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目的:建立宏观状态数学模型与微观成分浓度相统一的中药材成分质量表征体系。方法:根据生物热力学定律建立中药材成分宏观状态函数关系式,并以大黄药材醇浸出物为对象,先测定燃烧焓,再建立指纹图谱,测定信息熵与信息量,再计算生物熵和表观平衡常数。结果:建立了中药成分的表观平衡常数、生物热焓、Gibbs自由能与生物熵等中药成分质量宏观状态函数模型。10批大黄的总摩尔浓度为0.153 4 mmol.g-1,RSD 28.26%;平均表观平衡常数为0.039 65,RSD6.020%;标准自由能为8 005 J.mol-1,RSD 1.860%;生物热焓为-2.408×107 J.mol-1,RSD 42.32%;生物熵为-8.078×104 J.K-1,RSD 42.31%。结论:中药宏观质量表征数学模型能表征中药多成分动态体系的内在质量,可达到远如森林近似树的综合作用结果。
OBJECTIVE: To establish a quality characterization system of Chinese herbal medicines with the integration of the mathematical model of macroscopic state and the concentration of microcosmic ingredients. Methods: According to the law of bio-thermodynamics, the macroscopical state function formula of Chinese herbal medicines was established, and the alcohol entrapment of Rheum officinale was taken as object. The enthalpy of combustion was determined first, and then the fingerprint was established. The entropy and information were measured. Then the biological entropy and apparent Equilibrium constant. Results: The macroscopic state function model of traditional Chinese medicine components such as apparent equilibrium constant, bio-enthalpy, Gibbs free energy and biological entropy were established. The total molar concentration of 10 batches of rhubarb was 0.153 4 mmol.g-1 with a RSD of 28.26%. The average apparent equilibrium constant was 0.039 65 with RSD of 6.0%. The standard free energy was 8 005 J. mol-1 with a RSD of 1.860% The bio-enthalpy was -2.408 × 107 J.mol-1, RSD 42.32%. The bio-entropy was -8.078 × 104 JK-1, RSD 42.31%. Conclusion: The mathematical model of macroscopic mass characterization can characterize the intrinsic quality of Chinese medicine multi-component dynamic system, which can reach as far as the comprehensive effect of forest approximation tree.