The robust NMR toolbox for metabolomics

Chandra, Kousik; Al-Harthi, Samah; Almulhim, Fatimah; Emwas, Abdul‐Hamid; Jaremko, Łukasz; Jaremko, Mariusz

doi:10.1039/d1mo00118c

Cited by 20 publications

(13 citation statements)

References 40 publications

(47 reference statements)

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“…Recently, Chandra et al addressed the issues of sensitivity and specificity in in vitro NMR spectroscopy by suggesting new methodological developments [27,28]. Significantly improved sensitivity was reported by combining two previously developed techniques, i.e., (a) controlled detuning of the probe such that the "spin noise tuning optimum" (SNTO) was obtained, and (b) using an externally cylindrical NMR tube made of susceptibility-matched glass, containing a slot-like (non-cylindrical) sample space, instead of a conventional 5 mm NMR tube.…”

Section: In Vitro Vs In Vivo Nmr Spectroscopic Analysismentioning

confidence: 99%

“…The authors also developed a tailored sequence to optimally identify metabolites whose signals are usually hidden under broad lipid and protein signals. This sequence consists of a suite of selective and non-selective CPMG-filtered 1D and 2D TOCSY/HSQC experiments [28]. 13 C Labels Metabolized by Perfused Isolated Organs and Perfused Cultured Cells Nath et al [29] have presented 13 C glucose labeling studies using 2D NMR of perfusate for investigating ex vivo whole-organ (kidney) metabolism.…”

Section: In Vitro Vs In Vivo Nmr Spectroscopic Analysismentioning

confidence: 99%

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Methodological Developments for Metabolic NMR Spectroscopy from Cultured Cells to Tissue Extracts: Achievements, Progress and Pitfalls

Lutz

Bernard

2022

Molecules

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This is a broad overview and critical review of a particular group of closely related ex vivo and in vitro metabolic NMR spectroscopic methods. The scope of interest comprises studies of cultured cells and excised tissue, either intact or after physicochemical extraction of metabolites. Our detailed discussion includes pitfalls that have led to erroneous statements in the published literature, some of which may cause serious problems in metabolic and biological interpretation of results. To cover a wide range of work from relevant research areas, we consider not only the most recent achievements in the field, but also techniques that proved to be valid and successful in the past, although they may not have generated a very significant number of papers more recently. Thus, this comparative review also aims at providing background information useful for judiciously choosing between the metabolic ex vivo/in vitro NMR methods presented. Finally, the methods of interest are discussed in the context of, and in relation to, other metabolic analysis protocols such as HR-MAS and cell perfusion NMR, as well as the mass spectrometry approach.

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Section: In Vitro Vs In Vivo Nmr Spectroscopic Analysismentioning

confidence: 99%

Section: In Vitro Vs In Vivo Nmr Spectroscopic Analysismentioning

confidence: 99%

Methodological Developments for Metabolic NMR Spectroscopy from Cultured Cells to Tissue Extracts: Achievements, Progress and Pitfalls

Lutz

Bernard

2022

Molecules

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“…Metabolomics employs different analytical platforms including high-performance liquid chromatography (HPLC) [22][23][24][25][26][27], Fourier transformed infrared (FT-IR) spectroscopy [28][29][30][31], mass spectrometry (MS) [32][33][34][35] and nuclear magnetic resonance (NMR) spectroscopy [36][37][38][39][40][41][42].…”

Section: Metabolomics Analytical Toolsmentioning

confidence: 99%

“…A wide range of NMR experiments are available and commonly used in metabolomics applications [42,[56][57][58][59][60][61][62][63] and later on we will focus on NMR results. For instance, onedimensional (1D) experiments are used for detection and quantification of compounds containing atoms such as 1 H, 13 C, 15 N, 31 P [37,64].…”

Section: Metabolomics Analytical Toolsmentioning

confidence: 99%

“…For instance, onedimensional (1D) experiments are used for detection and quantification of compounds containing atoms such as 1 H, 13 C, 15 N, 31 P [37,64]. More sophisticated experiments such as two-dimensional (2D) correlation spectroscopy (COSY), total correlation spectroscopy (TOCSY), and heteronuclear single quantum correlation spectroscopy (HSQC) are usually used to remove the overlapping effects of peaks on NMR spectra, and to allow the detection and identification of more metabolites than with 1D NMR [37,42,[65][66][67][68][69].…”

Section: Metabolomics Analytical Toolsmentioning

confidence: 99%

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You Are What You Eat: Application of Metabolomics Approaches to Advance Nutrition Research

Emwas

Al-Rifai

Szczepski

et al. 2021

Foods

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A healthy condition is defined by complex human metabolic pathways that only function properly when fully satisfied by nutritional inputs. Poor nutritional intakes are associated with a number of metabolic diseases, such as diabetes, obesity, atherosclerosis, hypertension, and osteoporosis. In recent years, nutrition science has undergone an extraordinary transformation driven by the development of innovative software and analytical platforms. However, the complexity and variety of the chemical components present in different food types, and the diversity of interactions in the biochemical networks and biological systems, makes nutrition research a complicated field. Metabolomics science is an “-omic”, joining proteomics, transcriptomics, and genomics in affording a global understanding of biological systems. In this review, we present the main metabolomics approaches, and highlight the applications and the potential for metabolomics approaches in advancing nutritional food research.

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Identifying Anti‐NSCLC Bioactive Compounds in Scutellaria via 2D NMR‐Based Metabolomic Analysis of Pharmacologically Classified Crude Extracts

Chen,

Li,

et al. 2024

Chemistry & Biodiversity

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We presented a strategy utilizing 2D NMR‐based metabolomic analysis of crude extracts, categorized by different pharmacological activities, to rapidly identify the primary bioactive components of TCM. It was applied to identify the potential bioactive components from Scutellaria crude extracts that exhibit anti‐non‐small cell lung cancer (anti‐NSCLC) activity. Four Scutellaria species were chosen as the study subjects because of their close phylogenetic relationship, but their crude extracts exhibit significantly different anti‐NSCLC activity. Cell proliferation assay was used to assess the anti‐NSCLC activity of four species of Scutellaria. 1H‐13C HSQC spectra were acquired for the chemical profiling of these crude extracts. Based on the pharmacological classification (PCA, OPLS‐DA and univariate hypothesis test) were performed to identify the bioactive constituents in Scutellaria associated with the anti‐NSCLC activity. As a result, three compounds, baicalein, wogonin and scutellarin were identified as bioactive compounds. The anti‐NSCLC activity of the three potential active compounds were further confirmed via cell proliferation assay. The mechanism of the anti‐NSCLC activity by these active constituents was further explored via flow cytometry and western blot analyses. This study demonstrated 2D NMR‐based metabolomic analysis of pharmacologically classified crude extracts to be an efficient approach to the identification of active components of herbal medicine.

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The robust NMR toolbox for metabolomics

Abstract: Here, we implemented and validated a suite of selective and non-selective CPMG-filtered 1D and 2D TOCSY/HSQC experiments for metabolomics research. They facilitated the unambiguous identification of metabolites embedded in broad...

Cited by 20 publications

References 40 publications

Methodological Developments for Metabolic NMR Spectroscopy from Cultured Cells to Tissue Extracts: Achievements, Progress and Pitfalls

Methodological Developments for Metabolic NMR Spectroscopy from Cultured Cells to Tissue Extracts: Achievements, Progress and Pitfalls

You Are What You Eat: Application of Metabolomics Approaches to Advance Nutrition Research

Identifying Anti‐NSCLC Bioactive Compounds in Scutellaria via 2D NMR‐Based Metabolomic Analysis of Pharmacologically Classified Crude Extracts

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