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化学进展 2012, Vol. 24 Issue (07): 1236-1244 前一篇   后一篇

• 综述与评论 •

离子液体的定量结构-性质/活性研究

赵永升1, 张香平2, 赵继红*1, 张宏忠1, 康雪晶1, 董峰1   

  1. 1. 郑州轻工业学院 郑州 45000;
    2. 中国科学院过程工程研究所 北京 100190
  • 收稿日期:2011-10-01 修回日期:2011-12-01 出版日期:2012-07-24 发布日期:2012-06-30
  • 通讯作者: 赵继红 E-mail:zjh@zzuli.edu.cn
  • 基金资助:

    国家自然科学基金重点项目(No.21036007)资助

下载PDF ( 1378 ) 引用
导出 被引次数 ( 5 | 1 )

Research of QSPR/QSAR for Ionic Liquids

Zhao Yongsheng1, Zhang Xiangping2, Zhao Jihong1, Zhang Hongzhong1, Kang Xuejing1, Dong Feng1   

  1. 1. Zhengzhou University of Light Industry, Zhengzhou 45000;
    2. Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, China
  • Received:2011-10-01 Revised:2011-12-01 Online:2012-07-24 Published:2012-06-30
本文系统介绍了离子液体定量结构-性质/活性相关(QSPR/QSAR)的研究方法和步骤,综述了QSPR/QSAR在离子液体的熔点、有机物在离子液体中的无限稀释活度系数、离子液体的表面张力、离子液体的电导率、有机物在离子液体中的溶解度、离子液体的黏度以及离子液体的生物毒性和降解性等方面的最新研究进展,总结了该方法的优缺点,并对未来的研究趋势进行了展望。
关键词： 离子液体, 定量结构-性质相关(QSPR), 定量结构-活性相关(QSAR)
Ionic liquids, which are considered as the sustainable “green product”, are gaining increasing interest due to their physical and chemical characteristics. Although a lot of efforts have been focused on the investigation of their syntheses and applications, structure-property/activity relationships of ionic liquids are poorly known to us. The quantitative structure-property/activity relationships (QSPR/QSAR) research methods and steps are described systematically in this article. The latest researches of quantitative structure-property/activity relationships on the melting points of ionic liquids, the infinite dilution activity coefficients of organic compounds, surface tensions of ionic liquids, conductivities of ionic liquids, solubility of organic solutes in ionic liquids, viscosities of ionic liquids and biological toxicity and degradation of ionic liquids are reviewed. Both advantages and disadvantages of the QSPR/QSAR used in the ionic liquid property prediction are discussed, and the prospective of this research area is proposed. Contents
1 Introduction
2 Methods of QSPR/QSAR
3 QSPR/QSAR for ionic liquids
3.1 QSPR/QSAR for melting points of ionic liquids
3.2 QSPR/QSAR for infinite dilution activity coefficients of organic compounds in ionic liquids
3.3 QSPR/QSAR for surface tensions of ionic liquids
3.4 QSPR/QSAR for conductivities of ionic liquids
3.5 QSPR/QSAR for solubility of organic solutes in ionic liquids
3.6 QSPR/QSAR for viscosities of ionic liquids
3.7 QSPR/QSAR for biological toxicity of ionic liquids
3.8 QSPR/QSAR for degradation of ionic liquids
4 Conclusion and outlook
Key words: ionic liquids (ILs), quantitative structure-property relationships (QSPR), quantitative structure-activity relationships (QSAR)

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[1] Matsumoto H, Yanagida M, Tanimoto K, Nomura M, Kitagawa Y, Miyazaki Y. Chem. Lett., 2000, 29(8): 922-923
[2] Seddon K R. J. Chem. Tech. Biotechnol., 1997, 68: 351-356
[3] Rogers R D, Seddon K R. Science, 2003, 302(5646): 792-793
[4] Chiappe C, Pieraccini D. J. Phys. Org. Chem., 2005, 18(4): 275-297
[5] Ranke J, Stolte S, Strmann R, Aring J, Jastorff B. Chem. Rev., 2007, 107(6): 2183-2206
[6] Izgorodina E I. Phys. Chem. Chem. Phys., 2011, 13: 4189-4207
[7] Wiener H. J. Am. Chem. Soc., 1947, 69 (1): 17-20
[8] Blum D J W, Speece R E. Environmental Science and Technology, 1990, 24(3): 284-293
[9] Meyer H. Arch. Exp. Pathol. Pharmakol., 1899, 42: 109-118
[10] Overton E. Vierteljahresschr., 1899, 44: 88-135
[11] Hansch C, Fujita T. Nature, 1962, 194: 178-179
[12] Hansch C, Fujita T. J. Am. Chem. Soc., 1964, 86(8): 1616-1626
[13] Free S M, Wilson J W. J. Med. Chem., 1964, 7(4): 395-399
[14] Lyman W J, Reehl W F, Rosenblatt D H. Handbook of Chemical Property Estimation Methods. New York: McGrawHill, 1982
[15] Murugan R, Grendze M P, Toomey J E, Katritzky A R, Karelson M, Lobanov V, Rachwal P. Chemtech, 1994, 24: 17-23
[16] Katritzky A R, Maran U, Lobanov V S, Karelson M. J. Chem. Inf. Comput. Sci., 2000, 40(1): 1-18
[17] Taskinen J, Yliruusi J. Adv. Drug Deliv. Rev., 2003, 55: 1163-1183
[18] 田鹏(Tian P), 康艳红(Kang Y H), 宋溪明(Song X M). 绿色溶剂——离子液体的相平衡和微观结构(Green Solvents——The Phase Equilibria and Microstructure of Ionic liquids). 北京: 科学出版社(Beijing: Science Press), 2009. 2
[19] 张星辰(Zhang X C). 离子液体——从理论基础到研究进展(Ionic Liquid——From Theoretical Basis to Study-Progress). 北京: 化学工业出版社(Beijing: Chemical Industry Press), 2009. 19
[20] Katritzky A R, Lomaka A, Petrukhin R, Jain R, Karelson M, Visser A E, Rogers R D. J. Chem. Inf. Comput. Sci., 2002, 42(1): 71-74
[21] Katritzky A R, Jain R, Lomaka A, Petrukhin R, Karelson M, Visser A E, Rogers R D. J. Chem. Inf. Comput. Sci., 2002, 42(2): 225-231
[22] Sun N, He X Z, Dong K, Zhang X P, Lu X M, He H Y, Zhang S J. Fluid Phase Equilibria, 2006, 246(1/2): 137-142
[23] 闫超群(Yan C Q), 万辉(Wan H), 管国锋(Guan G F). 物理化学学报(Acta Phys. Chim. Sin.), 2008, 24(12): 2198-2202
[24] Li W, Qi C S, Wu X M, Rong H, Gong L F. Acta Phys. Chim. Sin., 2011, 27(9): 2059-2064
[25] 郑燕升(Zheng Y S), 莫倩(Mo Q), 刘昭明(Liu Z M). 化学进展(Progress in Chemistry), 2009, 21(9): 1772-1780
[26] 朱吉钦(Zhu J Q), 于燕梅(Yu Y M), 陈健(Chen J), 费维扬(Fei W Y). 化工学报(Journal of Chemical Industry and Engineering), 2006, 57(8): 1835-1840
[27] 葛明兰(Ge M L), 焦玉海(Jiao Y H), 易玉峰(Yi Y F), 李翠清(Li C Q). 计算机与应用化学(Computers and Applied Chemistry), 2010, 27(11): 1481-1484
[28] Deetlefs M, Seddon K R, Shara M. Phys. Chem. Chem. Phys., 2006, 8: 642-649
[29] Knot T A, Wilding W V, Oscarson J L, Rowley R L. J. Chem. Eng. Data, 2001, 46(5): 1007-1012
[30] Gardas R L, Coutinho J A P. Fluid Phase Equilibria, 2008, 265: 57-65
[31] 李淑彩(Li S C). 河南大学硕士论文(Master Dissertation of Henan University), 2007
[32] Matsuda H, Yamamoto H, Kurihara K, Tochigi K. Fluid Phase Equilibria, 2007, 261(1/2): 434-443
[33] Tochigi K, Yamamoto H. J. Phys. Chem. C, 2007, 111(43): 15989-15994
[34] Bini R, Malvaldi M, Pitner W R, Chiappe C. J. Phys. Org. Chem., 2008, 21(7/8): 622-629
[35] Katritzky A R, Kuanar M, Stoyanova-Slavova I B, Slavov S H, Dobchev D A, Karelson M, Acree W E. J. Chem. Eng. Data, 2008, 53 (5): 1085-1092
[36] 潘善飞(Pan S F), 胡桂香(Hu G X), 吕杨(Lü Y), 邹建卫(Zou J W), 余庆森(Yu Q S). 物理化学学报(Axta Phys. Chim. Sin.), 2010, 26(9): 2494-2502
[37] Cruciani G, Crivori P, Carrupt P A, Testa B. J. Mol. Struct: THEOCHEM, 2000, 503(1/2): 17-30
[38] Gu Z, Brennecke J F. J. Chem. Eng. Data, 2002, 47(2): 339-345
[39] Han C, Yu G R, Wen L, Zhao D C, Asumana C, Chen X C. Fluid Phase Equilibria, 2011, 300(1/2): 95-104
[40] Bernot R J, Brueseke M A, Evans-White M A, Lamberti G A. Environ. Toxicol. Chem., 2005, 24(1): 87-92
[41] Jastorff B, Mlter K, Behrend P, Bottin-Weber U, Filser J, Heimers A, Ondruschka B, Ranke J, Schaefer M, Schrder H, Stark A, Stepnowski P, Stock F, Strmann R, Stolte S, Welz-Biermann U, Ziegert S, Thming J. Green Chem., 2005, 7: 362-372
[42] Pretti C, Chiappe C, Pieraccini D, Gregori M, Abramo F, Monni G, Intorre L. Green Chem., 2006, 8: 238-240
[43] 张锁江(Zhang S J), 吕兴梅(Lü X M). 离子液体——从基础研究到工业应用(Ionic Liquids——From Basic Research to Industry Applications). 北京: 科学出版社(Beijing: Science Press), 2006
[44] 陈志刚(Chen Z G), 宗敏华(Zong M H), 顾振新(Gu Z X). 有机化学(Chinese Journal of Organic Chemistry), 2009, 29(5): 672-680
[45] Couling D J, Bernot R J, Docherty K M, Dixon J K, Maginn E J. Green Chem., 2006, 8: 82-90
[46] Fatemi M H, Izadiyan P. Chemosphere, 2011, 84: 553-563
[47] Hossain M I, Samir B B, El-Harbawi M, Masri A N, Mutalib M I A, Hefter G, Yin C Y. Chemosphere, 2011, 85(6): 990-994
[48] 吴波(Wu B), 张玉梅(Zhang Y M), 王华平(Wang H P). 化工进展(Chemical Industry and Engineering Progress), 2008, 27(6): 814-818
[49] 张瑶(Zhang Y). 北京化工大学硕士论文(Master Dissertation of Beijing University of Chemical Technology), 2010
[50] 张锁江(Zhang S J), 徐春明(Xu C M), 吕兴梅(Lü X M), 周清(Zhou Q). 离子液体与绿色化学(Ionic Liquids and Green Chemistry). 北京: 科学出版社(Beijing: Science Press), 2009. 93
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