NMR Spectroscopy for Metabolomics Research

Metabolites, Год журнала: 2019, Номер 9(7), С. 123 - 123

Опубликована: Июнь 27, 2019

Over the past two decades, nuclear magnetic resonance (NMR) has emerged as one of three principal analytical techniques used in metabolomics (the other being gas chromatography coupled to mass spectrometry (GC-MS) and liquid with single-stage (LC-MS)). The relative ease sample preparation, ability quantify metabolite levels, high level experimental reproducibility, inherently nondestructive nature NMR spectroscopy have made it preferred platform for long-term or large-scale clinical metabolomic studies. These advantages, however, are often outweighed by fact that most techniques, including both LC-MS GC-MS, more sensitive than NMR, lower limits detection typically 10 100 times better. This review is intended introduce readers field NMR-based highlight advantages disadvantages It will also explore some unique strengths metabolomics, particularly regard isotope selection/detection, mixture deconvolution via 2D spectroscopy, automation, noninvasively analyze native tissue specimens. Finally, this a number emerging technologies strengthen its utility overcome inherent limitations applications.

Язык: Английский

---

High‐Throughput Metabolomics by 1D NMR

Angewandte Chemie International Edition, Год журнала: 2018, Номер 58(4), С. 968 - 994

Опубликована: Июль 12, 2018

Metabolomics deals with the whole ensemble of metabolites (the metabolome). As one -omic sciences, it relates to biology, physiology, pathology and medicine; but are chemical entities, small organic molecules or inorganic ions. Therefore, their proper identification quantitation in complex biological matrices requires a solid ground. With respect for example, DNA, much more prone oxidation enzymatic degradation: we can reconstruct large parts mammoth's genome from specimen, unable do same its metabolome, which was probably largely degraded few hours after animal's death. Thus, need standard operating procedures, good skills sample preparation storage subsequent analysis, accurate analytical broad knowledge chemometrics advanced statistical tools, at least two metabolomic techniques, MS NMR. All these traditionally cultivated by chemists. Here focus on metabolomics standpoint restrict ourselves From point view, NMR has pros cons does provide peculiar holistic perspective that may speak future adoption as population-wide health screening technique.

Язык: Английский

---

NMR as a “Gold Standard” Method in Drug Design and Discovery

Molecules, Год журнала: 2020, Номер 25(20), С. 4597 - 4597

Опубликована: Окт. 9, 2020

Studying disease models at the molecular level is vital for drug development in order to improve treatment and prevent a wide range of human pathologies. Microbial infections are still major challenge because pathogens rapidly continually evolve developing resistance. Cancer cells also change genetically, current therapeutic techniques may be (or become) ineffective many cases. The pathology neurological diseases remains an enigma, exact etiology underlying mechanisms largely unknown. Viral spread develop much more quickly than does corresponding research needed combat these infections; present most relevant outbreak SARS-CoV-2, which originated Wuhan, China, illustrates critical immediate need design techniques. Modern day discovery time-consuming, expensive process. Each new takes excess 10 years costs on average billion US dollars. This demonstrates complete redesign or novel strategies. Nuclear Magnetic Resonance (NMR) has played role ever since its introduction several decades ago. In just three decades, NMR become “gold standard” platform technology medical pharmacology studies. this review, we applications spectroscopy development. basic concepts, theories, commonly used presented. We summarize advantages limitations primary methods

Язык: Английский

---

Metabolomics and Lipidomics: Expanding the Molecular Landscape of Exercise Biology

Metabolites, Год журнала: 2021, Номер 11(3), С. 151 - 151

Опубликована: Март 7, 2021

Dynamic changes in circulating and tissue metabolites lipids occur response to exercise-induced cellular whole-body energy demands maintain metabolic homeostasis. The metabolome lipidome a given biological system provides molecular snapshot of these rapid complex perturbations. application metabolomics lipidomics map the responses an acute bout aerobic/endurance or resistance exercise has dramatically expanded over past decade thanks major analytical advancements, with most exercise-related studies date focused on analyzing human biofluids tissues. Experimental considerations, as well complementary using animal model systems, are warranted help overcome challenges associated large interindividual variability decipher breadth mechanisms underlying health-promoting effects exercise. In this review, we provide guide for researchers regarding techniques experimental workflows commonly used lipidomics. Furthermore, discuss advancements mammalian research utilizing metabolomic lipidomic approaches last decade, highlight key technical considerations remaining knowledge gaps continue expanding landscape biology.

Язык: Английский

---

NMR spectroscopy in wine authentication: An official control perspective

Comprehensive Reviews in Food Science and Food Safety, Год журнала: 2021, Номер 20(2), С. 2040 - 2062

Опубликована: Янв. 27, 2021

Abstract Wine authentication is vital in identifying malpractice and fraud, various physical chemical analytical techniques have been employed for this purpose. Besides wet chemistry, these include chromatography, isotopic ratio mass spectrometry, optical spectroscopy, nuclear magnetic resonance (NMR) which applied recent years combination with chemometric approaches. For many years, 2 H NMR spectroscopy was the method of choice achieved official recognition detection sugar addition to grape products. Recently, 1 a simpler faster (in terms sample preparation), has gathered more attention wine analysis, even if it still lacks recognition. This technique makes targeted quantitative determination ingredients nontargeted metabolomic fingerprint possible. review summarizes possibilities limitations authentication, by reviewing its applications as reported literature. Examples commercial open‐source solutions combining chemometrics are also examined herein, together opportunities becoming an method.

Язык: Английский

---

Pharmacometabonomics: data processing and statistical analysis

Briefings in Bioinformatics, Год журнала: 2021, Номер 22(5)

Опубликована: Апрель 16, 2021

Individual variations in drug efficacy, side effects and adverse reactions are still challenging that cannot be ignored research development. The aim of pharmacometabonomics is to better understand the pharmacokinetic properties drugs monitor on specific metabolic pathways. Here, we systematically reviewed recent technological advances for understanding pathophysiological mechanisms diseases as well bodies. First, advantages disadvantages all mainstream analytical techniques were compared. Second, many data processing strategies including filtering, missing value imputation, quality control-based correction, transformation, normalization together with methods implemented each step discussed. Third, various feature selection extraction algorithms commonly applied described. Finally, databases facilitate current collected All all, this review provided guidance researchers engaged metabolomics, it would promote wide application metabolomics personalized medicine.

Язык: Английский

---

Fluxomics - New Metabolomics Approaches to Monitor Metabolic Pathways

Frontiers in Pharmacology, Год журнала: 2022, Номер 13

Опубликована: Март 21, 2022

Fluxomics is an innovative -omics research field that measures the rates of all intracellular fluxes in central metabolism biological systems. gathers data from multiple different fields, portraying whole picture molecular interactions. Recently, fluxomics has become one most relevant approaches to investigate metabolic phenotypes. Metabolic flux using

Язык: Английский

---

The detection of adulteration of olive oil with various vegetable oils – A case study using high-resolution 700 MHz NMR spectroscopy coupled with multivariate data analysis

Food Control, Год журнала: 2024, Номер 166, С. 110679 - 110679

Опубликована: Июнь 25, 2024

Язык: Английский

---

Recent Advances in the Application of Metabolomics for Nutrition and Health

Annual Review of Food Science and Technology, Год журнала: 2019, Номер 10(1), С. 479 - 519

Опубликована: Март 25, 2019

Metabolomics is the study of small molecules called metabolites in biological samples. Application metabolomics to nutrition research has expanded recent years, with emerging literature supporting multiple applications. Key examples include applications identification and development objective biomarkers dietary intake, developing personalized strategies, large-scale epidemiology studies understand link between diet health. In this review, we provide an overview current identify key challenges that need be addressed for further field. Successful potential improve assessment, help deliver nutrition, enhance our understanding

Язык: Английский

---

NMR-based metabolomics with enhanced sensitivity

RSC Advances, Год журнала: 2021, Номер 11(15), С. 8694 - 8700

Опубликована: Янв. 1, 2021

NMR-based metabolomics, which emerged along with mass spectrometry techniques, is the preferred method for studying metabolites in medical research and food industries. However, NMR techniques suffer from inherently low sensitivity, regardless of their superior reproducibility. To overcome this, we made two beneficial modifications: detuned probe to reach a position called "Spin Noise Tuning Optimum" (SNTO), replaced conventional cylindrical 5 mm tube an electric field component-optimized shaped tube. We found that concerted use both modifications can increase sensitivity (signal noise ratio per unit volume) detection decrease measurement time by order magnitude. In this study, demonstrate discuss achieved signal enhancement on model non-human (bovine serum, amino acid standard mixture) human urine samples.

Язык: Английский

---