Study of 2,4-D Spectral Characteristics and Its Detection in Zizania Latifolia Using Terahertz Time-Domain Spectroscopy

Nie, Ping; Cai, Chengyong; Qu, Fangfang; Lin, Lei; Dong, Tao; He, Yong

doi:10.3390/app9112248

Cited by 11 publications

(6 citation statements)

References 36 publications

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“…The theoretical origin of terpineol peak position was explained by DFT combined with terpineol molecular structure, and the experimental data of terpineol was further explained. Because of its high precision and low computational complexity, the DFT plays a significant role in the analysis of molecular structure [ 28 ]. Using Gauss -09 package (revised version D.01, American Gauss Company) together with B3LYP hybridization function and 6-31G basis set, we calculated the absorption peak position of terpineol at THz frequency [ 29 ].…”

Section: Methodsmentioning

confidence: 99%

Moxa Wool in Different Purities and Different Growing Years Measured by Terahertz Spectroscopy

et al. 2022

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Moxa wool is a traditional Chinese herbal medicine, which can warm channels to dispel coldness. At present, there is no unified index to evaluate the purity and growing years of moxa wool in the market. Terpineol is one of the effective substances in the volatile oil of moxa wool. Here, we characterize the purity and growing years of moxa wool by studying terpineol. Gas chromatography-mass spectrometry (GC-MS) and high-performance liquid chromatography (HPLC) are the methods for monitoring terpineol at present, all of which have defects of complicated procedures. We established linear fitting to distinguish the different purities of moxa wool through the intensities (areas) of terpineol, the characteristic peaks, and the consequence presented; the coefficient of determination (R2) was higher than 0.90. Furthermore, based on the characteristic peak position of standard terpineol, the correlation model with the purity and growing year of moxa wool was set up, thereby differentiating the quality of moxa wool. We have built the partial least squares (PLS) model of the growing years of moxa wool with high accuracy, and the determination coefficient is greater than 0.98. In addition, we compare the quantitative accuracy of Raman spectroscopy with terahertz technology. Finally, a new method of terahertz spectroscopy to evaluate quality of moxa wool was found. It provides a new idea for the identification of inferior moxa wool in the market and a new method for identifying the quality of moxa wool in traditional Chinese medicine.

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Section: Methodsmentioning

confidence: 99%

Moxa Wool in Different Purities and Different Growing Years Measured by Terahertz Spectroscopy

et al. 2022

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“…THz imaging systems and ultrasound imaging are emerging examples of such approach. THz imaging refers to a band of electromagnetic waves ranging from 0.1 to 10 THz (3,000–30 μm), between the microwave and infrared regions, where the vibration and rotation frequencies of the most polar and many organic molecules occur (Martinelli et al, 2015 ; Qu et al, 2018b ; Nie et al, 2019 ). In the last years sources and detectors for THz region have been developed leading to the definition of specific THz spectroscopy (such as THz time-domain spectroscopy, THz-TDS) and imaging techniques (Qu et al, 2018b ; Wang et al, 2018c ).…”

Section: Positron Emission Tomography: An Emerging Non-disruptive mentioning

confidence: 99%

“…Nowadays, these techniques are principally used to detect the leaf water content (Nie et al, 2017 ; Song et al, 2018 ; Zahid et al, 2019 ; Li et al, 2020 ). Other applications include agrochemicals detection in plant tissues and/or plant derived foods (Lee et al, 2016 ; Qin et al, 2018 ; Nie et al, 2019 ), seed inspection and soil analysis (Wang et al, 2018b ) as well as the determination of spatial distribution feature of the leaf constituent contents (Wang et al, 2019c ). Ultrasound imaging—which implies mechanical waves at frequencies above 20 kHz, has also been applied to plant imaging (Chen et al, 2013 ).…”

Section: Positron Emission Tomography: An Emerging Non-disruptive mentioning

confidence: 99%

Past and Future of Plant Stress Detection: An Overview From Remote Sensing to Positron Emission Tomography

Galieni¹,

D’Ascenzo

Stagnari

et al. 2021

Front. Plant Sci.

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Plant stress detection is considered one of the most critical areas for the improvement of crop yield in the compelling worldwide scenario, dictated by both the climate change and the geopolitical consequences of the Covid-19 epidemics. A complicated interconnection of biotic and abiotic stressors affect plant growth, including water, salt, temperature, light exposure, nutrients availability, agrochemicals, air and soil pollutants, pests and diseases. In facing this extended panorama, the technology choice is manifold. On the one hand, quantitative methods, such as metabolomics, provide very sensitive indicators of most of the stressors, with the drawback of a disruptive approach, which prevents follow up and dynamical studies. On the other hand qualitative methods, such as fluorescence, thermography and VIS/NIR reflectance, provide a non-disruptive view of the action of the stressors in plants, even across large fields, with the drawback of a poor accuracy. When looking at the spatial scale, the effect of stress may imply modifications from DNA level (nanometers) up to cell (micrometers), full plant (millimeters to meters), and entire field (kilometers). While quantitative techniques are sensitive to the smallest scales, only qualitative approaches can be used for the larger ones. Emerging technologies from nuclear and medical physics, such as computed tomography, magnetic resonance imaging and positron emission tomography, are expected to bridge the gap of quantitative non-disruptive morphologic and functional measurements at larger scale. In this review we analyze the landscape of the different technologies nowadays available, showing the benefits of each approach in plant stress detection, with a particular focus on the gaps, which will be filled in the nearby future by the emerging nuclear physics approaches to agriculture.

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“…DFT is a quantum mechanics method for studying the electronic structure of multielectronic systems by taking into account the correlative effects of electron energy and spin. It is suitable for the analysis of most molecular structures with high accuracy and low computational complexity [21]. B3LYP hybrid density function and 6-31G (d) basis set are used for DFT calculations, where (d) denotes the addition of polarization functions made by non-H atoms [21].…”

Section: Density Functional Eorymentioning

confidence: 99%

“…It is suitable for the analysis of most molecular structures with high accuracy and low computational complexity [21]. B3LYP hybrid density function and 6-31G (d) basis set are used for DFT calculations, where (d) denotes the addition of polarization functions made by non-H atoms [21]. e effectiveness of the combination of the B3LYP/6-31G (d) for interpreting the THz spectrum has been demonstrated previously [22].…”

Section: Density Functional Eorymentioning

confidence: 99%

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

Chen

Jia

Qin

et al. 2020

Journal of Spectroscopy

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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.

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Study of 2,4-D Spectral Characteristics and Its Detection in Zizania Latifolia Using Terahertz Time-Domain Spectroscopy

Cited by 11 publications

References 36 publications

Moxa Wool in Different Purities and Different Growing Years Measured by Terahertz Spectroscopy

Moxa Wool in Different Purities and Different Growing Years Measured by Terahertz Spectroscopy

Past and Future of Plant Stress Detection: An Overview From Remote Sensing to Positron Emission Tomography

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

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