Citation: TAO Wan-Jun, LI Chen-Wen, YIN Zong-Ning. Design of Self-Emulsifying System Based on QSAR[J]. Acta Physico-Chimica Sinica, ;2011, 27(01): 71-77. doi: 10.3866/PKU.WHXB20101222 shu

Design of Self-Emulsifying System Based on QSAR

1.
Key Laboratory of Drug Targeting and Novel Drug Delivery Systems of Ministry of Education, West China School of Pharmacy, Sichuan University, Chengdu 610041, P. R. China

Received Date: 6 August 2010
Available Online: 8 November 2010
Fund Project: 国家自然科学基金(30973659)资助项目 (30973659)

Quantitative structure-activity relationships (QSARs) were used to design self-emulsifying delivery system. Ab initio calculations were carried out at the HF/6-31G^* level. The influences of component ratio, stereoscopic effect, hydrophobic interactions, and the electric effect on the microemulsion areas and the size of the self-emulsifying systems were investigated. The microemulsion areas and sizes were correlated to the generated descriptors and the ratio of the components using multiple linear regression analysis (MLR). Validation was carried out by a predictive-ability test. The ratio of surfactant to co-surfactant had the most impact on the phase behavior of the self-emulsifying systems. The size of the self-emulsifying system increased with an increase in the amount of oil and co-surfactant and decreased with an increase in the amount of surfactant. Interactions between the components had little influence on the properties of the systems. The models had significant predictive power except for the model of isopropyl myristate (IPM). QSARis a new method to investigate the preparation of self-emulsifying systems.
- Self-emulsifying system,
- Quantitative structure-activity relationship,
- Phase behavior,
- Size,
- Prediction
1. [1]
  
  1. Lu, J. L.;Wang, J. C.; Zhao, S. X. Eur. J. Pharm. Biopharm., 2008, 69: 899
2. [2]
  2. ddeeris, C.; Coacci, J.; Mooter, G. Eur. J. Pharm. Biopharm., 2007, 66: 173
3. [3]
  3. Eman, A.; Albert, A.; Belmonte. Eur. J. Pharm. Sci., 2008, 35: 257
4. [4]
  4. Prabagar, B.; Beom, J. L.; Dong, H. Eur. J. Pharm. Biopharm., 2009, 72:539
5. [5]
  5. Walt, M.; Ping, G. Developing Solid Oral Dosage Forms, 2009: 443
6. [6]
  6. Gursoy, R. N.; Simon, B. Biomed. Pharmacother., 2004, 58: 173
7. [7]
  7. Prince, L. M. Microemulsions, theory and practice. New York: Academic Press, 1977
8. [8]
  8. Gershanik, T.; Benita, S. Eur. J. Pharm. Biopharm., 2000, 50: 179
9. [9]
  9. Shinoda, K.; Araki, M.; Sadaghiani, A. J. Phys. Chem., 1991, 95: 989
10. [10]
  10. Swenson, E. S.; Milisen,W. B.; Curatolo,W. Pharm. Res., 1994, 11: 1132
11. [11]
  11. Pasha, F. A.; Muddassar, M.; Cheolju, L.; Seung, J. C. Environ. Toxicol. Pharmacol., 2008, 26: 128
12. [12]
  12. Mohammad, G.; Matheus, P. F. Eur. J. Med. Chem., 2010, 45: 1352
13. [13]
  13. Pasha, F. A.; Muddassar, M.; Seung, J. C. ; Kaleem, A.; Yakub, B. Eur. J. Med. Chem., 2008, 43:2361
14. [14]
  14. Bertosa, B.; Aleksic, M.; Karminiski-Zamola, G.; Tomic, S. Int. J. Pharm., 2010, 394:106
15. [15]
  15. Markus, A. L. Drug Discov. Today, 2007, 12:1013
16. [16]
  16. Vladimir, P.; Maria, G. Drug Discov. Today, 2008, 13:952
17. [17]
  17. Taravat, G; Mohammad, B.; Siavoush, D. Int. J. Pharm., 2006, 319: 82
18. [18]
  18. Tia , L.; Moda, C. A.; Montanari; Adriano, D. Bioorg. Med. Chem., 2008, 16: 7944
19. [19]
  19. Taravat, G.; Arezoo, S.; Khosro, A. J. Pharm. Sci., 2007, 96: 3334
20. [20]
  20. Agatonovic, K. S.; Beresford, R. J. Pharm. Biomed. Anal., 2000, 22:717
21. [21]
  21. Ljiljana, D.; Svetlana, I.; Marija, P. Int. J. Pharm., 2008, 361:41
22. [22]
  22. Ma, L.; Li, X. F.; Gan, M. Y. Acta Phys. -Chim. Sin., 2010, 26: 541
23. [23]
  [马利, 黎小峰, 甘孟瑜. 物理化学学报, 2010, 26: 541]
24. [24]
  23. Li, J. C.; Qiu, X. Q.; Yang, D. J. Chin. J. Chem. Eng., 2010, 24: 1
25. [25]
  [李嘉诚, 邱学青, 杨东杰. 高校化学工程学报, 2010, 24:1]
26. [26]
  24. Yan, J. H.; Zhang, M.; Lian, H. Z. Chem. J. Chin. Univ., 2005, 26: 1006
27. [27]
  [阎景辉, 张鸣, 连洪州. 高等学校化学学报, 2005, 26: 1006]
28. [28]
  25. Frisch, M. J.; Trucks, G.W.; Schlegel, H. B.; et al. Gaussian 03. Revision C.02.Wallingford, CT: Gaussian Inc., 2004
29. [29]
  26. Zheng, Y. J.; ELI,W. Acta Phys. -Chim.Sin., 2008, 24: 2143
30. [30]
  [郑永军, 吾满江·艾力. 物理化学学报, 2008, 24: 2143]
31. [31]
  27. Ping, Z.; Ying, L.; Nianping, F. Int. J. Pharm., 2008, 355: 269
1. [1]
  Haiyu Nie , Chenhui Zhang , Fengpei Du . Ideological and Political Design for the Preparation, Characterization and Particle Size Control Experiment of Nanoemulsion. University Chemistry, 2024, 39(2): 41-46. doi: 10.3866/PKU.DXHX202306055
2. [2]
  Yujia Luo , Yunpeng Qi , Huiping Xing , Yuhu Li . The Use of Viscosity Method for Predicting the Life Expectancy of Xuan Paper-based Heritage Objects. University Chemistry, 2024, 39(8): 290-294. doi: 10.3866/PKU.DXHX202401037
3. [3]
  Gaoyan Chen , Chaoyue Wang , Juanjuan Gao , Junke Wang , Yingxiao Zong , Kin Shing Chan . Heart to Heart: Exploring Cardiac CT. University Chemistry, 2024, 39(9): 146-150. doi: 10.12461/PKU.DXHX202402011
4. [4]
  Zizheng LU , Wanyi SU , Qin SHI , Honghui PAN , Chuanqi ZHAO , Chengfeng HUANG , Jinguo PENG . Surface state behavior of W doped BiVO₄ photoanode for ciprofloxacin degradation. Chinese Journal of Inorganic Chemistry, 2024, 40(3): 591-600. doi: 10.11862/CJIC.20230225
5. [5]
  Fang Niu , Rong Li , Qiaolan Zhang . Analysis of Gas-Solid Adsorption Behavior in Resistive Gas Sensing Process. University Chemistry, 2024, 39(8): 142-148. doi: 10.3866/PKU.DXHX202311102
6. [6]
  Xiaowu Zhang , Pai Liu , Qishen Huang , Shufeng Pang , Zhiming Gao , Yunhong Zhang . Acid-Base Dissociation Equilibrium in Multiphase System: Effect of Gas. University Chemistry, 2024, 39(4): 387-394. doi: 10.3866/PKU.DXHX202310021
7. [7]
  Yanhui Zhong , Ran Wang , Zian Lin . Analysis of Halogenated Quinone Compounds in Environmental Water by Dispersive Solid-Phase Extraction with Liquid Chromatography-Triple Quadrupole Mass Spectrometry. University Chemistry, 2024, 39(11): 296-303. doi: 10.12461/PKU.DXHX202402017
8. [8]
  Jiao CHEN , Yi LI , Yi XIE , Dandan DIAO , Qiang XIAO . Vapor-phase transport of MFI nanosheets for the fabrication of ultrathin b-axis oriented zeolite membranes. Chinese Journal of Inorganic Chemistry, 2024, 40(3): 507-514. doi: 10.11862/CJIC.20230403
9. [9]
  Zhiwen HU , Weixia DONG , Qifu BAO , Ping LI . Low-temperature synthesis of tetragonal BaTiO₃ for piezocatalysis. Chinese Journal of Inorganic Chemistry, 2024, 40(5): 857-866. doi: 10.11862/CJIC.20230462
10. [10]
  Haiyang Zhang , Yanzhao Dong , Haojie Li , Ruili Guo , Zhicheng Zhang , Jiangjiexing Wu . Exploring the Integration of Chemical Engineering Principle Experiment with Cutting-Edge Research Achievements. University Chemistry, 2024, 39(10): 308-313. doi: 10.12461/PKU.DXHX202405035
11. [11]
  Tengjiao Wang , Tian Cheng , Rongjun Liu , Zeyi Wang , Yuxuan Qiao , An Wang , Peng Li . Conductive Hydrogel-based Flexible Electronic System: Innovative Experimental Design in Flexible Electronics. University Chemistry, 2024, 39(4): 286-295. doi: 10.3866/PKU.DXHX202309094
12. [12]
  Zunxiang Zeng , Yuling Hu , Yufei Hu , Hua Xiao . Analysis of Plant Essential Oils by Supercritical CO₂Extraction with Gas Chromatography-Mass Spectrometry: An Instrumental Analysis Comprehensive Experiment Teaching Reform. University Chemistry, 2024, 39(3): 274-282. doi: 10.3866/PKU.DXHX202309069
13. [13]
  Zongpei Zhang , Yanyang Li , Yanan Si , Kai Li , Shuangquan Zang . Developing a Chemistry Experiment Center Employing a Multifaceted Approach to Serve High-Quality Laboratory Education. University Chemistry, 2024, 39(7): 13-19. doi: 10.12461/PKU.DXHX202404041
14. [14]
  Di WU , Ruimeng SHI , Zhaoyang WANG , Yuehua SHI , Fan YANG , Leyong ZENG . Construction of pH/photothermal dual-responsive delivery nanosystem for combination therapy of drug-resistant bladder cancer cell. Chinese Journal of Inorganic Chemistry, 2024, 40(9): 1679-1688. doi: 10.11862/CJIC.20240135
15. [15]
  Qingqing SHEN , Xiangbowen DU , Kaicheng QIAN , Zhikang JIN , Zheng FANG , Tong WEI , Renhong LI . Self-supporting Cu/α-FeOOH/foam nickel composite catalyst for efficient hydrogen production by coupling methanol oxidation and water electrolysis. Chinese Journal of Inorganic Chemistry, 2024, 40(10): 1953-1964. doi: 10.11862/CJIC.20240028
16. [16]
  Jia Yao , Xiaogang Peng . Theory of Macroscopic Molecular Systems: Theoretical Framework of the Physical Chemistry Course in the Chemistry “101 Plan”. University Chemistry, 2024, 39(10): 27-37. doi: 10.12461/PKU.DXHX202408117
17. [17]
  Min Gu , Huiwen Xiong , Liling Liu , Jilie Kong , Xueen Fang . Rapid Quantitative Detection of Procalcitonin by Microfluidics: An Instrumental Analytical Chemistry Experiment. University Chemistry, 2024, 39(4): 87-93. doi: 10.3866/PKU.DXHX202310120
18. [18]
  Shunliu Deng , Haifeng Su , Yaxian Zhu , Yuzhi Wang , Yuhua Weng , Zhaobin Chen , Shunü Peng , Yinyun Lü , Xinyi Hong , Yiru Wang , Xiaozhen Huang , Zhimin Lin , Lansun Zheng . Course Ideological and Political Design for Self-Building Experiments of Scientific Instruments: Taking the Construction, Debugging, and Application of Teaching Mass Spectrometer as an Example. University Chemistry, 2024, 39(2): 127-132. doi: 10.3866/PKU.DXHX202308002
19. [19]
  Xiaomei Ning , Liang Zhan , Xiaosong Zhou , Jin Luo , Xunfu Zhou , Cuifen Luo . Preparation and Electro-Oxidation Performance of PtBi Supported on Carbon Cloth: A Recommended Comprehensive Chemical Experiment. University Chemistry, 2024, 39(11): 217-224. doi: 10.3866/PKU.DXHX202401085
20. [20]
  Ling Bai , Limin Lu , Xiaoqiang Wang , Dongping Wu , Yansha Gao . Exploration and Practice of Teaching Reforms in “Quantitative Analytical Chemistry” under the Perspective of New Agricultural Science. University Chemistry, 2024, 39(3): 158-166. doi: 10.3866/PKU.DXHX202308101

Get Citation

PDF

XML

Metrics

PDF Downloads(1078)
Abstract views(2506)
HTML views(75)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142