四川大学化学学院
师资力量

蒲雪梅     教授、博士生导师

研究方向:分析化学,物理化学

联系方式:028-85415695          Email:xmpuscu@scu.edu.cn

个人主页:点击进入

简历

1987-1991,四川轻化工大学工业分析专业,工学学士

1991-1995,中国天府可乐集团公司工作,技术员

1995-1998,四川大学分析化学专业,理学硕士

2000-2004,四川大学物理化学专业,理学博士

2002-2003,香港浸会大学化学系,访问学者

1998~2010,四川大学化学学院,讲师,副教授

2010~至今,四川大学化学学院,教授

2011~至今,四川大学化学学院,博士生导师


学术任职:

中国化学会计算()化学专业委员会委员

Interdiscip Sci-Comp Life Sci国际SCI期刊的编委

主要研究方向

结合实验、机器学习算法和计算模拟的交叉技术研究

1. 肿瘤基因的识别、靶标蛋白结构性能的研究及计算机辅助药物设计

                                                                                 


2. 基于人工智能的含能材料的波谱解析、分子设计和性能研究



主要工作业绩

² 科研工作2010年以来作为负责人主持了8项国家级项目(包括5项国家自然科学基金)和两项四川省科技项目以及多项横向课题,发表了一百余篇SCI论文,获得2项国家计算机软件著作权,申请了6项专利(已授权3项),所建立的人工智能驱动的新分析方法和设计策略已在相关单位和研究所得到实际应用和推广。

² 教学工作承担三门本科基础化学课程和一门博士生化学前沿的教学任务,主持了10项省级和校级教改项目。近年来发表教改论文近二十篇,主编出版了两本教材(四川省十二五规划教材和四川大学优秀教材),获得了四川省教学成果三等奖和四川大学校级教学成果一等奖(两次),荣获四川大学教学卓越奖,宝钢优秀教师奖。

² 所获荣誉和奖励

1) 2003年:四川大学实德教师

2) 20052007 2009年:四川大学青年骨干教师

3) 2009年:四川大学教学成果一等奖 (排名第二)

4) 2010年:四川省教学成果奖三等奖 (排名第二)

5) 2011年:四川大学优秀教师

6) 2012年:四川大学唐立新教学名师

7) 2013年:本科生优秀毕业论文指导奖

8) 2013年:第八届教学名师培养对象

9) 2013年:大学生课外科技实践活动优秀指导教师

10) 2014年:第十一批四川省学术和技术带头人后备人选

11) 2015年:本科教学课题教学质量优秀奖

12) 2015年:四川大学巾帼建功立业先进个人

13) 2016年:四川大学大学生课外科技实践活动优秀指导教师

14) 201620172018年:学生学术型社团指导教师标兵奖

15) 2017年:四川大学教学成果一等奖(排名第一)

16) 2017年:本科教学课题教学质量优秀奖

17) 2017年:宝钢优秀教师奖

18) 2017年:四川大学教学卓越奖

19) 2018年:大学生创新创业教育优秀指导教师

20) 2018年:学生学术型社团指导教师标兵奖

21) 2019年:本科生优秀毕业论文指导奖


作:
 
1. 蒲雪梅,陈华主编,大学化学实验,化学工业出版社,2015
 
2.
李梦龙,蒲雪梅主编,分析化学数据速查手册,化学工业出版社,2009


主持的科研项目

1.    2018-2020:压装PBX炸药结构、组成同力学性能间关系模型的建立,国家自然科学基金(NSAF),负责人

2.    2018-2020:基于SAR数据的环境与目标认知技术,中国科学院电子学研究所,负责人

3.    2018-2020:含能共晶体系的人工智能预测模型的开发,中国工作物理研究院化工材料研究所,负责人

4.    2017-2018XXX总体参数设计仿真软件,国防科工局航天重大科技专项子课题,负责人

5.    2016-2019G蛋白偶联受体二聚体相互作用及配体调控的分子机制,国家自然科学基金(面上),负责人

6.    2016-2018:基于XXX的目标智能识别技术, 战支部队航天重点预研项目子课题,负责人

7.    2013-2016:一些重要AG蛋白偶联受体激活机制及其配体影响作用的理论研究,国家自然科学基金(面上),负责人

8.     2013-2015:基于PBX 炸药波谱结构解析的化学计量学方法研究,国家自然科学基金(NSAF),负责人

9.    2010-2012:水量调控有机相丝氨酸蛋白酶催化活性分子机制的理论研究,国家自然科学基金(面上),负责人

10.  2015-2016:炸药快速识别和测定的新方法及计算机专家智能系统的构建,四川省科技支撑项目,负责人

11.  2011-2013:非水相蛋白酶在手性药物拆分中催化性能的分子机制研究,四川省国际合作项目,负责人

代表性成果

(获奖成果、专著、论文、专利)

近期代表性的SCI论文(共发表了100余篇SCI论文)


1. Liting Shen, Yuan Yuan, Yanzhi Guo, Menglong Li, Chuan Li, Xuemei   Pu*, Probing the Druggablility on the Interface of the Protein-protein   Interaction and its Allosteric Regulation Mechanism on the Drug Screening for   the CXCR4 Homodimer, Frontiers in   Pharmacology, 2019, 10: 1310

2. Yu Liang, Li He, Yiru Zhao, Yingyi Hao, Yifan Zhou, Menglong Li,   Chuan Li, Xuemei Pu*, Zhining Wen*, Comparative Analysis for the   Performance of Variant Calling Pipelines on Detecting the de novo Mutations   in Humans, Frontiers in Pharmacology, 2019,   10: 358.

3. Fuhui Zhang, Yuan Yuan, Minghui Xiang ,   Yanzhi Guo , Menglong Li ,Yijing Liu, Xuemei   Pu*, Molecular Mechanism regarding Allosteric Modulation of Ligand   Binding and the Impact of Mutations on Dimerization for CCR5 Homodimer. Journal   of chemical information and modeling 2019. 59,   1965-1976.

4. Yinjie Xie , Wenxin   Dai , Zhenxin Hu , Yijing Liu , Chuan Li*, and Xuemei Pu*,   A Novel Convolutional Neural Network Architecture for SAR Target   Recognition, Journal of Sensors, 2019, Article   ID 1246548, 9 pages.

5. Xiao Qin, Ming Li, Minghui Xiang, Yi Luo, Yan Jiao, Rongao   Yuan,Ning Wang, Zhiyun Lu* and Xuemei Pu*, Probing effects   of the number and positions of -OCH₃ and -CN substituents on color   tuning of Ir (III) complex derivatives through a joint study of computation   and experiment, ChemPhysChem, 2019, 20, 470-481

6. Longrong Wang, Yuan   Yuan, Xin Chen, Jiangfan Chen, Yanzhi Guo, Menglong Li, Chuan Li and Xuemei   Pu*, Probing the cooperative mechanism of the μ-δ opioid receptor   heterodimer by multiscale simulation, Physical Chemistry   Chemical Physics, 2018, 20, 29969--29982

7. Liyun Zhang, Yuan   Yuan , Tian Ren, Yanzhi Guo, Chuan Li*, Xuemei Pu*,   Shining Light on Molecular Mechanism for Odor-selectivity of CNT-immobilized   Olfactory Receptor. Scientific Reports 2018,   8:7824.

8. Xi Zhang, Yuan Yuan,   Longrong Wang, Yanzhi Guo, Menglong Li, Chuan Li*, Xuemei Pu*:   Use multiscale simulation to explore the effects of the homodimerizations   between different conformation states on the activation and allosteric   pathway for the μ-opioid receptor. Physical Chemistry Chemical   Physics, 2018, 1913485-13496.

9. Fuhui   Zhang, Yuan Yuan, Haiyan Li, Liting Shen, Yanzhi Guo, Zhining Wen*, Xuemei   Pu*, Using accelerated molecular dynamics simulation to shed light on the   mechanism of activation/deactivation upon mutations for CCR5, RSC Advances, 2018, 8,   37855 – 37865

10. Xuan He,* Yu Liu,   Shiliang Huang, Yi Liu, Xuemei Pu * and Tao Xu *, Raman   spectroscopy coupled with principal component analysis to quantitatively   analyze four crystallographic phases of explosive CL-20, RSC   Advances., 2018, 8, 23348

11. Yihuan Zhao,   YuanYuan, Jianfang Chen, MenglongLi, XuemeiPu,* Chemometrics-enhanced   high performance liquid chromatography strategy for simultaneous   determination on seven nitroaromatic compounds in environmental water, Chemometrics   and Intelligent Laboratory Systems,2018, 174, 149-155

12. Tao Liang, Yuan   Yuan, Ran Wang, Yanzhi Guo, Menglong Li, Xuemei Pu,* and   Chuan Li*, Structural Features and Ligand Selectivity for 10 Intermediates in   the 2 Activation Process of β2-Adrenergic ReceptorACS OMEGA2017, 2, 8557 − 8567

13. Suqing Li, Bin Li,   Yuanting Zheng, Menglong Li, Leming Shi* and Xuemei Pu*,   Exploring functions of long noncoding RNAs across multiple cancers through   co-expression network, Scientific Reports, 2017, 7:754

14. Liyun Zhang, Yuzhi   Li, YuanYuan, Yuanyuan Jiang, Yanzhi Guo, Menglong Li, Xuemei Pu*,   Molecular mechanism of carbon nanotube to activate Subtilisin Carlsberg in   polar and non-polar organic media, Scientific Reports, 2016,   6:36838

15. Nan Gao, Tao Liang,   Yuan Yuan, Xiuchan Xiao, Yihuan Zhao, Yanzhi Guo, Menglong Li, Xuemei   Pu*, Exploring mechanism of F282L mutation-caused constitutive   activity of GPCR by a computational study, Physical Chemistry   Chemical Physics, 2016, 18, 29412 - 29422

16. Yuanyuan Jiang ,   Yuan Yuan, Xi Zhang, Tao Liang, Yanzhi Guo, Menglong Li, Xumei   Pu*, Use of network model to explore dynamic and allosteric   properties of three GPCR homodimers, RSC Advances., 2016,   6, 106327 - 106339.

17. Xiaojun Zeng, Liyun   Zhang , Xiuchan Xiao , Yuanyuan Jiang , Yanzhi Guo, Xinyan Yu, Xuemei   Pu*, Menglong Li*, Unfolding mechanism of thrombin-binding   aptamer revealed by molecular dynamics simulation and Markov State   Model. Scientific Reports, 2016, 6, 24065

18. Jing Yi, Ying   Xiong, Kemei Cheng, Menglong Li, Genbai Chu, Xuemei Pu*,   Tao Xu*, A Combination of Chemometrics and Quantum Mechanics Methods   Applied to Analysis of Femtosecond Transient Absorption Spectrum of   Ortho-Nitroaniline, Scientific Reports, 2016, 6:19364.

19. Yan Jiao, Ming Li,   Ning Wang, Tao Lu, Liang Zhou, Yan Huang, Zhiyun Lu,* Daibing Luo, and Xuemei   Pu*, A facile color-tuning strategy for constructing a library of   Ir(III) complexes with fine-tuned phosphorescence from bluish green to red   using synergetic substituent effect of –OCH3 and –CN at   merely the C-ring of C^N ligand, Journal of Material Chemistry C,   2016, 4, 4269-4277

20. Minqi Wang, Xuan   He, Qin Xiong, Runyu Jing, Yuxiang Zhang, Zhining Wen, Qifan Kuang, Xuemei   Pu*, Menglong Li and Tao Xu, A facile strategy applied to   simultaneous qualitative-detection on multiple components of mixture samples:   a joint study of infrared spectroscopy and multi-label algorithms on PBX   explosives, RSC Advances, 2016, 6, 4713–4722

21. Tao Lu, Yuan Yuan,   Yan Jiao, Zhining Wen, Lu Wang, Yihuan Zhao, Yuxiang Zhang, Menglong   Li, Xuemei Pu*, Tao Xu, Simultaneous spectrophotometric   quantification of dinitrobenzene isomers in water samples using multivariate   calibration methods, Chemometrics and Intelligent Laboratory   Systems, 2016, 154, 72-79.

22. Liyun Zhang,   Xiuchan Xiao, Yuan Yuan, Yanzhi Guo, Menglong Li, Xuemei Pu,*   Probing Immobilization Mechanism of alpha-chymotrypsin onto Carbon Nanotube   in Organic Media by Molecular Dynamics Simulation, Scientific   Reports, 2015, 5: 9297

23. Yayun Hu, Yanzhi   Guo,* Yinan Shi, Menglong Li and Xuemei Pu*, A consensus   subunit-specific model for annotation of substrate specificity for ABC   transporters, RSC Advances, 2015, 5, 42009–42019

24. Xiuchan Xiao,   Xiaojun Zeng, Yuan Yuan, Nan Gao, Yanzhi Guo, Xuemei Pu*,   Menglong Li*, Understanding the conformation transition in the   activation pathway of β2 adrenergic Receptor via Target Molecular Dynamics   Simulation. Physical Chemistry Chemical Physics, 2015,   17, 2512 – 2522

25. Yunqing Chen, Yi   Wang, Yuan Yuan, Yan Jiao, Xuemei Pu,* and Zhiyun Lu,   Deactivation Mechanism of a Novel AIE-active Naphthalimide Derivative in More   Polar Solutions. Physical Chemistry Chemical Physics, 2015,   17, 1309 – 1316

26. Tao Lu, Yuan Yuan,   Xuan He, Menglong Li, Xuemei Pu*, Tao Xu*, Zhining Wen,   Simultaneous determination of multicomponent in explosives using ultraviolet   spectrophotometry and partial least square method, RSC advances,   2015, 5, 13021 – 13027

27. Tao Lu, Zhining   Wen, Lu Wang, Xuan He, Yuan Yuan, MinqiWang, Yihuan Zhao, Menglong Li, Xuemei   Pu*, Tao Xu*, Quantitative determination on binary-component polymer   bonded explosives: A joint study of ultraviolet spectrophotometry and   multivariate calibration methods, Chemometrics and Intelligent   Laboratory Systems, 2015, 147, 131–138




关闭