title: [Study on transmission rate and quantitative structure-property relationships of alkaloids and iridoid compounds on UF membranes with MWCOS of 1000].
abstract: OBJECTIVE
  Taking alkaloids and iridoid as the study, relationships of quantitative molecular structure and transmission rate on UF membrane were developed initially at exploring the mechanism of UF in Chinese herb decoction and to lay a foundation for the optimal design of membrane technology in the production of Chinese drugs preparation.
  
  
  METHODS
  The transmission rate of eight alkaloids and iridoid compounds in three UF membranes was determined, and quantitative structure-property relationships between quantitative molecular structure and transmission rate were developed by the data mining method of PLS or SVM.
  
  
  RESULTS
  Quantitative structure-property relationship models of three membranes were developed by the data mining method of PLS or SVM, correlation coefficients were all greater than 0.9. The parameters in the models included LUMO, AlogP, CMR, K&H2, K&H3.
  
  
  CONCLUSIONS
  The relationship of UF transmission rate of these eight compounds and their molecular weight are not simply linearly dependent, the main factors which affect the UF transmission rate are capacity of gain or loss electron, hydrophilicity or hydrophobic and compound spatial structure.
authors.affiliation: School of Pharmacy, Nanjing University of Chinese Medicine, Nanjing 210029, China. dongjie790212@yahoo.com.cn
authors.forename: Jie
authors.initials: J
authors.lastname: Dong
authors.forename: Liwei
authors.initials: L
authors.lastname: Guo
authors.forename: Lingjuan
authors.initials: L
authors.lastname: Li
authors.forename: Youlang
authors.initials: Y
authors.lastname: Yuan
mesh_terms: D000470:Alkaloids / Q000737:chemistry* / Q000302:isolation & purification / Q000494:pharmacology; D004365:Drugs, Chinese Herbal / Q000737:chemistry* / Q000302:isolation & purification / Q000494:pharmacology; D039823:Iridoids / Q000737:chemistry* / Q000302:isolation & purification / Q000494:pharmacology; D008970:Molecular Weight; D010539:Permeability; D004364:Pharmaceutical Preparations / Q000737:chemistry* / Q000302:isolation & purification; D021281:Quantitative Structure-Activity Relationship; D014462:Ultrafiltration / Q000379:methods*
chemical_list: D000470:Alkaloids; D004365:Drugs, Chinese Herbal; D039823:Iridoids; D004364:Pharmaceutical Preparations