Terahertz fingerprint characterization of 2,4-dichlorophenoxyacetic acid and its enhanced detection in food matrices combined with spectral baseline correction

Qu, Fangfang; Lin, Lei; Cai, Chengyong; Chu, Bingquan; Wang, Yue; He, Yong; Nie, Ping

doi:10.1016/j.foodchem.2020.127474

Cited by 21 publications

(12 citation statements)

References 26 publications

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“…This indicated that the baseline correction could improve the accuracy of qualitative discrimination for THz-TDS spectroscopy. These correction methods also improved the accuracy of quantitative analysis of 2, 4-dichlorophenoxyacetic acid in the previous report ( 12 ).…”

Section: Resultsmentioning

confidence: 65%

“…An asymmetrical penalty function is used to demonstrate the positivity of the spectral peak. The baseline estimation and de-noising using sparsity (BEADS) method for minimized asymmetrical penalized function is defined as follows ( 12 ).…”

Section: Methodsmentioning

confidence: 99%

“…On the verge of medium change, the THz-TDS spectra can easily be subject to scattering that further leads to baseline drift. Therefore, the application of baseline correction algorithms can improve the detection accuracy of THz-TDS technology ( 12 , 13 ). In addition, the time delay of the THz-TDS signal, affected by the change of medium, has remarkable time-resolved characteristics.…”

Section: Introductionmentioning

confidence: 99%

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Non-destructive Detection of Insect Foreign Bodies in Finishing Tea Product Based on Terahertz Spectrum and Image

Sun

Shen

2021

Front. Nutr.

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Non-destructive testing of low-density and organic foreign bodies is the main challenge for food safety control. Terahertz time-domain spectroscopy (THz-TDS) and imaging technologies were applied to explore the feasibility of detection for insect foreign bodies in the finishing tea products. THz-TDS of tea leaves and foreign bodies of insects demonstrated significant differences in terms of time domain and frequency signals in the range of 0.3–1.0 THz. These signals were corrected by the use of adaptive iteratively reweighted penalized least squares (AirPLS), asymmetric least squares (AsLS), and baseline estimation and de-noising using sparsity (BEADS) for reducing baseline drift and enhancing effective spectral information. The K-nearest neighbor (KNN) and partial least squares discrimination analysis (PLS-DA) models showed the best performance after AirPLS correction with the prediction accuracy of 98 and 100%, respectively. In addition, the locations and outlines of insect bodies could be clearly presented via the THz-TDS image. These results suggested that THz-TDS spectroscopy and imaging provide an alternative tool for the detection of insect foreign bodies in finishing tea products.

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Section: Resultsmentioning

confidence: 65%

Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Non-destructive Detection of Insect Foreign Bodies in Finishing Tea Product Based on Terahertz Spectrum and Image

Sun

Shen

2021

Front. Nutr.

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“…The THz-TDS experimental apparatus (CCT-1800, China Communication Technology Co., Ltd., Shenzhen, China) with its stable transmission-scanning mode, which has been described in detail in our previous works [ 28 ], was used to obtain spectra (with spectral resolution of 30 GHz over the range of 0.5–3.5 THz) of the drug pellets. Spectral measurements were performed at ambient temperature of 294 K with dry nitrogen purged into the apparatus to eliminate interference by moisture.…”

Section: Methodsmentioning

confidence: 99%

High-Precision Automatic Identification of Fentanyl-Related Drugs by Terahertz Spectroscopy with Molecular Dynamics Simulation and Spectral Similarity Mapping

Liu

Nie

et al. 2022

IJMS

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Fentanyl is a potent opioid analgesic with high bioavailability. It is the leading cause of drug addiction and overdose death. To better control the abuse of fentanyl and its derivatives, it is crucial to develop rapid and sensitive detection methods. However, fentanyl-related substrates undergo similar molecular structures resulting in similar properties, which are difficult to be identified by conventional spectroscopic methods. In this work, a method for the automatic identification of 8 fentanyl-related substances with similar spectral characteristics was developed using terahertz (THz) spectroscopy coupled with density functional theory (DFT) and spectral similarity mapping (SSM). To characterize the THz fingerprints of these fentanyl-related samples more accurately, the method of baseline estimation and denoising with sparsity was performed before revealing the unique molecular dynamics of each substance by DFT. The SSM method was proposed to identify these fentanyl analogs based on weighted spectral cosine–cross similarity and fingerprint discrete Fréchet distance, generating a matching list by stepwise searching the entire spectral database. The top matched list returned the identification results of the target fentanyl analogs with accuracies of 94.48~99.33%. Results from this work provide algorithms’ increased reliability, which serves as an artificial intelligence-based tool for high-precision fentanyl analysis in real-world samples.

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“…However, these methods are destructive, harmful solvents are required and they are timeconsuming. [6][7][8] Therefore, a rapid and effective analytical method is urgently needed for the determination of pesticide residues.…”

Section: Introductionmentioning

confidence: 99%

Pesticide detection combining the Wasserstein generative adversarial network and the residual neural network based on terahertz spectroscopy

Yang

Qin

et al. 2022

RSC Adv.

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Terahertz fingerprint characterization of 2,4-dichlorophenoxyacetic acid and its enhanced detection in food matrices combined with spectral baseline correction

Cited by 21 publications

References 26 publications

Non-destructive Detection of Insect Foreign Bodies in Finishing Tea Product Based on Terahertz Spectrum and Image

Non-destructive Detection of Insect Foreign Bodies in Finishing Tea Product Based on Terahertz Spectrum and Image

High-Precision Automatic Identification of Fentanyl-Related Drugs by Terahertz Spectroscopy with Molecular Dynamics Simulation and Spectral Similarity Mapping

Pesticide detection combining the Wasserstein generative adversarial network and the residual neural network based on terahertz spectroscopy

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