本文選題：拉曼光譜技術 + 頭孢菌素類抗生素��； 參考：《天津大學》2014年碩士論文

【摘要】：抗生素是目前應用最廣泛的預防和治療感染性疾病的藥物，在醫(yī)療和畜牧業(yè)上起著不可替代的作用。我國是抗生素生產和使用的大國，人均消費量高達其他國家的10倍。水體或食物中的抗生素殘留通過食物鏈進入人體，對人類的健康構成了嚴重威脅，發(fā)展快速準確的抗生素殘留檢測方法具有重要意義。拉曼光譜技術是基于拉曼散射效應的分子結構表征技術，以其快速無損、無需樣品制備、適用于水溶液樣品等優(yōu)點被迅速應用于檢測分析領域。 本文研究了拉曼光譜技術的特征及其應用于抗生素檢測的優(yōu)勢，拉曼散射效應的原理以及利用拉曼光譜技術進行定量和定性分析的原理，光譜數據預處理方法和多元校正方法應用于拉曼光譜分析的原理。通過科研型拉曼光譜儀和多元校正方法進行了三種頭孢菌素類抗生素頭孢曲松、頭孢噻肟鈉和頭孢唑林鈉三元混合溶液的拉曼光譜檢測和定量分析。 本文分別測量了頭孢曲松、頭孢噻肟鈉和頭孢唑林鈉三種抗生素的固體和溶液的拉曼光譜，扣除背景提取特征拉曼光譜，并進行了頭孢類抗生素的拉曼特征峰振動模式解析。本文利用拉曼光譜技術對三種抗生素的混合溶液進行分析，基于正交實驗設計方法建立了用于數據分析的校正集和預測集，研究了不同預處理方法對該混合溶液體系的偏最小二乘模型性能的影響。 本文對頭孢曲松、頭孢噻肟鈉和頭孢唑林鈉三種抗生素混合溶液的拉曼光譜體系進行了定量分析研究。通過各種預處理方法，包括剔除樣本集中的奇異樣本，提取光譜中的特征變量，，預處理校正等方面，對模型進行優(yōu)化和改進，分析模型的參數和結果得出最優(yōu)的預處理方法。利用最優(yōu)模型可以實現對外部未知樣本的預測分析。 本文介紹的方法改進了現有的光譜數據預處理方法，建立了穩(wěn)定的校正模型，可以實現快速、同時檢測抗生素混合溶液中各組分的濃度。
[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.
【學位授予單位】：天津大學
【學位級別】：碩士
【學位授予年份】：2014
【分類號】：R917;O657.37

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本文編號：2061973