title: [Mathematic modeling and experimental validation of macrostate quality expression for multicomponent in Chinese materia medica].
abstract: OBJECTIVE
  To establish the unitive multicomponent quality system bridged macrostate mathematic model parameters of material quality and microstate component concentration for Chinese materia medica (CMM).
  
  
  METHODS
  According to law of biologic laws of thermodynamics, the state functions of macrostate qulity of the CMM were established. The validation test was carried out as modeling drug as alcohol extract of Radix Rhozome (AERR), their enthalpy of combustion was determined, and entropy and the capability of information by chromatographic fingerprint were assayed, and then the biologic apparent macrostate parameters were calculated.
  
  
  RESULTS
  The biologic macrostate mathematic models, for the CMM quality controll, were established as parameters as the apparent equilibrium constant, biologic enthalpy, Gibbs free energy and biologic entropy etc. The total molarity for the 10 batchs of AERR were 0.153 4 mmol x g(-1) with 28.26% of RSD, with the average of apparent equilibrium constants, biologic enthalpy, Gibbs free energy and biologic entropy were 0.039 65, 8 005 J x mol(-1), -2.408 x 10(7) J x mol(-1) and - 8.078 x 10(4) J x K(-1) with RSD as 6.020%, 1.860%, 42.32% and 42.31%, respectively.
  
  
  CONCLUSIONS
  The macrostate quality models for CMM can represent their intrinsic quality for multicomponent dynamic system such as the CMM, to manifest out as if the forest away from or tree near from to see it.
authors.affiliation: Department of Pharmaceutics, Hunan University of Tradition Chinese Medicine, Changsha 410208, China. pharmsharking@tom.com
authors.forename: Fuyuan
authors.initials: F
authors.lastname: He
authors.forename: Kaiwen
authors.initials: K
authors.lastname: Deng
authors.forename: Jilian
authors.initials: J
authors.lastname: Shi
authors.forename: Wenlong
authors.initials: W
authors.lastname: Liu
authors.forename: Fengjuan
authors.initials: F
authors.lastname: Pi
mesh_terms: D004365:Drugs, Chinese Herbal / Q000032:analysis*; D008419:Materia Medica / Q000032:analysis*; D008962:Models, Theoretical; D011786:Quality Control; D013816:Thermodynamics
chemical_list: D004365:Drugs, Chinese Herbal; D008419:Materia Medica