai Yang, Xuehua Li, Xianliang Qiao, Jingwen Chen. Development and validation of theoretical linear solvation energy relationship models for toxicity prediction to fathead minnow (pimephales promelas). Chemosphere, 2014, 96:188-194.

37. Chao Li, Xianhai Yang, Xuehua Li, Jingwen Chen, Xianliang Qiao. Development of a model for predicting hydroxyl radical reaction rate constants of organic chemicals at different temperatures. Chemosphere, 2014, 95: 613-618.

38. Fei Li, Renmin Li, Xianhai Yang, Liping You, Jianmin Zhao, Huifeng Wu. The interaction between organic phosphate ester and p53: An integrated experimental and in silico approach. Mar Pollut Bull, 2014, 85(2): 516-521.

39. Xianliang Qiao, Xiaodong Zheng, Qing Xie, Xianhai Yang, Jie Xiao, Weifeng Xue, Jingwen Chen. Faster photodegradation rate and higher dioxin yield of triclosan induced by cationic surfactant CTAB. Journal of Hazardous Materials, 2014, 275: 210-214.

40. Yu Zhang, Xiyun Cai, Weina Xiong, Hao Jiang, Haitong Zhao, Xianhai Yang, Chao Li, Zhiqiang Fu, Jingwen Chen. Molecular insights into the pH-dependent adsorption and removal of ionizable antibiotic oxytetracycline by adsorbent cyclodextrin polymers. PLoS One. 2014, 9(1): e86228.

41. Fei Li, Xianhai Yang, Xuehua Li, Renmin Li, Jianmin Zhao, Huifeng Wu. Determination and prediction of the binding interaction between organophosphate flame retardants and p53. Chemical Research in Toxicology, 2014, 27(11): 1918-1925.

42. Chao Li, Hongbin Xie, Jingwen Chen, Xianhai Yang, Yifei Zhang, Xianliang Qiao. Predicting gaseous reaction rates of short chain chlorinated paraffins with ·OH: overcoming the difficulty in experimental determination. Environmental Science & Technology, 2014, 48(23): 13808-13816.

2013

43. Xianhai Yang, Hongbin Xie, Jingwen Chen, Xuehua Li. Anionic phenolic compounds bind stronger with transthyretin than their neutral forms: nonnegligible mechanisms in virtual screening of endocrine disrupting chemicals. Chemical Research in Toxicology, 2013, 26(9):1340-1347

44. Yingqian Chu, Xuehua Li, Hongbin Xie, Zhiqiang Fu, Xianhai Yang, Xianliang Qiao, Xiyun Cai, Jingwen Chen. Evaluating the Interactions of Organic Compounds with Multi-Walled Carbon Nanotubes by Self-Packed HPLC Column and Linear Solvation Energy Relationship. Journal of Hazardous Materials, 2013, 263 (Pt 2): 550-555.

45. AiLiJiang Nuerla, XianLiang Qiao, Jing Li, DongMei Zhao, Xianhai Yang, Qing Xie, Jingwen Chen. Effects of substituent position on the interactions between PBDEs/PCBs and DOM. Chinese Science Bulletin, 2013, 58(8): 884-889.

2010

46. Liping Huang, Xianhai Yang, Xie Quan, Jingwen Chen, Fenglin Yang. A microbial fuel cell–electro oxidation system for coking wastewater treatment and bioelectricity generation. Journal of Chemical Technology and Biotechnology, 2010, 85(5): 621-627.

English Book Publications

1. Yang Xianhai*, Liu Huihui., Kusko Rebecca. Molecular Modeling Method Applications: Probing the Mechanism of Endocrine Disruptor Action. In: Hong H. (eds) Advances in Computational Toxicology. Challenges and Advances in Computational Chemistry and Physics, vol 30. Springer, Cham, 2019, pp 315-335.

2. Fei Li, Xianhai Yang, Jingwen Chen, Felichesmi Lyakurwa. QSARs on the thyroid hormone effects of polybrominated diphenyl ether (PBDE) derivatives (Chapter 17), In Persistent Organic Pollutants (POPs): Analytical Techniques, Environmental processes and Biological Effects, Comprehensive Analytical Chemistry, Vol. 67. http://dx.doi.org/10.1016/B978-0-444-63299-9.00017-X