本文選題：表面增強(qiáng)拉曼光譜 + SERS基底��； 參考：《哈爾濱工業(yè)大學(xué)》2017年碩士論文

【摘要】：近些年來,藥物濫用引起的社會安全問題頻發(fā),對患者的人身安全造成極大地危害。如何有效的檢測和監(jiān)控藥物、預(yù)防藥物的非法流通、濫用,已成為我國面臨的一個(gè)重要問題。目前,大部分針對藥物濫用的檢測方法往往具有成本高、效率低、預(yù)處理過程復(fù)雜、對檢測環(huán)境有一定要求、檢測的設(shè)備體積大,不便攜等缺點(diǎn)。表面增強(qiáng)拉曼散射(SERS)技術(shù)自上世紀(jì)九十年代以來,已廣泛應(yīng)用于食品安全、藥品鑒定及材料分析等各個(gè)領(lǐng)域,作為新興的分析檢測技術(shù),SERS憑借極高的靈敏度及不受水的干擾等優(yōu)點(diǎn),在對藥物濫用的現(xiàn)場、快速、實(shí)時(shí)檢測中表現(xiàn)出極大地實(shí)際應(yīng)用價(jià)值。在本研究中,我們對SERS增強(qiáng)基底進(jìn)行了制備及表征,并對三種管制藥物SERS試驗(yàn)的檢測條件進(jìn)行了實(shí)驗(yàn)探討,以確定每種濫用藥物的最理想實(shí)驗(yàn)條件,最后通過實(shí)驗(yàn)完成對氫溴酸東莨菪堿、鹽酸異丙嗪、硫酸阿托品三種藥物的SERS檢測和半定量分析工作。對濫用藥物的監(jiān)察及現(xiàn)場快速的檢測具有很重要地意義。首先我們使用高斯(Gaussian)軟件中含有的密度泛函理論(DFT)計(jì)算方法,對氫溴酸東莨菪堿、鹽酸異丙嗪、硫酸阿托品三種藥物進(jìn)行計(jì)算,確定其在B3LYP雜化函數(shù)中的不同的基組和校正因子,并優(yōu)化分子結(jié)構(gòu),經(jīng)計(jì)算后獲取三種藥物的理論拉曼光譜。將理論結(jié)果與實(shí)驗(yàn)檢測得到的藥物固體拉曼光譜及SERS光譜三者進(jìn)行比較,再結(jié)合Gaussview軟件對每種藥物的拉曼光譜特征峰及其對應(yīng)的振動(dòng)模式進(jìn)行歸屬工作,為后續(xù)實(shí)驗(yàn)根據(jù)拉曼特征峰確定相應(yīng)分子做鋪墊。然后利用化學(xué)還原法,制備了形貌均一的銀溶膠SERS活性基底,并利用場發(fā)射掃描電子顯微鏡(SEM)和動(dòng)態(tài)光散射儀對其性能進(jìn)行表征,結(jié)果顯示銀溶膠中納米顆粒尺寸分布均勻,基底自身無拉曼信號,不會對實(shí)驗(yàn)結(jié)果產(chǎn)生干擾的�；阢y溶膠SERS活性基底,對它的批次間穩(wěn)定性進(jìn)行研究,以確保SERS檢測的可重復(fù)性。此外,對承載平臺的襯底材料進(jìn)行研究,確定一種簡單高效的疏水反光襯底,用于進(jìn)行SERS實(shí)驗(yàn)。最后基于銀溶膠SERS增強(qiáng)基底,建立一種對氫溴酸東莨菪堿、鹽酸異丙嗪、硫酸阿托品水溶液的無需預(yù)處理、所需檢測時(shí)間短的SERS檢測方法。通過實(shí)驗(yàn)研究不同促凝劑(無機(jī)鹽)對拉曼信號強(qiáng)度增強(qiáng)的影響,確定每種藥物使用的最理想促凝劑,并對三種藥品進(jìn)行SERS檢測。研究了不同濃度梯度的三種藥品水溶液的SERS光譜,分別得到檢測極限可至0.1μg/m L、0.61μg/m L、0.5μg/m L。此外,對三種藥物SERS方法的可重復(fù)性進(jìn)行了研究,經(jīng)計(jì)算回收率分別可達(dá)到98.5%~109.7%、96.5%~108.8%、98.3%~107.4%。這個(gè)方法自身具有操作簡便、檢測時(shí)間短、檢測結(jié)果準(zhǔn)確的優(yōu)勢,結(jié)果顯示SERS技術(shù)在濫用藥物監(jiān)查、檢測方面具有極大地應(yīng)用前景。
[Abstract]:In recent years, social security problems caused by drug abuse have caused great harm to patients' personal safety. How to effectively detect and monitor drugs and prevent the illegal circulation and abuse of drugs has become an important problem in China. At present, most of the detection methods for drug abuse often have the disadvantages of high cost, low efficiency, complex pretreatment process, certain requirements to the detection environment, large volume of detection equipment, not portable and so on. Surface enhanced Raman scattering (SERS) technology has been widely used in food safety, drug identification and material analysis since the 1990s. As a new analytical and detection technology, SERS has shown great practical value in the field of drug abuse, rapid and real-time detection, because of its high sensitivity and no interference from water. In this study, the SERS enhanced substrate was prepared and characterized, and the detection conditions of three kinds of controlled drugs for SERS test were discussed in order to determine the optimal experimental conditions for each drug abuse. Finally, SERS detection and semi-quantitative analysis of scopolamine hydrobromide, promethazine hydrochloride and atropine sulfate were carried out. It is of great significance to monitor drug abuse and to detect drug abuse quickly on the spot. First of all, we use the density functional theory (DFT) method contained in Gao Si Gaussian-based software to calculate three kinds of drugs: scopolamine hydrobromide, promethazine hydrochloride and atropine sulfate. The different basis groups and correction factors in the B3LYP hybrid function were determined and the molecular structure was optimized. The theoretical Raman spectra of the three drugs were obtained after calculation. The theoretical results were compared with the experimental results, and the Raman spectra and SERS spectra were compared. The characteristic peaks of Raman spectra and their corresponding vibrational modes of each drug were assigned by Gaussview software. For the subsequent experiments according to the Raman characteristic peak to determine the corresponding molecules as a cushion. Then the SERS active substrates with uniform morphology were prepared by chemical reduction method. The properties of SERS active substrates were characterized by field emission scanning electron microscopy (SEM) and dynamic light scattering (DLS). The results showed that the size distribution of silver sol nanoparticles was uniform. The substrate itself has no Raman signal and will not interfere with the experimental results. Based on the active substrate of silver sol SERS, the stability between batches was studied to ensure the repeatability of SERS detection. In addition, a simple and efficient hydrophobic reflective substrate is determined for SERS experiments. Finally, based on the silver sol SERS enhanced substrate, a new SERS detection method for scopolamine hydrobromide, promethazine hydrochloride and atropine sulfate solution was established. The effects of different coagulants (inorganic salts) on the enhancement of Raman signal intensity were studied experimentally. The optimal coagulant for each drug was determined and three drugs were detected by SERS. The SERS spectra of three kinds of drug aqueous solutions with different concentration gradients were studied. The detection limit was up to 0.1 渭 g / m L ~ (-1) 0.61 渭 g / m ~ (-1) or 0.5 渭 g / m ~ (-1) 路m ~ (-1). In addition, the repeatability of three SERS methods was studied. The recoveries of the three drugs were 98.5 and 109.70.96. 5and 108.8and 107.4respectively. This method has the advantages of simple operation, short detection time and accurate detection results. The results show that SERS technology has great application prospect in drug abuse monitoring.
【學(xué)位授予單位】：哈爾濱工業(yè)大學(xué)
【學(xué)位級別】：碩士
【學(xué)位授予年份】：2017
【分類號】：R969;O657.37

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