High-confidence structural annotation of substances via multi-layer molecular network reveals the system-wide constituent alternations in milk interfered with diphenylolpropane

Fan, Zibian; Jia, Wei

doi:10.1016/j.jhazmat.2024.134334

Cited by 4 publications

(2 citation statements)

References 62 publications

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“…The results showed good linearity, with correlation coefficients ( R 2 ) above 0.9989 ( P adj value <0.05) in the linear regression equation for all target metabolites. LOD and LOQ refer to the lowest spiked concentration of target substance that can be quantitatively detected with an acceptable level of accuracy, determined by replicate analyses ( n = 6) to produce three S / N and ten S / N signal-to-noise ratios . Results varied from 1.03 to 69.51 μg kg –1 (LOD) and 3.43–231.47 μg kg –1 (LOQ) metabolites (analytical sensitivity). normalRSD = S X × 100 % , goodbreak0em1em⁣ S = ∑ i = 1 n ( x i − X ̅ ) 2 n = 1 …”

Section: Results and Discussionmentioning

confidence: 99%

“…LOD and LOQ refer to the lowest spiked concentration of target substance that can be quantitatively detected with an acceptable level of accuracy, determined by replicate analyses (n = 6) to produce three S/N and ten S/N signal-to-noise ratios. 31 Results varied from 1.03 to 69.51 μg kg −1 (LOD) and 3.43−231.47 μg kg −1 (LOQ) metabolites (analytical sensitivity).…”

Section: Combining Word2vec and Hnsw Coupled With Uhplc And Tandem Ma...mentioning

confidence: 99%

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Selenium-Mediated (−)-Epigallocatechin-3-Gallate Dynamics via Flavanone-3-Hydroxylase Regulation of Flavonoid Biosynthesis in Fu Tea (Camellia sinensis (L.) O. Kuntze)

Guo,

Jia,

Wang

2024

J. Agric. Food Chem.

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Tea (Camellia sinensis (L.) O. Kuntze) is a highly selenium enrichment capacity plant; high selenium concentration contributes to the occurrence of oxidative stress and protein misfolding in tea plants, whereas flavonoids can chelate heavy metals to protect plants from oxidative stress caused by metal exposure. Nevertheless, the role of catechins in flavonoid synthesis and nutrient metabolism under selenium stress remains unidentified. Combining Word2vec and HNSW utilizing UHPLC-Q-Orbitrap HRMS− MS/MS to implement rapid matching annotation of the structural information on metabolites in Fu tea, we found that seleniummediated changes in catechins in Fu tea were mainly associated with flavonoid biosynthesis pathways. The results demonstrated that selenium treatment increased benign selenol analogues (glutathioselenol) in tea and identified the novel selenopeptide PRSeMW (m/z 636.22571, Pro-Arg-SeMet-Trp) in selenium-enriched Fu tea samples to enhance the health benefits of tea. The selenium levels were negatively correlated with N 5 -ethyl-L-glutamine (11.63 to 4.26 mg kg −1 ) and (−)-epigallocatechin (13.26 to 11.19 mg kg −1 ), increasing the accumulation of tea polyphenols ((−)-catechin gallate, (−)-epigallocatechin 3-gallate, and (+)-gallocatechin), and decreasing the level of caffeine. These discoveries provide new insights into the mechanism of tea polyphenol-mediated transformation of selenium in Fu tea and theoretical support for the quality assessment of selenium-enriched tea.

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