基于拉曼光谱的多组分抗生素混合溶液定量分析研究

发布时间：2018-06-24 15:23

本文选题：拉曼光谱技术 + 头孢菌素类抗生素　；参考：《天津大学》2014年硕士论文

【摘要】：抗生素是目前应用最广泛的预防和治疗感染性疾病的药物，在医疗和畜牧业上起着不可替代的作用。我国是抗生素生产和使用的大国，人均消费量高达其他国家的10倍。水体或食物中的抗生素残留通过食物链进入人体，对人类的健康构成了严重威胁，发展快速准确的抗生素残留检测方法具有重要意义。拉曼光谱技术是基于拉曼散射效应的分子结构表征技术，以其快速无损、无需样品制备、适用于水溶液样品等优点被迅速应用于检测分析领域。本文研究了拉曼光谱技术的特征及其应用于抗生素检测的优势，拉曼散射效应的原理以及利用拉曼光谱技术进行定量和定性分析的原理，光谱数据预处理方法和多元校正方法应用于拉曼光谱分析的原理。通过科研型拉曼光谱仪和多元校正方法进行了三种头孢菌素类抗生素头孢曲松、头孢噻肟钠和头孢唑林钠三元混合溶液的拉曼光谱检测和定量分析。本文分别测量了头孢曲松、头孢噻肟钠和头孢唑林钠三种抗生素的固体和溶液的拉曼光谱，扣除背景提取特征拉曼光谱，并进行了头孢类抗生素的拉曼特征峰振动模式解析。本文利用拉曼光谱技术对三种抗生素的混合溶液进行分析，基于正交实验设计方法建立了用于数据分析的校正集和预测集，研究了不同预处理方法对该混合溶液体系的偏最小二乘模型性能的影响。本文对头孢曲松、头孢噻肟钠和头孢唑林钠三种抗生素混合溶液的拉曼光谱体系进行了定量分析研究。通过各种预处理方法，包括剔除样本集中的奇异样本，提取光谱中的特征变量，，预处理校正等方面，对模型进行优化和改进，分析模型的参数和结果得出最优的预处理方法。利用最优模型可以实现对外部未知样本的预测分析。本文介绍的方法改进了现有的光谱数据预处理方法，建立了稳定的校正模型，可以实现快速、同时检测抗生素混合溶液中各组分的浓度。
[Abstract]:Antibiotics are the most widely used drugs for the prevention and treatment of infectious diseases, which play an irreplaceable role in medicine and animal husbandry. China is a large country producing and using antibiotics, per capita consumption is 10 times higher than other countries. Antibiotic residues in water or food enter the human body through the food chain, which poses a serious threat to human health. It is of great significance to develop a rapid and accurate method for the detection of antibiotic residues. Raman spectroscopy is a molecular structure characterization technique based on Raman scattering effect, which is rapidly applied in the field of detection and analysis because of its advantages of fast nondestructive, no sample preparation, and suitable for aqueous solution samples. In this paper, the characteristics of Raman spectroscopy and its advantages in antibiotic detection, the principle of Raman scattering effect and the principle of quantitative and qualitative analysis using Raman spectroscopy are studied. Spectral data preprocessing method and multivariate correction method are applied to the principle of Raman spectrum analysis. Three kinds of cephalosporins, ceftriaxone, cefotaxime sodium and cefazolin sodium ternary mixed solution were detected and quantitatively analyzed by Raman spectrometer and multivariate correction method. In this paper, the Raman spectra of ceftriaxone, cefotaxime sodium and cefazolin sodium were measured, the characteristic Raman spectra of ceftriaxone, cefotaxime sodium and cefazolin sodium were subtracted from the background characteristic Raman spectra, and the vibrational mode of characteristic Raman peaks of ceftriaxone antibiotics were analyzed. In this paper, Raman spectroscopy was used to analyze the mixed solution of three antibiotics. Based on the orthogonal experimental design method, the calibration set and prediction set for data analysis were established. The effects of different pretreatment methods on the performance of the partial least squares model of the mixed solution system were studied. The Raman spectra of ceftriaxone, cefotaxime sodium and cefazolin sodium were studied quantitatively. The model is optimized and improved by various preprocessing methods, including eliminating the singular samples in the sample set, extracting the characteristic variables in the spectrum and preprocessing correction. The optimal pretreatment method is obtained by analyzing the parameters and results of the model. The optimal model can be used to predict and analyze external unknown samples. The method introduced in this paper improves the existing spectral data pretreatment methods and establishes a stable calibration model which can be used to detect the concentration of each component in the mixed antibiotic solution.
【学位授予单位】：天津大学
【学位级别】：硕士
【学位授予年份】：2014
【分类号】：R917;O657.37

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