Recommended strategies for spectral processing and post-processing of 1D 1H-NMR data of biofluids with a particular focus on urine

Metabolomics, Journal Year: 2018, Volume and Issue: 14(3)

Published: Feb. 12, 2018

1H NMR spectra from urine can yield information-rich data sets that offer important insights into many biological and biochemical phenomena. However, the quality utility of these be profoundly affected by how are processed interpreted. For instance, if incorrectly referenced or inconsistently aligned, identification compounds will incorrect. If mis-phased baseline correction is flawed, estimated concentrations systematically biased. Furthermore, because permits measurement spanning up to five orders magnitude, several problems arise with analysis. signals originating most abundant metabolites may prove least biologically relevant while arising but hardest accurately precisely measure. As a result, number processing techniques such as scaling, transformation normalization often required address issues. Therefore, proper critical step correctly extract useful information in any NMR-based metabolomic study. In this review we highlight significance, advantages disadvantages different spectral steps common studies urine. These include: chemical shift referencing, phase correction, alignment, binning, scaling normalization. We also provide set recommendations for best practices regarding biofluids, particular focus on

Language: Английский

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Quantitative NMR analysis of intra- and extracellular metabolism of mammalian cells: A tutorial

Analytica Chimica Acta, Journal Year: 2017, Volume and Issue: 980, P. 1 - 24

Published: May 24, 2017

Metabolomics analysis of body fluids as well cells is depended on many factors. While several well-accepted standard operating procedures for the are available, NMR based quantitative cellular metabolites less standardized. Experimental designs depend cell type, quenching protocol and applied post-acquisition workflow. Here, we provide a tutorial description metabolic phenotype mammalian using spectroscopy. We discuss all key steps process, starting from selection appropriate culture medium, techniques to arrest metabolism in reproducible manner, extraction intracellular components profiling medium. data acquisition methods both qualitative also provided. The suggested cover experiments adherent suspension. ultimately describe application discussed workflow thyroid cancer line. Although this focuses cells, given guidelines may be adjusted other types.

Language: Английский

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Metabolomic studies of Pseudomonas aeruginosa

World Journal of Microbiology and Biotechnology, Journal Year: 2019, Volume and Issue: 35(11)

Published: Nov. 1, 2019

Pseudomonas aeruginosa is a common, Gram-negative environmental organism. It can be significant pathogenic factor of severe infections in humans, especially cystic fibrosis patients. Due to its natural resistance antibiotics and the ability form biofilms, infection with this pathogen cause therapeutic problems. In recent years, metabolomic studies P. have been performed. Therefore, review, we discussed achievements use metabolomics methods bacterial identification, differentiation, interconnection between genome metabolome, influence external factors on metabolome identification new metabolites produced by aeruginosa. All these may provide valuable information about metabolic pathways leading an understanding adaptations strains host environment, which lead drug development and/or elaboration treatment diagnostics strategies for Pseudomonas.

Language: Английский

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Metabolomics and Lipidomics of Ischemic Stroke

Advances in clinical chemistry, Journal Year: 2018, Volume and Issue: unknown, P. 31 - 69

Published: Jan. 1, 2018

Language: Английский

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Phenolics from Medicinal and Aromatic Plants: Characterisation and Potential as Biostimulants and Bioprotectants

Molecules, Journal Year: 2021, Volume and Issue: 26(21), P. 6343 - 6343

Published: Oct. 20, 2021

Biostimulants and bioprotectants are derived from natural sources can enhance crop growth protect crops pests pathogens, respectively. They have attracted much attention in the past few decades contribute to a more sustainable eco-friendly agricultural system. Despite not having been explored extensively, plant extracts their component secondary metabolites, including phenolic compounds shown biostimulant effects on plants, enhancement of attributes yield, as well bioprotectant effects, antimicrobial, insecticidal, herbicidal nematicidal effects. Medicinal aromatic plants widely distributed all over world abundant compounds. This paper reviews characterisation medicinal brief overview extraction, phytochemical screening methods analysis. The second part review highlights potential for use biostimulants agriculture some challenges related use.

Language: Английский

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Comparison of Salt Tolerance in Soja Based on Metabolomics of Seedling Roots

Frontiers in Plant Science, Journal Year: 2017, Volume and Issue: 8

Published: June 22, 2017

Soybean is an important economic crop that continually threatened by abiotic stresses, especially salt stress. Wild soybean germplasm resource for the breeding of cultivated soybean. The root system plays a very role in plant tolerance. To explore tolerance-related mechanisms among Soja, we have demonstrated seedling roots' growth and metabolomics wild soybean, semi-wild under two types stress using gas chromatography-mass spectrometry. We characterized 47 kinds differential metabolites neutral stress, isoleucine, serine, l-allothreonine, glutamic acid, phenylalanine, asparagines, aspartic pentadecanoic lignoceric oleic galactose, tagatose, d-arabitol, dihydroxyacetone, 3-hydroxybutyric acid glucuronic increased significantly roots seedlings. However, these were suppressed soybeans. Amino fatty sugars organic synthesis secondary metabolism antioxidants seedling. Under alkaline contained higher amounts proline, alanine, arachidic cis-gondoic fumaric l-malic citric malonic gluconic 5-methoxytryptamine, salicylic fluorene than Our study carbon nitrogen metabolism, tricarboxylic cycle receiver operating characteristics (especially phenolic substances) to resisting showed regular decreasing trend from metabolomics's changes critical factors evolution tolerance Soja. This provides new insights into presents quantitative parameters tolerant system, which conducive rational use protection resources.

Language: Английский

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Identifying unknown metabolites using NMR-based metabolic profiling techniques

Nature Protocols, Journal Year: 2020, Volume and Issue: 15(8), P. 2538 - 2567

Published: July 17, 2020

Language: Английский

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Human and preclinical studies of the host–gut microbiome co-metabolite hippurate as a marker and mediator of metabolic health

Gut, Journal Year: 2021, Volume and Issue: 70(11), P. 2105 - 2114

Published: May 11, 2021

Objective Gut microbial products are involved in regulation of host metabolism. In human and experimental studies, we explored the potential role hippurate, a hepatic phase 2 conjugation product benzoate, as marker mediator metabolic health. Design 271 middle-aged non-diabetic Danish individuals, who were stratified on habitual dietary intake, applied 1 H-nuclear magnetic resonance (NMR) spectroscopy urine samples shotgun-sequencing-based metagenomics gut microbiome to explore links between level measures microbiome, fat markers mechanistic experiments with chronic subcutaneous infusion hippurate high-fat-diet-fed obese mice, tested for causality phenotypes. Results study, showed that positively associates gene richness functional modules benzoate biosynthetic pathways, one which is less prevalent Bacteroides enterotype compared Ruminococcaceae or Prevotella enterotypes. Through stratification, identify subset study participants consuming diet rich saturated concentration, independently richness, accounts high-fat-fed mice experiments, demonstrate through (20 nmol/day) resulting improved glucose tolerance enhanced insulin secretion. Conclusion Our studies show high concentration general health, context obesity induced by high-fat diets, contributes improvements, highlighting its

Language: Английский

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Recent progresses in two-dimensional correlation spectroscopy (2D-COS)

Journal of Molecular Structure, Journal Year: 2018, Volume and Issue: 1168, P. 1 - 21

Published: May 4, 2018

Language: Английский

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Near-equilibrium glycolysis supports metabolic homeostasis and energy yield

Nature Chemical Biology, Journal Year: 2019, Volume and Issue: 15(10), P. 1001 - 1008

Published: Sept. 23, 2019

Language: Английский

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