【作者】 葛成相；

【导师】 倪永年；

【作者基本信息】 南昌大学 ， 分析化学， 2006， 硕士

【摘要】 本论文共分为六个部分。对近二十年来用光度法检测药物进行了综述，按照药物的不同分析方法进行了分类，并分别讨论了它们的应用情况。 第一部分 本节对不同光度方法检测药物展开了评述，包括紫外-可见分光光度法、荧光光谱法、红外光谱分析法、磷光光谱法和核磁共振波谱法，并对化学计量学方法在该领域中的应用作了讨论。包括基于多元统计分析的模式识别法（主成分分析法、多元线性回归），基于因子分析的多元校正方法（经典最小二乘法、主成分回归、偏最小二乘法和目标转换因子分析法），基于生物遗传规律的神经网络算法，以及小波变换和遗传算法等。 第二部分 本节把多元校正方法用于甲硝唑、芬布芬和酮洛芬的测定，在pH7.0的KH₂PO₄-Na₂HPO₄缓冲溶液中对甲硝唑、芬布芬和酮洛芬三组分混合溶液进行了光度分析，所得的重叠光谱数据分别用经典最小二乘法（CLS）、主成分回归法（PCR）和偏最小二乘法（PLS）处理，并用于药片的测定，获得了较满意的结果。 第三部分 本节利用3-甲基苯骈噻唑啉-2-酮腙（MBTH）在硫酸介质和Fe（III）作用下催化氧化生成失电子和质子的产物，进而与吲哒帕胺和苯磺酸氨氯地平发生偶联反应，生成两种不同的蓝色化合物，进行了动力学分析。在优化的实验条件下对400-800nm之间的动力学数据、光谱数据和动力学-光谱数据进行了化学计量学方法解析。并采用加标回收法对鼠血清中吲哒帕胺和苯磺酸氨氯地平的含量进行了测定，结果令人满意。 第四部分 本节把化学计量学方法用于紫外-可见分光光度法中，在pH2.09的Britton-Robinson的缓冲溶液中测定了头孢呋辛钠、头孢曲松钠、头孢噻肟钠和头孢唑啉钠四组分，并通过加标回收法和高效液相色谱法测定了兔血清中四种β-内酰胺类头孢菌素的含量。结果较满意。 第五部分 本节在水溶液中对促凝血药氨甲苯酸和酚磺乙胺进行了分析，利用经典最小二乘法（CLS）、主成分回归法（PCR）和偏最小二乘法（PLS）等化学计量学方法进行了解析，并用高效液相色谱法对兔血清中的药物含量测定进行了对照，方法之间无显著性差异。 第六部分 本节在pH2.09的Britton-Robinson的缓冲溶液中测定了抗结核类药物异烟肼和吡嗪酰胺，对量测数据进行了化学计量学方法处理，并用于实际样品中的测定，结果令人满意。更多还原

【Abstract】 The application of spectrometric techniques in pharmaceutical samples analysis has been developed. Chemometrics is a new discipline in chemistry that applied mathematical, statistical and other logic-based methods to analyze chemical data in particular in analytical chemistry. And the combination of spectrometry with chemometrics techniques can be used to solve some problem, which are countered in spectrum resolution.This paper is divided into six parts:Part IThis section has gathered most of the literatures that relate to spectrometry to application in the analysis of pharmaceutical multicomponent spectrometric determination. Including ultraviolet-visible spectrophotometry, fluorescence spectrophotometry, infrared absorption spectroscopy, phosphorescence spectrophotometry and nuclear magnetic resonance, et al. And the application of chemometrics in the analysis of pharmaceutical multicomponent spectrometric also be discussed. The chemometrics includes chemical experimental design and optimization (such as orthogonal design, simplex method and variance analysis), chemical pattern recognition (such as clusters, PCA, k-nearest neighbour analysis, SIMCA and ANN), multi-variance calibration (such as MLR, CLS, PCR and PLS) and spectrum analysis (such as ITTFA, EFA and FSWEFA), signal processing (such as filtering, smoothing, derivation and convolution). In the paper, for each category the experimental foundation and the situation of chemometrics’ application in this field have been discussed. Including the sensitivity, linear range and chemometrics parameter.Part IIIn this section, metronidazole, fenbufen and ketoprofen have absorption at ultraviolet zone, and theirs absorption spectra are overlapping. So they can not be determined individually spectrophotometry without prior separation. In this paper , the chemometric multivariate calibration method was applied to the simultaneous determination of these three compounds in a potassium dihydrogen phosphate-sodium hydrogen phosphate buffer solution(pH7.0), and the analytical results was compared with classical least squares(CLS), principal components regression(PCR) and partial least squares(PLS). These methods weresucessfully applied to the analysis of drugs with satisfied results.Part IIIIn this section, A kinetic-spectrophotometric method has been developed for the simultaneous quantitative determination of Indapamide and Amlodipine besylate in rat serum. It relies on the different kinetic rates of the oxidative coupling reactions. The oxidative coupling reactions between 3-methylbenzothiazolin-2-one hydrazone (MBTH) and Indapamide and Amlodipine besylate, using更多还原