NMR and Metabolomics—A Roadmap for the Future

Wishart, David S.; Cheng, Leo L.; Copié, Valérie; Edison, Arthur S.; Eghbalnia, Hamid R.; Hoch, Jeffrey C.; Gouveia, Goncalo J.; Pathmasiri, Wimal; Powers, Robert; Schock, Tracey B.; Sumner, Lloyd W.; Uchimiya, Mario

doi:10.3390/metabo12080678

Cited by 67 publications

(45 citation statements)

References 137 publications

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“…While this systematic review aims to provide an update on current methods commonly employed in the NMR metabolomics workflow and point out the extent of their variation between studies, we still expect to see variation in the future as improvements are made to existing methods or new methodologies are developed. The necessity for standardisation is often debated as there are continued advancements made in the NMR metabolomics field such as sample collection devices [ 235 , 236 ], data processing software [ 237 ], NMR experiments and pulse sequences [ 238 ], improved instrument sensitivity [ 239 , 240 ], and metabolite deconvolution software [ 241 , 242 , 243 ]. Therefore, when using new methods, we encourage careful considerations in their implementation and detailed reporting.…”

Section: Discussionmentioning

confidence: 99%

Systematic Review of NMR-Based Metabolomics Practices in Human Disease Research

et al. 2022

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Nuclear magnetic resonance (NMR) spectroscopy is one of the principal analytical techniques for metabolomics. It has the advantages of minimal sample preparation and high reproducibility, making it an ideal technique for generating large amounts of metabolomics data for biobanks and large-scale studies. Metabolomics is a popular “omics” technology and has established itself as a comprehensive exploratory biomarker tool; however, it has yet to reach its collaborative potential in data collation due to the lack of standardisation of the metabolomics workflow seen across small-scale studies. This systematic review compiles the different NMR metabolomics methods used for serum, plasma, and urine studies, from sample collection to data analysis, that were most popularly employed over a two-year period in 2019 and 2020. It also outlines how these methods influence the raw data and the downstream interpretations, and the importance of reporting for reproducibility and result validation. This review can act as a valuable summary of NMR metabolomic workflows that are actively used in human biofluid research and will help guide the workflow choice for future research.

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Section: Discussionmentioning

confidence: 99%

Systematic Review of NMR-Based Metabolomics Practices in Human Disease Research

et al. 2022

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“…The long and successful history of powerful NMR methodologies for analyzing and identifying molecular structures in solution is also related to the continued growth of its applications to metabolites [ 69 ]. While 1 H NMR of common phosphorylated metabolites is straightforward, several challenges need to be overcome, such as spectra complexity and the need for standard reference databases, which have been indicated as larger chemical shift variations depending on the pH observed [ 70 ].…”

Section: Analysis Of Biologically Active Phosphometabolitesmentioning

confidence: 99%

Advances in the Synthesis and Analysis of Biologically Active Phosphometabolites

Wohlgemuth

2023

IJMS

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Phosphorus-containing metabolites cover a large molecular diversity and represent an important domain of small molecules which are highly relevant for life and represent essential interfaces between biology and chemistry, between the biological and abiotic world. The large but not unlimited amount of phosphate minerals on our planet is a key resource for living organisms on our planet, while the accumulation of phosphorus-containing waste is associated with negative effects on ecosystems. Therefore, resource-efficient and circular processes receive increasing attention from different perspectives, from local and regional levels to national and global levels. The molecular and sustainability aspects of a global phosphorus cycle have become of much interest for addressing the phosphorus biochemical flow as a high-risk planetary boundary. Knowledge of balancing the natural phosphorus cycle and the further elucidation of metabolic pathways involving phosphorus is crucial. This requires not only the development of effective new methods for practical discovery, identification, and high-information content analysis, but also for practical synthesis of phosphorus-containing metabolites, for example as standards, as substrates or products of enzymatic reactions, or for discovering novel biological functions. The purpose of this article is to review the advances which have been achieved in the synthesis and analysis of phosphorus-containing metabolites which are biologically active.

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“…At now, 1H NMR still plays an important role in metabolomics because of its high ability in detecting the metabolites and elucidate structures in vivo . Its disadvantage is the narrow detection window and lack of sensitivity ( 59 , 60 ).…”

Section: Metabolomics Sample Preparation and Platform Technologiesmentioning

confidence: 99%

Application of metabolomics in osteoporosis research

Zhao

Cai²,

Chen³

et al. 2022

Front. Endocrinol.

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Osteoporosis (OP) is a systemic disease characterized by bone metabolism imbalance and bone microstructure destruction, which causes serious social and economic burden. At present, the diagnosis and treatment of OP mainly rely on imaging combined with drugs. However, the existing pathogenic mechanisms, diagnosis and treatment strategies for OP are not clear and effective enough, and the disease progression that cannot reflect OP further restricts its effective treatment. The application of metabolomics has facilitated the study of OP, further exploring the mechanism and behavior of bone cells, prevention, and treatment of the disease from various metabolic perspectives, finally realizing the possibility of a holistic approach. In this review, we focus on the application of metabolomics in OP research, especially the newer systematic application of metabolomics and treatment with herbal medicine and their extracts. In addition, the prospects of clinical transformation in related fields are also discussed. The aim of this study is to highlight the use of metabolomics in OP research, especially in exploring the pathogenesis of OP and the therapeutic mechanisms of natural herbal medicine, for the benefit of interdisciplinary researchers including clinicians, biologists, and materials engineers.

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NMR and Metabolomics—A Roadmap for the Future

Cited by 67 publications

References 137 publications

Systematic Review of NMR-Based Metabolomics Practices in Human Disease Research

Systematic Review of NMR-Based Metabolomics Practices in Human Disease Research

Advances in the Synthesis and Analysis of Biologically Active Phosphometabolites

Application of metabolomics in osteoporosis research

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