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基于太赫兹时域光谱技术的诺氟沙星浓度检测研究 被引量:4

Study on Norfloxacin Concentration Detection Based on Terahertz Time Domain Spectroscopy
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摘要 畜禽养殖中抗生素的不合理使用导致畜禽产品中抗生素残留问题时有发生,进而通过食物链影响食品安全,威胁人类健康。准确、快速检测出抗生素药物的含量对保障食品安全具有重要意义。以残留较为常见的喹诺酮类诺氟沙星抗菌药为研究对象,开展基于太赫兹光谱技术的诺氟沙星较大梯度和较小梯度的全浓度含量检测研究。在较大梯度诺氟沙星样本中,首先,在1%~100%范围内设置了11个浓度,完成较大梯度压片样本制备;然后经太赫兹时域光谱系统扫描获取其时域光谱,提取样本的吸收系数,用卷积平滑S-G二项式拟合滤波去除噪声、平滑样本光谱数据。发现纯净的诺氟沙星在1.205 THz处存在一个强烈吸收峰,在0.816 THz处存在一个弱吸收峰。最后,利用逐步回归和连续投影法(SPA)选择变量并结合特征吸收峰进行多元线性回归建模预测分析。进一步在较小梯度诺氟沙星样本研究中,首先在浓度100μg·mL-1(0.01%)以下设置了29个浓度系列,完成较小梯度溶液样本制备;然后获得其太赫兹时域光谱,用S-G二项式拟合滤波进行数据预处理,发现各浓度的吸收光谱未出现明显差异,最后利用逐步回归和连续投影法(SPA)选择变量结合特征吸收峰实现多元线性回归建模预测分析。结果表明:在较大梯度诺氟沙星样本中逐步回归选择变量的多元线性回归达到了模型最优(R_(p)=0.962,RMSEP=2.74%),准确率优于当前已有最优预测模型(R_(p)=0.867,RMSEP=16.6%);小梯度诺氟沙星样本的逐步回归选择变量的多元线性回归模型最优(R_(p)=0.728,RMSEP=18.79μg·mL^(-1)),该方法有一定的预测能力,但是准确率有待提升。利用太赫兹光谱技术实现了较全浓度诺氟沙星的检测,为后续诺氟沙星检测限的探索等进一步研究提供了一定的研究基础。 The unreasonable use of antibiotics in poultry breeding has led to the frequent occurrence of antibiotic residues in poultry products,affecting food safety and posing a threat to human health.Therefore,accurate and rapid detection of antibiotic drug content is of great significance.This study successfully carried out larger and smaller gradient whole content detection of norfloxacin This study successfully carried out larger out based on terahertz spectroscopy.First,in the samples of higher-gradient norfloxacin,11 concentrations were set in the range of 1%~100%to complete the preparation of high-gradient samples.Then the time spectrum was scanned by the terahertz time spectrum system,the absorption coefficient of the sample was extracted,and the Savitzk-Golay(S-G)binomial fitting filter was used to remove the noise and smooth the spectral data of the sample.It was found that the absorption coefficient of pure norfloxacin had a strong absorption peak at 1.205 THz and a weak absorption peak at 0.816 THz.Finally,stepwise regression and successive projections algorithm(SPA)is used to select variables and combine the characteristic absorption peak to realize the prediction analysis of multiple linear regression modeling.Further,in the study of smaller gradient norfloxacin samples,we set 29 concentration series below 100μg·mL^(-1)(0.01%)to complete the preparation of smaller gradient samples.Then the terahertz time domain spectrum was obtained,the S-G binomial fitting filter was used for data preprocessing,and no significant difference was found in the absorption spectrum of each concentration.Finally,stepwise regression and SPA were used to select variables and combine the characteristic absorption peak to realize multiple linear regression modeling and prediction analysis.The results showed that the multiple linear regression of stepwise regression selection variable in the higher-gradient norfloxacin sample reached the optimal model(R_(p)=0.962,RMSEP=2.74%),and the accuracy was better than the existing optimal pre
作者 白军朋 李斌 张淑娟 陈怡每 BAI Jun-peng;LI Bin;ZHANG Shu-juan;CHEN Yi-mei(Beijing Research Center for Information Technology in Agriculture,Beijing 100097,China;College of Engineering,Shanxi Agricultural University,Taigu 030801,China)
出处 《光谱学与光谱分析》 SCIE EI CAS CSCD 北大核心 2021年第9期2710-2716,共7页 Spectroscopy and Spectral Analysis
基金 北京市农林科学院创新能力建设专项(KJCX20180421) 北京市自然科学基金项目(6182012) 国家自然科学基金项目(61601034)资助。
关键词 太赫兹时域光谱技术 诺氟沙星 浓度检测 喹诺酮 吸收系数 抗生素残留 Terahertz time domain spectroscopy Norfloxacin Concentration detection Quinolone Absorption coefficient Antibiotic residue
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