A Feasible Approach to Detect Pesticides in Food Samples Using THz-FDS and Chemometrics

Author:

Chen Qian1,Jia Shengyao1,Qin Jianyuan1ORCID,Du Yong1,Zhao Zongshan2

Affiliation:

1. Center for Terahertz Research, China Jiliang University, Hangzhou 310018, China

2. College of Environmental Science and Engineering, Qingdao University, Qingdao 266071, China

Abstract

The use of pesticides will have an impact on food, organisms, and environment. Specifically, pesticide residues in food will damage human health. Because of its high permeability, low energy, high spectral resolution, and fingerprint characteristics, terahertz frequency-domain spectroscopy has been introduced into the determination of pesticides (imidacloprid, acetamiprid, and triadimefon) residues in food samples (glutinous rice flour, wheat flour, and corn flour) in our present study. These three pesticides exhibit their own absorption peaks in the region of 0.4–1.7 THz. For understanding the origins of these peaks, the experimental data are interpreted by using density functional theory calculations at the level of B3LYP/6-31G (d). It is found that these absorption peaks come from the intramolecular and intermolecular interactions. The absorption peaks of pesticides are still detectable in a mixture of pesticides and food samples when they reach a certain concentration. The results from chemometrics analysis show that quantitative detection of pesticides in food samples is feasible. The partial least squares regression models have high correlation coefficient (>0.99), low root-mean-square error of calibration (<1.5%), low root-mean-square error of cross-validation (<2.4%), and low root-mean-square error of prediction (<2.3%), indicating good quality of prediction for pesticides concentration. Our results prove that the terahertz frequency-domain spectrum combined with chemometrics can be used for the detection of pesticides in food samples.

Funder

National Natural Science Foundation of China

Publisher

Hindawi Limited

Subject

Spectroscopy,Atomic and Molecular Physics, and Optics,Analytical Chemistry

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