Exploring the Contribution of (Poly)phenols to the Dietary Exposome Using High Resolution Mass Spectrometry Untargeted Metabolomics

Li, Yuanyuan; Rushing, Blake R.; Schroder, Madison; Sumner, Susan; Kay, Colin D.

doi:10.1002/mnfr.202100922

Cited by 9 publications

(13 citation statements)

References 40 publications

(79 reference statements)

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“…Because this is an exploratory study with a modest sample size, p -values were calculated between pairwise comparisons and were not adjusted for multiple comparisons. This exploratory hypothesis-generating approach has been used by our group in several recent publications [ 30 , 33 , 34 , 35 , 36 ]. This information will set the foundation for future targeted studies with larger sample sizes to validate the untargeted results.…”

Section: Methodsmentioning

confidence: 99%

Sex-Specific Metabolic Effects of Dietary Folate Withdrawal in Wild-Type and Aldh1l1 Knockout Mice

et al. 2022

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ALDH1L1 (10-formyltetrahydrofolate dehydrogenase), an enzyme of folate metabolism, is highly expressed in the liver. It regulates the overall flux of folate-bound one-carbon groups by converting 10-formyltetrahydrofolate to tetrahydrofolate and CO2 in a NADP+-dependent reaction. Our previous study revealed that Aldh1l1 knockout (KO) mice have an altered liver metabotype with metabolic symptoms of folate deficiency when fed a standard chow diet containing 2 ppm folic acid. Here we performed untargeted metabolomic analysis of liver and plasma of KO and wild-type (WT) male and female mice fed for 16 weeks either standard or folate-deficient diet. OPLS-DA, a supervised multivariate technique that was applied to 6595 and 10,678 features for the liver and plasma datasets, respectively, indicated that genotype and diet, alone or in combination, gave distinct metabolic profiles in both types of biospecimens. A more detailed analysis of affected metabolic pathways based on most confidently identified metabolites in the liver and plasma (OL1 and OL2a ontology level) indicated that the dietary folate restriction itself does not fully recapitulate the metabolic effect of the KO. Of note, dietary folate withdrawal enhanced the metabolic perturbations linked to the ALDH1L1 loss only for a subset of metabolites. Importantly, both the ALDH1L1 loss and dietary folate deficiency produced sex-specific metabolic effects.

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Section: Methodsmentioning

confidence: 99%

Sex-Specific Metabolic Effects of Dietary Folate Withdrawal in Wild-Type and Aldh1l1 Knockout Mice

et al. 2022

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“…Chromatographic and HRMS data were acquired on a Vanquish UHPLC system coupled to a Q Exactive HF-X Hybrid Quadrupole-Orbitrap Mass Spectrometer (Thermo Fisher Scientific, San Jose, CA, USA) using conditions according to published untargeted metabolomics methods [ 11 , 12 , 13 , 14 , 15 , 16 ]. Chromatographic data were acquired using an HSS T3 C18 column (2.1 × 100 mm, 1.7 µm, Waters Corporation, Milford, MA, USA) at 50 °C with binary mobile phases of water (A) and methanol (B), each containing 0.1% formic acid ( v / v ).…”

Section: Methodsmentioning

confidence: 99%

Commonalities in Metabolic Reprogramming between Tobacco Use and Oral Cancer

Rushing

Tilley

Molina

et al. 2022

IJERPH

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Tobacco use is a major public health concern and is linked to myriad diseases, including cancer. The link between tobacco use and oral cancer, specifically, is very strong, making tobacco use one of the primary risk factors for oral cancer. While this association is well known, the underlying biochemical changes that result from tobacco use, and how this links to metabolic phenotypes of oral cancer, is not well understood. To address this knowledge gap, a combination of literature reviews and metabolomics studies were performed to identify commonalities in metabolic perturbations between tobacco use and oral cancers. Metabolomics analysis was performed on pooled reference urine from smokers and non-smokers, healthy and malignant oral tissues, and cultured oral cells with or without treatment of the well-known tobacco carcinogen 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK). Alterations in amino acid metabolism, carbohydrates/oxidative phosphorylation, fatty acid oxidation, nucleotide metabolism, steroid metabolism, and vitamin metabolism were found to be shared between tobacco use and oral cancer. These results support the conclusion that tobacco use metabolically reprograms oral cells to support malignant transformation through these pathways. These metabolic reprogramming events may be potential targets to prevent or treat oral cancers that arise from tobacco use.

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“…Similar to the construction of the endogenous library, for the construction of the dietary library, the ginger metabolites were injected into a Q-Exactive Plus Orbitrap mass spectrometer, as described in Section 2.6. Ginger metabolites such as (5S)- [6]-gingerol (6G), (5S)- [8]-gingerol (8G), (5S)- [10]-gingerol (10G), [6]-shogaol (6S), [8]-shogaol (8S), [10]shogaol (10S), (3R,5S)- [6]-gingerdiol, (3S,5S)- [6]-gingerdiol, and [6]-gingerdione were purified from the GEG extract. 14,15 On the other hand, 6S metabolites named 6S-M1, 6S-M2, 6S-M5, 6S-M6, 6S-M7, 6S-M9, 6S-M10, 6S-M11, 6S-M12, 6S-M20, and 6S-4′-glucuronide were synthesized from 6S.…”

Section: Methodsmentioning

confidence: 99%

“…Even though the number of mass spectra libraries has been increasing and has attempted to provide a more complete, robust, and reliable collection of metabolites, the current public and commercial mass spectra libraries of dietary metabolites are limited. Therefore, there is a real need to construct mass spectral libraries of dietary metabolites to facilitate the annotation of food biomarkers in untargeted metabolomics related to food intake …”

Section: Introductionmentioning

confidence: 98%

“…Therefore, there is a real need to construct mass spectral libraries of dietary metabolites to facilitate the annotation of food biomarkers in untargeted metabolomics related to food intake. 6 Ginger, the rhizome of Zingiber of ficinale Roscoe, is a spice used in the food industry that possesses several pharmacological properties. 7,8 In traditional medicine, ginger has been used to treat common diseases and symptoms, such as nausea, emesis, and diarrhea.…”

Section: Introductionmentioning

confidence: 99%

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Using Metabolomics to Identify the Exposure and Functional Biomarkers of Ginger

Esquivel‐Alvarado

Zhang

et al. 2022

J. Agric. Food Chem.

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Liquid chromatography–mass spectrometry (LC–MS)-based metabolomics has become an important tool to increase our understanding of how diet affects human health. However, public and commercial mass spectral libraries of dietary metabolites are limited, resulting in the greatest challenge in converting mass spectrometry data into biological insights. In this study, we constructed an LC–MS/MS ginger library as an example to demonstrate the importance of dietary libraries for discovering food biomarkers. The functional and exposure biomarkers of ginger were investigated using plasma samples from mice treated with control and ginger extract diets. Our results showed clear discrimination between the metabolome of mice on normal and ginger extract diets. Using the in-house ginger library, we identified 20 ginger metabolites that can be used as exposure biomarkers of ginger. However, without the LC–MS/MS ginger library, none of the ginger metabolites could be accurately identified based on online mass databases. In addition, ginger treatment significantly impacts the endogenous metabolome, especially the purine metabolism and phenylalanine, tyrosine, and tryptophan biosynthesis. Overall, we demonstrated that the construction of LC–MS/MS spectra dietary libraries would enhance the ability to identify potential dietary biomarkers and correlate potential health benefits associated with food consumption.

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Exploring the Contribution of (Poly)phenols to the Dietary Exposome Using High Resolution Mass Spectrometry Untargeted Metabolomics

Cited by 9 publications

References 40 publications

Sex-Specific Metabolic Effects of Dietary Folate Withdrawal in Wild-Type and Aldh1l1 Knockout Mice

Sex-Specific Metabolic Effects of Dietary Folate Withdrawal in Wild-Type and Aldh1l1 Knockout Mice

Commonalities in Metabolic Reprogramming between Tobacco Use and Oral Cancer

Using Metabolomics to Identify the Exposure and Functional Biomarkers of Ginger

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