Machine learning applications for identify the geographical origin, variety and processing of black tea using 1H NMR chemical fingerprinting

Cui, Chuanjian; Xu, Yifan; Jin, Ge; Zong, Jianfa; Peng, Chuanyi; Cai, Hao; Hou, Ruyan

doi:10.1016/j.foodcont.2023.109686

Cited by 27 publications

(7 citation statements)

References 36 publications

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“…3. The above spectral data were consistent with those reported previously 18 and so the compound was identified as succinic acid with a molecular formula of C 4 H 6 O 4 . Succinic acid is a type of organic acid belonging to carboxylic acid.…”

Section: Structural Identification Of Target Compoundssupporting

confidence: 89%

Isolation and identification of active components from Grifola frondosa and its anti‐EV71 virus effect

Xiong,

Jiang,

et al. 2024

J Sci Food Agric

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BACKGROUNDIt is reported that anti‐enterovirus 71 (EV71) drugs have some side effects on human health. Notably, fungi plays a crucial role in promoting human health and anti‐virus. Grifola frondosa is a type of large medicinal and edible fungi, rich in active substances. The present study aimed to investigate the anti‐EV71 effect of G. frondosa and the potential active substances.RESULTSIn the present study, the water extract of G. frondosa was subjected to ethanol precipitation to obtain the water‐extracted supernatant of G. frondosa (GFWS) and water‐extracted precipitation of G. frondosa. Their inhibitory effects on EV71 virus were studied based on a cell model. The results showed that GFWS had stronger security and anti‐EV71 effects. In addition, the chemical constituents of GFWS were identified by ultra‐high performance liquid chromatography‐tandem mass spectrometry, which were selected for further separation and purification. Three compounds, N‐butylaniline, succinic acid and l‐tryptophan, were isolated from GFWS by NMR spectroscopy. It is noteworthy that N‐butylaniline and l‐tryptophan were isolated and identified from the G. frondosa fruiting bodies for the first time. Our study found that l‐tryptophan has anti‐EV71 virus activity, which reduced EV71‐induced apoptosis and significantly inhibited the replication process after virus adsorption. Furthermore, it could also bind to capsid protein VP1 to prevent the virus from attaching to the cells.CONCLUSIONl‐tryptophan was an inhibitor of the EV71 virus, which could be used in infant nutrition and possibly provide a new drug to treat hand, foot and mouth disease. © 2024 Society of Chemical Industry.

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Section: Structural Identification Of Target Compoundssupporting

confidence: 89%

Isolation and identification of active components from Grifola frondosa and its anti‐EV71 virus effect

Xiong,

Jiang,

et al. 2024

J Sci Food Agric

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“…For instance, the chemical shift (ppm) at 5.23 was identified to be glucose; 3.94 and 3.96 to be serine; 3.22, 3.38, 3.77, and 7.63 to be caffeine; 1.10, 2.13, 2.37, 3.19, and 7.97 to be theanine; as well as 4.81 to be epicatechin gallate (ECG) (Lee et al., 2015; Ohno et al., 2011). Combining with multivariate statistical analysis or machine learning algorithm, 1 H‐NMR has been widely applied in studying on traceability of tea geography origins, types, and cultivars (Cui et al., 2023; de Fátima C. Santos et al., 2023; Lee et al., 2015).…”

Section: Applications Of Metabolomics In Tea Studiesmentioning

confidence: 99%

“…10, 2.13, 2.37, 3.19, and 7.97 to be theanine; as well as 4.81 to be epicatechin gallate (ECG) (Lee et al, 2015;Ohno et al, 2011). Combining with multivariate statistical analysis or machine learning algorithm, 1 H-NMR has been widely applied in studying on traceability of tea geography origins, types, and cultivars (Cui et al, 2023;de Fátima C. Santos et al, 2023;Lee et al, 2015). Similar to NMR spectroscopy, FT-IR spectroscopy, including FT-NIR, FT-MIR, and FT-FIR, is a fast and nondestructive analytical tool that has been proved to be a powerful analytical technology applied in food, medicine, chemical industry, agriculture, and other fields.…”

Section: Analytical Technologies For Tea Metabolomicsmentioning

confidence: 99%

Comprehensive applications of metabolomics on tea science and technology: Opportunities, hurdles, and perspectives

Wen,

Zhu,

Han

et al. 2023

Comp Rev Food Sci Food Safe

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With the development of metabolomics analytical techniques, relevant studies have increased in recent decades. The procedures of metabolomics analysis mainly include sample preparation, data acquisition and pre‐processing, multivariate statistical analysis, as well as maker compounds’ identification. In the present review, we summarized the published articles of tea metabolomics regarding different analytical tools, such as mass spectrometry, nuclear magnetic resonance, ultraviolet–visible spectrometry, and Fourier transform infrared spectrometry. The metabolite variation of fresh tea leaves with different treatments, such as biotic/abiotic stress, horticultural measures, and nutritional supplies was reviewed. Furthermore, the changes of chemical composition of processed tea samples under different processing technologies were also profiled. Since the identification of critical or marker metabolites is a complicated task, we also discussed the procedure of metabolite identification to clarify the importance of omics data analysis. The present review provides a workflow diagram for tea metabolomics research and also the perspectives of related studies in the future.

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“…Currently, methods analyzing the trace of tea origins include component investigation methods such as gas chromatography–mass spectrometry ( Yun et al, 2021 ), liquid chromatography-mass spectrometry, HPLC ( Gu et al, 2022 ), element analysis methodologies such as table isotope mass spectrometry ( Jin et al, 2020 ), inductively coupled plasma mass spectrometry ( Liu, Meng, Zhao, Ye, & Tong, 2021 ), spectral methodologies such as near-infrared spectroscopy ( Zhang et al, 2023 ), nuclear magnetic resonance ( Cui et al, 2023 ), and sensory analysis techniques called electronic nose ( Fu, Liu, Chen, & Xing, 2023 ), electronic tongue ( Li, Lei, Yang, & Liu, 2014 )). HPLC was found to present characteristics of good reproducibility, high precision, and minimal reagent utilization, thus, making it broadly implemented in tea authentication processes ( Wang, Li, et al, 2022 ; Wang, Liang, et al, 2022 ; Wang, Nie, et al, 2022 ).…”

Section: Introductionmentioning

confidence: 99%

The utilization of a data fusion approach to investigate fingerprint profiles of dark tea from China's different altitudes

Wang,

Han,

Zhang

et al. 2024

Food Chemistry: X

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Machine learning applications for identify the geographical origin, variety and processing of black tea using 1H NMR chemical fingerprinting

Cited by 27 publications

References 36 publications

Isolation and identification of active components from Grifola frondosa and its anti‐EV71 virus effect

Isolation and identification of active components from Grifola frondosa and its anti‐EV71 virus effect

Comprehensive applications of metabolomics on tea science and technology: Opportunities, hurdles, and perspectives

The utilization of a data fusion approach to investigate fingerprint profiles of dark tea from China's different altitudes

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