1、基本情况
禹新良，男，1968年出生，博士（师从俞汝勤院士），教授。湖南工程学院纺织化学与染整工程专业及湘潭大学物理化学专业硕士生导师。主讲课程《聚合反应工程》、《材料化学》、《专业英语》、《高分子化学》、《功能高分子材料》等。参与了国家自然科学基金重大项目研究（“核酸适配体的筛选与分子识别基础研究”），以第一作者发表SCI收录学术论文40多篇。曾获湘潭大学十一届研究生校长特等奖；硕士论文《烯烃聚合物结构–性能定量关系研究》被评为湖南省优秀硕士论文；获湖南省2011年度自然科学三等奖；获湖南省第十二届、十四届、十五届自然科学优秀学术论文奖。
2、学习及教育经历
2012～2016湖南大学化学专业，获博士学位，导师：俞汝勤
2003～2006湘潭大学物理化学专业，获硕士学位，导师：王学业
3、工作经历
1994～2003湘潭电化集团公司，工程师
2006～至今湖南工程学院，讲师、副教授、教授
4、研究方向
化学信息学、数据处理
5、发表论文及著作
[1] Xinliang Yu, Lisha Xu, Yali Zhu, Shuo Lu, Limin Dang. Correlation between 13C NMR chemical shifts and complete sets of descriptors of natural coumarin derivatives, Chemometrics and Intelligent Laboratory Systems, 2019, 184: 167–174(SCI、EI收录)IF = 2.701.JCR 1区期刊、中科院2区期刊
[2] X. Yu, Y. Wang, H. Yang, X. Huang. Prediction of the binding affinity of aptamers against the influenza virus, SAR and QSAR in Environmental Research, 2019, 30:1, 51-62(SCI收录)IF = 2.227.JCR 1区期刊
[3] Xinliang Yu, Limin Dang. Complete sets of descriptors for the prediction of 13C NMR chemical shifts of quinoline derivatives, Journal of Chemometrics. 2019, 33:e3107(SCI、EI收录)IF = 1.500.JCR 1区期刊、中科院2区期刊
[4] 禹新良. SELEX筛选核酸适配体富集水平理论分析,中国科学化学, 2017, 47(7): 891-895.
[5] Xinliang Yu, Lei Huang. Prediction of the onset temperature of decomposition of lubricant additives, Journal of Thermal Analysis and Calorimetry, 2017, 130(2): 943-947. IF = 1.953 (SCI、EI收录)
[6] Xinliang Yu, Ruqin Yu, Xiaohai Yang. Pattern recognition of enrichment levels of SELEX-based candidate aptamers for human C-reactive protein. Biomedizinische Technik. Biomedical Engineering, 2017, 62(3):333-338. IF = 1.650
[7] Xinliang Yu, Rimeng Zhan, Jiyong Deng, Xianwei Huang. Prediction of the maximum non-seizure load of lubricant additives. Journal of Theoretical and Computational Chemistry, 2017, 16, 1750014.
[8] Xinliang Yu, Xianwei Huang. Prediction of glass transition temperatures of polyacrylates from the structures of motion units. Journal of Theoretical & Computational Chemistry, 2016, 15(02), 1650011. IF = 0.619
[9] Xinliang Yu, Jiyong Deng, Bing Yi, Wanqiang Liu, Predicting rate constants of hydroxyl radical reactions with alkenes and aromatics, Journal of Atmospheric Chemistry, 2015, 72(2):129-141. IF = 1.550
[10] Xinliang Yu, Ruqin Yu, Lijuan Tang, Qiuping Guo, Yan Zhang, Yu Zhou, Qin Yang, Xiaoxiao He, Xiaohai Yang, Kemin Wang. Recognition of candidate aptamer sequences for human hepatocellular carcinoma in SELEX screening using structure–activity relationships. Chemometrics and Intelligent Laboratory Systems, 2014, 136, 10–14. IF = 2.701.JCR 1区期刊、中科院2区期刊
[11] Xinliang Yu, Yixiong Yu. A Mathematical Analysis of the Selective Enrichment of NECEEM-Based Non-SELEX. Applied Biochemistry and Biotechnology, 2014,173, 2019–2027. IF = 1.687.
[12] Xinliang Yu, Jiyong Deng, Bing Yi. Prediction of rate constants for nitrate radical using a SVM model based on density function theory. Environmental engineering and management journal, 2014, 13(2), 315-322. IF = 1.258
[13] Xinliang Yu1, Yixiong Yu, Qun Zeng. Support Vector Machine Classification of Streptavidin Binding Aptamers. PLOS ONE 2014, 9(6),e99964. IF=4.285.中科院2区期刊(2013年)
[14] Xinliang Yu, Ruqin Yu. Prediction of the Q–e parameters from transition state structures, Polymer Engineering & Science, 2013, 53(10), 2151–2158. IF = 1.441.
[15] Xinliang Yu, Ruqin Yu. Setschenow constant prediction based on the IEF-PCM Calculations. Industrial & Engineering Chemistry Research, 2013, 52, 11182−11188. IF = 2.235.中科院2区期刊
[16] Xinliang Yu, Bing Yi, Xueye Wang, Jianfang Chen, Predicting reaction rate constants of ozone with organic compounds from radical structures. Atmospheric Environment, 2012, 51, 124–130. IF = 3.062.中科院2区期刊
[17] Xinliang Yu, Xueye Wang, Bo Li, Prediction of the Q-e parameters from radical structures. Colloid and Polymer Science, 2010, 288, 951–958. IF = 2.410
[18] 禹新良,自由基共聚合中单体Q-e活性参数预测.化学学报, 2010, 68 (22), 2264–2272. IF = 0.874
[19] Xinliang Yu, Wenhao Yu, Xueye Wang. A simple three-descriptor model for the prediction of glass transition temperatures of vinyl polymer. Journal of Applied Polymer Science, 2010, 115 3721-3726. IF = 1.640
[20] Xinliang Yu, Wenhao Yu, Bing Yi, Xueye Wang. Artificial neural network prediction of steric hindrance parameter of polymers. Chemical Papers, 2009, 63 (4), 432–437. IF = 1.191
[21] Xinliang Yu, Wenhao Yu, Bing Yi, Xueye Wang. Prediction of monomer reactivity ratios in radical copolymerization of vinyl monomers. Collection of Czechoslovak Chemical Communications, 2009, 74 (9), 1279–1294. IF = 1.137
[22] Xinliang Yu, Wanqiang Liu, Fang Liu, Xueye Wang. DFT-based theoretical QSPR models for the Q-e parameters for the prediction of reactivity in free-radical copolymerizations. Journal of Molecular Modeling, 2008, 14, 1065–1070. IF = 1.867
[23] Xinliang Yu, Bing Yi, Wenhao Yu, Xueye Wang. DFT-based quantum theory QSPR studies of molar heat capacity and molar polarization of vinyl polymers. Chemical Papers, 2008, 62 (6), 623–629. IF = 1.191
[24] Xinliang Yu, Bing Yi, Fang Liu, Xueye Wang. Prediction of the dielectric dissipation factor tan δ of polymers with an ANN model based on the DFT calculation. Reactive and Functional Polymers, 2008, 68, 1557-1562. IF = 2.822.中科院2区期刊
[25] Xinliang Yu, Bing Yi, Xueye Wang. Quantitative structure-property relationships for the reactivity parameters of acrylate monomers. European Polymer Journal, 2008, 44, 3997-4001. IF = 3.242.中科院2区期刊
[26] Xinliang Yu, Bing Yi, Zhimin Xie, Xueye Wang, Fang Liu. Prediction of the conformational property for polymers using quantum chemical descriptors. Chemometrics and Intelligent Laboratory Systems, 2007, 87, 247–251. IF = 2.381中科院2区期刊
[27] Xinliang Yu, Bing Yi, Xueye Wang. Prediction of refractive index of vinyl polymers by using density functional theory. Journal of Computational Chemistry, 2007, 28, 2336–2341. IF = 3.601.中科院2区期刊
[28] Xinliang Yu, Zhimin Xie, Bing Yi, Xueye Wang, Fang Liu. Prediction of the thermal decomposition property of polymers using quantum chemical descriptors. European Polymer Journal, 2007, 43, 818–823. IF = 3.242.中科院2区期刊
[29] Xinliang Yu, Bing Yi, Xueye Wang, Zhiming Xie. Correlation between the glass transition temperatures and multipole moments for polymers. Chemical Physics, 2007, 332, 115–118. IF = 2.028
[30] Xinliang Yu, Xueye Wang, Hanlu Wang, Xiaobing Li, Jinwei Gao. Prediction of solubility parameters for polymers by a QSPR Model. QSAR and Combinatorial Science, 2006, 25, 156–161. IF = 2.013.中科院2区期刊
[31] Xinliang Yu, Xueye Wang, Xiaobing Li, Jinwei Gao, Hanlu Wang. Prediction of glass transition temperatures for polystyrenes by a four-descriptors QSPR model. Macromolecular Theory & Simulations, 2006, 15: 94–99. IF = 1.793
[32] Xinliang Yu, Xueye Wang, Xiaobing Li, Jinwei Gao, Hanlu Wang. Quantitative structure–property relationship studies of polymeric cohesive energy by density functional theory. Journal of Polymer Science: Part B: Polymer Physics, 2006, 44, 409–415. IF = 2.548.中科院2区期刊
[33] Xinliang Yu, Xueye Wang, Hanlu Wang, Aihong Liu, Cuili Zhang. Prediction of the glass transition temperatures of styrenic copolymers using a QSPR based on the DFT Method. Journal of Molecular Structure: THEOCHEM, 2006, 766, 113–117. IF = 1.368
[34] 禹新良,王学业,高进伟,李小兵,王寒露.用量子化学参数研究烯烃聚合物定量构效关系.化学学报, 2006, 64(7), 629–636. IF = 0.874
[35] Xinliang Yu, Xueye Wang, Jinwei Gao, Xiaobing Li, Hanlu Wang. QSPR studies of polyvinyls by density functional theory. Polymer, 2005, 46, 9443–9451. IF = 3.766.中科院2区期刊
6、科研项目
[1]活性染料结构与性能定量关系研究，湖南工程学院博士基金项目，2017-2019，10万，主持
[2]计算机辅助人肝癌细胞Bel-7404与SMMC-7721的双功能核酸适配体设计（16A047)，教育厅重点项目，2016-2018，4万，主持
[3]核酸适配体的SELEX筛选过程数学模拟,化学生物传感与计量学国家重点实验室开放基金课题（2016013), 2017-2018，3万，主持
[4]从过渡态结构研究烯烃单体活性变化规律(12JJ6011)，湖南省自然科学基金，2012-2014，3万，主持
[5]自由基共聚合中烯类单体结构与活性关系研究(10HJYH06)，环境友好化学与应用教育部重点实验室开放课题，2010-2011，1万，主持
7、奖励与荣誉
[1] 2014年湖南省自然科学优秀学术论文二等奖，排名第一
[2] 2013年湖南工程学院科技成果一等奖，排名第三
[3] 2012年湖南省自然科学奖三等奖，排名第二
[4] 2012年湖南省自然科学优秀学术论文三等奖，排名第一
[5] 2008年湖南省自然科学优秀学术论文二等奖，排名第一
[6] 2008年湖南省优秀硕士论文
[7] 2006年湘潭大学研究生校长特等奖
8、联系方式
电话：13975274664
地址：湖南省湘潭市岳塘区东湖路湖南工程学院化学化工学院实验楼513
邮箱：yxl@hnie.edu.cn
