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新疆理化技术研究所高洪伟 男 博导
 

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考研一对一:学长带队,复习不累计算化学

 

 

1.计算新材料:主要从事第一原理和密度泛函DFT方面的计算机模拟技术研究,应用计算机模拟技术解决环境催化新材料新能源材料高分子复合材料纳米材料电池材料等在大气净化、水污染处理、固体废弃物处理、石油化工方面的实际问题。研究成果推广后能够产生良好的社会和经济效益。

2.计算机辅助药物设计: 中草药和天然产物的计算机虚拟筛选;②抗体的结构设计和改造;③ 蛋白质稳定性改进;④药物制剂的结构设计;⑤生物分子膜、生物材料、生物医用材料的结构和功能模拟

 

 

招生信息

 

 

 

 

专业方向为化学、化工、环保、环境科学、药学等相关专业。具有一定的计算化学、计算物理或计算生物背景的学生优先考虑;能熟练运用 Materials Studio8.0, Discovery Studio2018,Gaussian09,ADF, Hyperchem, VASP或Spartan等一些常用的计算软件的学生优先考虑。

 

 

 

 

招生专业
070320-计算机化学
077601-环境科学
071023-计算生物学
招生方向
吸附分离材料;无机功能材料;纳米材料与加工技术
计算材料
计算机辅助药物设计

教育背景

   
博士

 

 

 

 

 

 

2001.07-2006.07北京中国科学院生态与环境研究中心,环境科学专业,博士

 

 

 

 

 

 

硕士
1998.07-2001.07 曲阜师范大学,                    物理化学专业,硕士

 

联系方式

联系电话:  15899218136 (微信同)      

 E-mail: gaohongw369@163.com 

QQ: 1921239553

工作简历
2014-06~现在, 中科院新疆理化所, 研究员
2010-09~2014-06,美国滨州州立大学(PSU)化学工程系, 博士后
2007-08~2010-08,温州医科大学, 副研究员
2006-07~2007-08,加拿大麦克玛斯特 (Mcmaster)大学, 博士后
社会兼职
2009-07-01-2011-07-31,温州市平阳县科技特派员, 科技特派员

教授课程

   
计算化学
   
计算机辅助药物设计
   

专利与奖励

1)10国家青年****2014.1.24,环境科学与技术;中共中央组织部;

2) 2010.12.23, 柴油车氮氧化物净化技术的计算机模拟研究,浙江省高等学校科研成果奖二等奖;浙江省教育厅;

3) 2009.08.18浙江省“新世纪151人才工程”第三层次培养人员等,浙江省“新世纪151人才工程”联席会议办公室

4) 2010温州市“新世纪551人才工程”第三层次培养人员;

5) 2010年温州市优秀科技特派员

6) 2010年温州医科大学第二批校级中青年学科带头人

 

奖励信息
   
专利成果
   

出版信息

1区代表性第一作者或通讯作者SCI论文2篇:

[1] Hongwei Gao*Predicting tyrosinase inhibition by 3D QSAR pharmacophore models and designing potential tyrosinase inhibitors from Traditional Chinese Medicine Database, Phytomedicine201838, 145-157. (2017 IF=3.5261区,全科医学与补充医学SCIE)

[2] Hongwei Gao*, CO Oxidation Mechanism on the γ-Al2O3 Supported Single Pt Atom: First Principle Study, Applied Surface Science2016379, 347-357.(2017 IF=3.3871区,材料科学:膜SCISCIE)

 

2区代表性第一作者或通讯作者SCI论文20篇:

[3] Gulmira Turdu, Yingying Jiang, Madina KabasAzizullo Musoev, Hongwei Gao*, Dipeptidyl peptidase-IV inhibitors as anti-diabetic agents – A brief reviewFuture Medicinal Chemistry, 2018, 10(10): 1229-1239. (2017 IF=3.556,  2区,药物化学,SCIE)

[4] Azizullo Musoev, Sodik Numonov, Yingying Jiang, Hongwei Gao*Madina Kabas, The novel inhibitors of DPP-IV predicted by 3D QSAR pharmacophore models, molecular docking and de novo evolutionFuture Medicinal Chemistry, 2018, in press, xxx-xxx. (2017 IF=3.556, 2区,药物化学,SCIE)

[5] Hongwei Gao*, Theoretical analysis of CO + NO reaction mechanism on the single Pd atom embedded in γ-Al2O3(110) surfaceApplied Catalysis A: General,2017, 529, 156-166. (2017 IF=4.3392区,化学,SCISCIE)

[6] Ting Chen, Hui Yang, Hongwei Gao, Mingkai Fu, Shizhe Huang, Wei Zhang, Guangxin Hu, Fanghui Liu, Aiqing Ma, Keji Sun, and Jinben Wang, Adsorption and Orientation of 3,4-DihydroxyLphenylalanine onto Tunable Monolayer Films, J. Phys. Chem. C, 2017, 121, 11544-11551.(2017 IF=4.5362区,化学,SCISCIE)

[7]Yue Yang, Hongwei Gao*, Density functional theory study on the molecular structure and vibration spectra of fenbufen, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy2013101, 119-126. (2017 IF=2.5362区,物理,SCISCIE)

[8]Yue Yang, Hongwei Gao*Theoretical structure and vibrational spectra of ciprofloxacin: Density functional theory study, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy2013102, 134-141. (2017 IF=2.5362区,物理,SCISCIE)

[9] Lekun Liu, Hongwei Gao*, Zhaozhe Cui, Molecular structure and vibrational spectra studies on antipyrine derivative, 4-(2,3,4-trihydroxybenzylideneamino) antipyrine, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy2013112, 191-197. (2017 IF=2.5362区,物理,SCISCIE)

[10] Hongwei Gao*,  Yue Yang,  Lekun Liu, A comparative DFT study of the structure and vibration spectra of the intermediate of the OCS heterogeneous reaction, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy201286, 115-119. (2017 IF=2.5362区,物理,SCISCIE)

[11] Lekun Liu, Hongwei Gao*, Quantum chemistry study of molecular structure and vibrational spectrum of naproxen, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy201286, 131-138. (2017 IF=2.5362区,物理,SCISCIE)

[12] Lekun Liu, Hongwei Gao*, Molecular structure and vibrational spectra of ibuprofen using density function theory calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy201289, 201-209. (2017 IF=2.5362区,物理,SCISCIE)

[13]Yue Yang, Hongwei Gao*, Comparison of DFT methods for molecular structure and vibration spectra of ofloxacin calculations, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy201285, 303-309. (2017 IF=2.5362区,物理,SCISCIE)

[14] Lekun Liu, Hongwei Gao*, First principles study on the molecular structure and vibrational spectra of ketoprofen, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 201297, 329-339. (2017 IF=2.5362区,物理,SCISCIE)

[15] Hongwei Gao*, FengYi Xia, Changjiang Huang, Kuangfei Lin*, Density functional theory calculations on the molecular structures and vibration spectra of platinum (II) antitumor drugs, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy201178, 1234-1239.         (2017 IF=2.5362区,物理,SCISCIE)

[16] Huizhi Lv, Hongwei Gao*, Yue Yang, Lekun LiuDensity functional theory (DFT) investigation on the structure and electronic properties of the cubic perovskite PbTiO3Applied Catalysis A: General, 2011, 404, 54-58. (2017 IF=4.3392区,化学,SCISCIE)

[17] Hongwei Gao*Theoretical studies of molecular structures and properties of platinum (II) antitumor drugs, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy201179, 687-693(2017 IF=2.5362区,物理,SCISCIE)

[18] Hongwei Gao*, Xiujuan Wei, Xuting LiuChangjiang Huang*, DFT calculation of molecular structures and vibrational spectra of antitumor drugs: cis-[Pt(CH3CN)2Cl2]Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy201077, 461-465. (2017 IF=2.5362区,物理,SCISCIE)

[19] Hongwei Gao*, Tingxia Yan, Yunbo Yu, Hong HeDFT and DRIFTS studies on the adsorption of acetate on the Ag/Al2O3 catalystJ. Phys. Chem. C, 2008, 112 (17), 6933-6938.  (2017 IF=4.5362区,化学,SCISCIE)

[20] Hongwei Gao*, Wenqing Xu, Hong He, Xiaoyan Shi, Ken-ichi Tanaka, DRIFTS investigation and DFT calculation of the adsorption of CO on Pt/TiO2, Pt/CeO2and FeOx/Pt/CeO2.Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2008, 71(4), 1193-1198. (2017 IF=2.5362区,物理,SCISCIE)

[21] Hongwei Gao and Hong He*, Conformational analysis and comparison between theoretical and experimental vibration spectra for isocyanate species on Ag/Al2O3 catalyst, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 200561(6), 1233-1238. (2017 IF=2.5362区,物理,SCISCIE)

[22] Hongwei Gao, Hong He*, Qingcai Feng, and Jin Wang, Theoretical and experimental study on formation and adsorption of enolic species on Ag-Pd/Al2O3catalyst, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 200561, 3117-3123. (2017 IF=2.5362区,物理,SCISCIE)

 

 

 


 

 

 

 
 
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