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Fast and Accurate Determination of Chlormequat Chloride Residue on Cherry Tomato Peel Using Surface-Enhanced Raman Spectroscopy with Chemometric Methods

机译:用化学计量方法快速准确地测定樱桃番茄剥离樱桃番茄剥离的氯化物残留物

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摘要

A sensitive method for detection of chlormequat chloride on cherry tomato peel was developed using surface-enhanced Raman spectroscopy (SERS) coupled with chemometric methods on a portable Raman spectrometer. Firstly, the spectra of ethanol solutions containing 10, 5, 2.5, 1, 0.5 or 0.25 mg/L of chlormequat chloride were collected, and characteristic signals can be detected when concentration was higher than or equal to 0.25 mg/L. Then, quantitative determination was conducted by the regression models developed using partial least-squares regression (PLSR), PLSR with competitive adaptive reweighted sampling, PLSR with random frog, and random forest with the spectra of 600-1800 cm(-1) and characteristic range, and root mean square error of cross-validation of the most remarkable model was 0.0503 mg/L. As for the spiked cherry tomato samples with 0.5 mg/L to 10 mg/L chlormequat chloride, the predicted recovery rate obtained with the optimal model was in the range of 93.2% to 99.3%, and standard deviation ranged from 0.032 mg/L to 0.878 mg/L.
机译:使用表面增强拉曼光谱(SERS)在便携式拉曼光谱仪上耦合的表面增强拉曼光谱(SERS)开发了一种敏感性方法。首先,收集含有10,5,2.5,1,0.5或0.25mg / L氯化氯化氯化氯化氯化氯酰氯的乙醇溶液的光谱,并且当浓度高于或等于0.25mg / L时,可以检测特征信号。然后,通过使用偏最小二乘回归(PLSR)的回归模型进行定量测定,PLSR具有竞争性自适应重新加权的采样,PLSR,随机青蛙,随机森林,光谱为600-1800厘米(-1)和特征范围,最重要的模型的交叉验证的均方根误差为0.0503 mg / L.至于掺入0.5mg / l至10mg / l Chlormequat氯化物的尖刺樱桃番茄样品,用最佳模型获得的预测回收率在93.2%至99.3%的范围内,标准偏差范围为0.032 mg / l至0.878 mg / L.

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