化学
偏最小二乘回归
太赫兹辐射
太赫兹光谱与技术
太赫兹时域光谱学
相关系数
分析化学(期刊)
光谱学
色谱法
统计
光电子学
材料科学
数学
物理
量子力学
作者
Yongmei Wang,Qiang Wang,Zongshan Zhao,Aifeng Liu,Yong Tian,Jianyuan Qin
出处
期刊:Talanta
[Elsevier BV]
日期:2018-08-05
卷期号:190: 284-291
被引量:26
标识
DOI:10.1016/j.talanta.2018.08.008
摘要
Owing to the advantages of transient, broadband, low-energy, transmission and high frequency accuracy, terahertz frequency domain spectroscopy (THz-FDS) has been introduced and pioneered for determining chlortetracycline hydrochloride (CCH) and tetracycline hydrochloride (TCH) in environmental samples, such as chicken, rice and soils. Their THz fingerprint spectra were located in the range of 0.4-1.1 THz, with the peaks at 0.49, 0.60, 0.76, 0.90 and 1.03 THz for CCH and at 0.52, 0.67, 0.79, 0.92 and 1.05 THz for TCH, respectively. By simple pressing treatment, dry soil, chicken and rice samples spiked with standards can be used for direct analysis. For the quantitative analysis, partial least squares regression (PLSR) algorithms were utilized for optimizing the analysis accuracy, calculation and prediction. Lower root mean square error of cross validation (RMSECV < 0.1689), calibration (RMSEC < 0.0623), prediction (RMSEP < 0.1280) and higher correlation coefficient (R > 0.9089) for these two compounds in soil, chicken and rice samples have been obtained. Our results indicated that THz-FDS combined with PLSR model could be a useful analytical technique for monitoring CCH and TCH in environmental samples.
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