Recent Advances in NMR-Based Metabolomics

Gowda, G. A. Nagana; Raftery, Daniel

doi:10.1021/acs.analchem.6b04420

Cited by 136 publications

(76 citation statements)

References 172 publications

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“…Prior to this time, taxonomic restriction of specialized metabolism biased deep analysis towards pathways found in model organisms: for instance, glucosinolates in Arabidopsis, cyclic hydroxamic acids in maize and other well-studied grasses and isoflavonoids in Medicago and soybean. Dramatic improvements in sensitivity and selectivity of MS- and NMR-based analytical chemistry helped broaden the scope of well-studied metabolic networks ( 51, 52 ). In parallel, development of species-agnostic DNA sequencing and functional genomics screening tools (notably, viral induced gene silencing and genetic transformation), permitted rigorous correlation of in vitro activities and in vivo phenotypes.…”

Section: Discussionmentioning

confidence: 99%

Evolution of metabolic novelty: a trichome-expressed invertase creates specialized metabolic diversity in wild tomato

Leong

Lybrand

Lou

et al. 2018

Preprint

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24Plants produce myriad taxonomically restricted specialized metabolites. This diversity -and our 25 ability to correlate genotype with phenotype -makes the evolution of these ecologically and 26 medicinally important compounds interesting and experimentally tractable. Trichomes of tomato 27 and other nightshade family plants produce structurally diverse protective compounds termed 28 acylsugars. While cultivated tomato (Solanum lycopersicum) accumulates strictly acylsucroses, 29 the South American wild relative Solanum pennellii produces copious amounts of acylglucoses. 30 Genetic, transgenic and biochemical dissection of the S. pennellii acylglucose biosynthetic 31 pathway identified a trichome gland cell expressed invertase-like enzyme that hydrolyzes 32 acylsucroses (Sopen03g040490). This enzyme acts on the pyranose ring-acylated acylsucroses 33 Science Advances Manuscript TemplatePage 2 of 50 found in the wild tomato but not the furanose ring-decorated acylsucroses of cultivated tomato. 34 These results show that modification of the core acylsucrose biosynthetic pathway leading to loss 35 of furanose ring acylation set the stage for co-option of a general metabolic enzyme to produce a 36 new class of protective compounds. 37 38 48 This leads to new and modified pathways that produce structurally and functionally diverse 49 specialized metabolites. 50 Glandular trichome-synthesized acylated sugars ('acylsugars') are structurally diverse 51 specialized metabolites found throughout the Solanaceae (7-13). These compounds have 52 documented roles in direct and indirect protection against herbivores and microbes (14, 15), as 53 well as allelopathic properties (15, 16). Their low toxicity to vertebrates generates interest in 54 generating plant breeding strategies for deploying acylsugars in crop protection (17, 18). These 55 metabolites consist of a sugar core -typically sucrose -with aliphatic chains of variable length, 56 structure and number attached by ester linkages. Acylsugars were reported from genera across the 57 Solanaceae family, including Datura, Nicotiana, Petunia, Physalis, Salpiglossis, and Solanum 58 Science Advances Manuscript Template Page 3 of 50with single species producing at least three dozen chromatographically distinct acylsugars (10, 13, 59 16, 19-22). 60 In recent years, several evolutionarily-related enzymes were implicated in the core 61 acylsucrose biosynthetic pathways in species across the family, including the cultivated tomato 62 Solanum lycopersicum, Petunia axillaris and Salpiglossis sinuata (7,(9)(10)(11)(12) 23). These 63 biosynthetic pathways consist of trichome-expressed BAHD-family acylsugar acyltransferases 64 (ASATs) (7, 9, 23), which sequentially transfer acyl groups from acyl-coenzyme A (acyl-CoA) 65 substrates to specific hydroxyl groups of sucrose (7, 9, 23). 66 The cultivated tomato biosynthetic network is well characterized, with four ASATs -67 SlASAT1 through SlASAT4 -catalyzing consecutive reactions to produce tri-and tetra-acylate...

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Section: Discussionmentioning

confidence: 99%

Evolution of metabolic novelty: a trichome-expressed invertase creates specialized metabolic diversity in wild tomato

Leong

Lybrand

Lou

et al. 2018

Preprint

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“…In the past 15 years, two analytical platforms have predominantly emerged for performing metabolomics studies i.e., mass spectrometry (MS) and nuclear magnetic resonance (NMR). However, analytical techniques have their own advantages and disadvantages, and no single analytical platform has the ability to capture the entire metabolome [17][18][19][20][21]. Notably, the use of combined analytical techniques complement each other and broaden the level of metabolites coverage and sample types in the metabolomics experiments [19,[22][23][24][25].…”

Section: Introductionmentioning

confidence: 99%

Emerging Insights into the Metabolic Alterations in Aging Using Metabolomics

Srivastava

2019

Metabolites

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Metabolomics is the latest 'omics' technology and systems biology science that allows for comprehensive profiling of small-molecule metabolites in biological systems at a specific time and condition. Metabolites are cellular intermediate products of metabolic reactions, which reflect the ultimate response to genomic, transcriptomic, proteomic, or environmental changes in a biological system. Aging is a complex biological process that is characterized by a gradual and progressive decline in molecular, cellular, tissue, organ, and organismal functions, and it is influenced by a combination of genetic, environmental, diet, and lifestyle factors. The precise biological mechanisms of aging remain unknown. Metabolomics has emerged as a powerful tool to characterize the organism phenotypes, identify altered metabolites, pathways, novel biomarkers in aging and disease, and offers wide clinical applications. Here, I will provide a comprehensive overview of our current knowledge on metabolomics led studies in aging with particular emphasis on studies leading to biomarker discovery. Based on the data obtained from model organisms and humans, it is evident that metabolites associated with amino acids, lipids, carbohydrate, and redox metabolism may serve as biomarkers of aging and/or longevity. Current challenges and key questions that should be addressed in the future to advance our understanding of the biological mechanisms of aging are discussed.

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“…measurement of small metabolites in biospecimens or biofluids in biomedical research, systems biology and biomarker discovery, is rapidly increasing. 19–23 The metabolic state reflects a number of genetic and environmental factors including diet, and metabolites may serve as biomarkers of dietary exposure. Metabolites may also be associated with signaling pathways related to the development of cancer, and therefore can serve as predictors of disease.…”

Section: Introductionmentioning

confidence: 99%

Plasma metabolite abundances are associated with urinary enterolactone excretion in healthy participants on controlled diets

et al. 2017

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Enterolignans, products of gut bacterial metabolism of plant lignans, have been associated with reduced risk of chronic diseases, but their association with other plasma metabolites is unknown. We examined plasma metabolite profiles according to urinary enterolignan excretion in a cross-sectional analysis using data from a randomized crossover, controlled feeding study. Eighty healthy adult males and females completed two 28-day feeding periods differing by glycemic load, refined carbohydrate, and fiber content. Lignan intake was calculated from food records using a polyphenol database. Targeted metabolomics was performed by LC-MS on plasma from fasting blood samples collected at the end of each feeding period. Enterolactone (ENL) and enterodiol (END), were measured in 24-h urine samples collected on the penultimate day of each study period using GC-MS. Linear mixed models were used to test the association between enterolignan excretion and metabolite abundances. Pathway analyses were conducted using the Global Test. Benjamini-Hochberg false discovery rate (FDR) was used to control for multiple testing. Of the metabolites assayed, 121 were detected in all samples. ENL excretion was associated positively with plasma hippuric acid and melatonin, and inversely with epinephrine, creatine, glycochenodeoxycholate, and glyceraldehyde (P <0.05). Hippuric acid only satisfied the FDR of q < 0.1. END excretion was associated with myristic acid and glycine (q <0.5). Two of 57 pathways tested were associated significantly with ENL, ubiquinone and terpenoid-quinone biosynthesis, and inositol phosphate metabolism. These results suggest a potential role for ENL or ENL-metabolizing gut bacteria in regulating plasma metabolites.

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Recent Advances in NMR-Based Metabolomics

Cited by 136 publications

References 172 publications

Evolution of metabolic novelty: a trichome-expressed invertase creates specialized metabolic diversity in wild tomato

Evolution of metabolic novelty: a trichome-expressed invertase creates specialized metabolic diversity in wild tomato

Emerging Insights into the Metabolic Alterations in Aging Using Metabolomics

Plasma metabolite abundances are associated with urinary enterolactone excretion in healthy participants on controlled diets

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