4.6 Review

Benchtop NMR-Based Metabolomics: First Steps for Biomedical Application

Related references

Note: Only part of the references are listed.
Review Chemistry, Analytical

NMR Metabolomics Methods for Investigating Disease

G. A. Nagana Gowda et al.

ANALYTICAL CHEMISTRY (2023)

Review Medical Laboratory Technology

Metabolomics of asthma, COPD, and asthma-COPD overlap: an overview

Sanjukta Dasgupta et al.

Summary: Asthma and chronic obstructive pulmonary disease (COPD) are common lung diseases that have a significant impact on morbidity and mortality worldwide. Asthma-COPD overlap (ACO) is a complex pulmonary disease that shares features of both asthma and COPD. This review examines the metabolic alterations in patients with asthma, COPD, and ACO, and discusses the use of metabolomics techniques for biomarker discovery and understanding the pathogenesis of these diseases. The review also highlights the challenges in metabolite identification and quality assessment, and envisions bridging the gap between phenotype and metabotype in the future.

CRITICAL REVIEWS IN CLINICAL LABORATORY SCIENCES (2023)

Article Chemistry, Multidisciplinary

Computational simulation of 1H NMR profiles of complex biofluid analyte mixtures at differential operating frequencies: Applications to low-field benchtop spectra

Mark Edgar et al.

Summary: This study explored the application of accessible software options for predicting accurate and reliable NMR chemical shift values, coupling patterns, and constants in H-1 NMR profiles of analytes. The study also demonstrated the successful prediction of these profiles in different operating frequency ranges, including the low-field spectra of five biomolecules. The findings are significant in the context of biomarker tracking in biofluids and metabolomics investigations.

MAGNETIC RESONANCE IN CHEMISTRY (2022)

Review Chemistry, Physical

Ultrafast 2D NMR for the analysis of complex mixtures

Celia Lhoste et al.

Summary: 2D NMR is widely used in various fields and has shown great potential for the study of complex biochemical or chemical mixtures. Ultrafast 2D NMR is a versatile approach that allows for the resolution of overlapped peaks in 1D spectra and provides both structural and quantitative information. It has undergone significant methodological developments and has become an efficient analytical tool with numerous applications in mixture analysis.

PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY (2022)

Article Infectious Diseases

Benchtop nuclear magnetic resonance-based metabolomic approach for the diagnosis of bovine tuberculosis

Jesus Ruiz-Cabello et al.

Summary: Plasma metabolic TB profile was identified using high-field nuclear magnetic resonance (NMR) spectroscopy, and this characteristic profile was successfully measured using low-field benchtop (LF) NMR as an affordable molecular technology for TB diagnosis. The study showed that metabolic fingerprinting using HF and LF-NMR could differentiate TB subjects from uninfected animals, and PTB and PTB-vaccinated subjects who may show false positive results for TB.

TRANSBOUNDARY AND EMERGING DISEASES (2022)

Article Chemistry, Multidisciplinary

Accurate measurements of self-diffusion coefficients with benchtop NMR using a QM model-based approach

Ellen Steimers et al.

Summary: In this study, a recently developed quantum mechanical model-based approach was used to estimate self-diffusion coefficients from complex benchtop NMR data. With this method, the self-diffusion coefficients of all species in complex mixtures were estimated with a discrepancy of less than 2% compared to high-field NMR data sets of the same mixtures.

MAGNETIC RESONANCE IN CHEMISTRY (2022)

Review Biochemistry & Molecular Biology

Metabolome Features of COPD: A Scoping Review

Suneeta Godbole et al.

Summary: COPD is a complex lung disease with systemic manifestations that disrupt the metabolome in extrapulmonary compartments. A scoping review of COPD metabolomics literature revealed dysregulation in various metabolic pathways, influenced by age and sex. There is a lack of research on the association between the metabolome and COPD progression, warranting further investigation.

METABOLITES (2022)

Review Biochemistry & Molecular Biology

Urine NMR Metabolomics for Precision Oncology in Colorectal Cancer

Jesus Brezmes et al.

Summary: Metabolomics is a crucial method for discovering novel biomarkers and their application in precision medicine. NMR-based metabolomics in urine can serve as a powerful clinical tool in precision oncology. This review provides a comprehensive evaluation of NMR metabolomics for the detection of colorectal cancer (CRC) in urine, identifying potential relevant compounds and metabolic pathways.

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2022)

Editorial Material Chemistry, Multidisciplinary

Applications of machine learning and artificial intelligence in NMR

Stefan Kuhn

MAGNETIC RESONANCE IN CHEMISTRY (2022)

Article Chemistry, Inorganic & Nuclear

Low-Field Flow 31P NMR Spectroscopy for Organometallic Chemistry: On-Line Analysis of Highly Air-Sensitive Rhodium Diphosphine Complexes

Laura Tadiello et al.

Summary: Low-field flow NMR spectroscopy is a promising technique for on-line reaction monitoring, but its application is limited in the field of organometallic chemistry. This paper presents the practical aspects of a customized low-field flow NMR setup, and demonstrates its utility for reactions involving oxygen-sensitive rhodium complexes.

ORGANOMETALLICS (2022)

Review Urology & Nephrology

Potential of nuclear magnetic resonance metabolomics in the study of prostate cancer

R. Ravikanth Reddy et al.

Summary: Nuclear magnetic resonance (NMR) metabolomics is a powerful analytical technique for evaluating biochemicals/metabolites associated with cancer and other diseases. It can aid in the diagnosis and understanding of dysregulated metabolic pathways in prostate cancer by detecting metabolites in biofluids and tissues.

INDIAN JOURNAL OF UROLOGY (2022)

Review Biochemical Research Methods

Low-field benchtop NMR spectroscopy: status and prospects in natural product analysis†

Teris Andre van Beek

Summary: Low-field nuclear magnetic resonance (NMR) spectrometers have re-entered the market in recent years, offering commercial availability for natural products analysis. Despite limited spectral resolution, their low costs and ease of operation make them attractive for various applications in quality control, forensics, and food research. The niche market of LF-NMR is rapidly developing, with new instruments constantly being introduced.

PHYTOCHEMICAL ANALYSIS (2021)

Article Biology

Identification of Metabolic Phenotypes in Young Adults with Obesity by 1H NMR Metabolomics of Blood Serum

Khin Thandar Htun et al.

Summary: This study aimed to identify the serum metabolic profile associated with young adult obesity, using proton nuclear magnetic resonance spectroscopy. Results showed that the obese group had higher levels of lipids, glucose, glutamate, N-acetyl glycoprotein, alanine, lactate, 3 hydroxybutyrate, and branch chain amino acid (BCAA), and lower levels of choline compared to the normal-weight group. Specific biomarkers like glutamine, lactate, BCAAs, acetoacetate, and 3-hydroxybutyrate were proposed to distinguish between normal weight and obese adults.

LIFE-BASEL (2021)

Review Chemistry, Inorganic & Nuclear

Recent Applications of Benchtop Nuclear Magnetic Resonance Spectroscopy

Hyo-Yeon Yu et al.

Summary: Benchtop nuclear magnetic resonance (NMR) spectroscopy utilizes small permanent magnets to generate magnetic fields, offering operational simplicity and cost efficiency as an alternative to high-field NMR spectroscopy. It has found diverse applications in fields such as food science, pharmaceuticals, and reaction monitoring.

MAGNETOCHEMISTRY (2021)

Article Endocrinology & Metabolism

Low-field benchtop NMR spectroscopy as a potential non-stationary tool for point-of-care urinary metabolite tracking in diabetic conditions

Mark Edgar et al.

Summary: The low-field, near-portable benchtop NMR spectrometers offer advantages for the multicomponent metabolomics analysis of urinary biomarkers in type 2 diabetes patients, and may be valuable for sequential monitoring of diabetic and prediabetic individuals at 'point-of-care' clinical sites.

DIABETES RESEARCH AND CLINICAL PRACTICE (2021)

Review Biochemistry & Molecular Biology

Precision Oncology via NMR-Based Metabolomics: A Review on Breast Cancer

Alessia Vignoli et al.

Summary: Precision oncology focuses on selecting the optimal therapy for individual patients with breast cancer, who need appropriate stratification for maximizing survival and quality of life. Gene-expression tools assist in estimating risk and benefit from chemotherapy, while NMR metabolomics has shown promising results in BC research.

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2021)

Article Biochemical Research Methods

Optimal control pulses for subspectral editing in low field NMR

A. Bahti et al.

Summary: The feasibility of using optimal control pulses for subspectral editing in low field NMR was demonstrated, showing promising results for the analysis of complex mixtures and opening access for benchtop NMR to point of care settings.

JOURNAL OF MAGNETIC RESONANCE (2021)

Article Biology

Preliminary demonstration of benchtop NMR metabolic profiling of feline urine: chronic kidney disease as a case study

Natalie Finch et al.

Summary: The benchtop NMR technology successfully distinguished the metabolic profiles between chronic kidney disease cases and healthy control cats, identifying 15 different metabolites. The study offers perspectives on the future development of combining this technology with sample databases and computational intelligence techniques for clinical decision support tools.

BMC RESEARCH NOTES (2021)

Review Chemistry, Multidisciplinary

Benchtop nuclear magnetic resonance spectroscopy in forensic chemistry

Sarah L. Draper et al.

Summary: Benchtop NMR spectrometers operating at low field frequencies have become popular among forensic chemists due to their ease of use, cost-effectiveness, and capability to identify and quantify compounds. These modern devices offer multiple nuclei operation, 2D NMR experiments, and advanced techniques, leading to significant progress in forensic chemistry research in the past 5 years.

MAGNETIC RESONANCE IN CHEMISTRY (2021)

Article Cell Biology

NMR-based metabolomics associated with chronic kidney disease in humans and animals: a one health perspective

Elena Hunter et al.

Summary: Chronic kidney disease (CKD) is difficult to detect in the early stages due to the lack of clear symptoms, requiring research on new biomarkers and metabolites to aid in early detection and treatment.

MOLECULAR AND CELLULAR BIOCHEMISTRY (2021)

Article Multidisciplinary Sciences

Urine NMR-based TB metabolic fingerprinting for the diagnosis of TB in children

Patricia Comella-del-Barrio et al.

Summary: In this study, differences in metabolic response in children with different diagnostic certainty of TB were identified using urine nuclear magnetic resonance-based metabolomics. This could help improve the accuracy of TB diagnosis and prediction in pediatric populations.

SCIENTIFIC REPORTS (2021)

Article Chemistry, Analytical

Lithium-7 qNMR as a method to quantify lithium content in brines using benchtop NMR

Juan F. Araneda et al.

Summary: A novel Li-7 quantitative NMR method was developed to analyze lithium content in brine samples, providing accurate results with no matrix effects or sample preparation needed. The method shows potential applicability in the mining industry.

ANALYST (2021)

Article Chemistry, Multidisciplinary

A comparison of non-uniform sampling and model-based analysis of NMR spectra for reaction monitoring

Ellen Steimers et al.

Summary: This study introduces two NMR methods, 2D non-uniform sampling and model-based fitting approach, to overcome challenges of low resolution and overlapping peaks in NMR spectra. By applying these methods to analyze complex reaction mixtures, comparable results to high-field data can be obtained.

MAGNETIC RESONANCE IN CHEMISTRY (2021)

Article Chemistry, Multidisciplinary

Accelerated Nuclear Magnetic Resonance Spectroscopy with Deep Learning

Xiaobo Qu et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)

Article Biochemistry & Molecular Biology

Benchtop Low-Frequency 60 MHz NMR Analysis of Urine: A Comparative Metabolomics Investigation

Justine Leenders et al.

METABOLITES (2020)

Article Biochemical Research Methods

Gradient-based pulse sequences for benchtop NMR spectroscopy

Boris Gouilleux et al.

JOURNAL OF MAGNETIC RESONANCE (2020)

Article Multidisciplinary Sciences

Discovery and validation of an NMR-based metabolomic profile in urine as TB biomarker

Jose Luis Izquierdo-Garcia et al.

SCIENTIFIC REPORTS (2020)

Review Biochemistry & Molecular Biology

Deep metabolome: Applications of deep learning in metabolomics

Yotsawat Pomyen et al.

COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL (2020)

Article Chemistry, Physical

Highly Resolved Pure-Shift Spectra on a Compact NMR Spectrometer

Thomas Castaing-Cordier et al.

CHEMPHYSCHEM (2019)

Article Chemistry, Multidisciplinary

Synthesis of α-fluoro-α,β-unsaturated esters monitored by 1D and 2D benchtop NMR spectroscopy

Dennis Weidener et al.

MAGNETIC RESONANCE IN CHEMISTRY (2019)

Review Immunology

The application of metabolomics toward pulmonary tuberculosis research

Ilse du Preez et al.

TUBERCULOSIS (2019)

Article Biochemical Research Methods

ASICS: an R package for a whole analysis workflow of 1D 1H NMR spectra

Gaelle Lefort et al.

BIOINFORMATICS (2019)

Article Chemistry, Multidisciplinary

Hyperpolarised 1H-13C Benchtop NMR Spectroscopy

Alastair D. Robinson et al.

APPLIED SCIENCES-BASEL (2019)

Article Biochemistry & Molecular Biology

Using Deep Neural Networks to Reconstruct Non-uniformly Sampled NMR Spectra

D. Flemming Hansen

JOURNAL OF BIOMOLECULAR NMR (2019)

Article Chemistry, Multidisciplinary

Improving the accuracy of 1H-19F internuclear distance measurement using 2D 1H-19F HOESY

Lydia Dewis et al.

MAGNETIC RESONANCE IN CHEMISTRY (2019)

Article Engineering, Chemical

Reaction Monitoring by Benchtop NMR Spectroscopy Using a Novel Stationary Flow Reactor Setup

Anne Friebel et al.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2019)

Article Cardiac & Cardiovascular Systems

The global epidemics of diabetes in the 21st century: Current situation and perspectives

Eberhard Standl et al.

EUROPEAN JOURNAL OF PREVENTIVE CARDIOLOGY (2019)

Article Radiology, Nuclear Medicine & Medical Imaging

In situ reaction monitoring in heterogeneous catalysts by a benchtop NMR spectrometer

Markus Leutzsch et al.

MAGNETIC RESONANCE IMAGING (2019)

Article Radiology, Nuclear Medicine & Medical Imaging

Evaluation of benchtop NMR Diffusion Ordered Spectroscopy for small molecule mixture analysis

Evan R. McCarney et al.

MAGNETIC RESONANCE IMAGING (2019)

Review Chemistry, Analytical

Progress in low-field benchtop NMR spectroscopy in chemical and biochemical analysis

Martin Grootveld et al.

ANALYTICA CHIMICA ACTA (2019)

Article Chemistry, Applied

High-throughput authentication of edible oils with benchtop Ultrafast 2D NMR

B. Gouilleux et al.

FOOD CHEMISTRY (2018)

Article Water Resources

Fluorescent Dyes: A New Weapon for Conquering DNAPL Characterization

John Horst et al.

GROUND WATER MONITORING AND REMEDIATION (2018)

Article Infectious Diseases

Tuberculosis: advances and challenges in development of new diagnostics and biomarkers

Gerhard Walzl et al.

LANCET INFECTIOUS DISEASES (2018)

Review Chemistry, Multidisciplinary

Flow reactors integrated with in-line monitoring using benchtop NMR spectroscopy

Patrick Giraudeau et al.

REACTION CHEMISTRY & ENGINEERING (2018)

Article Chemistry, Analytical

Diagnosis of pancreatic cancer via(1)H NMR metabolomics of human plasma

Lenka Michalkova et al.

ANALYST (2018)

Article Chemistry, Analytical

Diffusion-ordered spectroscopy on a benchtop spectrometer for drug analysis

Gaetan Assemat et al.

JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS (2018)

Review Chemistry, Physical

Spatial encoding and spatial selection methods in high-resolution NMR spectroscopy

Jean-Nicolas Dumez

PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY (2018)

Article Medicine, Research & Experimental

Identification of metabolic phenotypes in childhood obesity by 1H NMR metabolomics of blood plasma

Liene Bervoets et al.

FUTURE SCIENCE OA (2018)

Article Chemistry, Multidisciplinary

Gradient-based solvent suppression methods on a benchtop spectrometer

Boris Gouilleux et al.

MAGNETIC RESONANCE IN CHEMISTRY (2017)

Review Medicine, General & Internal

Type 2 diabetes

Sudesna Chatterjee et al.

LANCET (2017)

Article Chemistry, Multidisciplinary

A robust, general automatic phase correction algorithm for high-resolution NMR data

Vadim Zorin et al.

MAGNETIC RESONANCE IN CHEMISTRY (2017)

Review Urology & Nephrology

Metabolomics for clinical use and research in chronic kidney disease

Berthold Hocher et al.

NATURE REVIEWS NEPHROLOGY (2017)

Article Chemistry, Multidisciplinary

Differentiation of enantiomers by 2D NMR spectroscopy at 1T using residual dipolar couplings

Martin R. M. Koos et al.

MAGNETIC RESONANCE IN CHEMISTRY (2016)

Review Chemistry, Analytical

Ultrafast 2D NMR on a benchtop spectrometer: Applications and perspectives

Boris Gouilleux et al.

TRAC-TRENDS IN ANALYTICAL CHEMISTRY (2016)

Review Chemistry, Analytical

Benchtop NMR spectrometers in academic teaching

Susanne D. Riegel et al.

TRAC-TRENDS IN ANALYTICAL CHEMISTRY (2016)

Review Endocrinology & Metabolism

Optimizing water suppression for quantitative NMR-based metabolomics: a tutorial review

Patrick Giraudeau et al.

METABOLOMICS (2015)

Review Chemistry, Physical

Mechanisms of amyloid formation revealed by solution NMR

Theodoros K. Karamanos et al.

PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY (2015)

Article Multidisciplinary Sciences

Accurate, Fully-Automated NMR Spectral Profiling for Metabolomics

Siamak Ravanbakhsh et al.

PLOS ONE (2015)

Article Biochemical Research Methods

Dolphin: a tool for automatic targeted metabolite profiling using 1D and 2D 1H-NMR data

Josep Gomez et al.

ANALYTICAL AND BIOANALYTICAL CHEMISTRY (2014)

Article Chemistry, Multidisciplinary

Ultrahigh-Resolution NMR Spectroscopy

Mohammadali Foroozandeh et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2014)

Review Chemistry, Analytical

60 MHz 1H NMR spectroscopy for the analysis of edible oils

T. Parker et al.

TRAC-TRENDS IN ANALYTICAL CHEMISTRY (2014)

Article Chemistry, Multidisciplinary

Simultaneously Enhancing Spectral Resolution and Sensitivity in Heteronuclear Correlation NMR Spectroscopy

Liladhar Paudel et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)

Article Biochemical Research Methods

Application of 1H NMR Spectroscopy-Based Metabolomics to Sera of Tuberculosis Patients

Aiping Zhou et al.

JOURNAL OF PROTEOME RESEARCH (2013)

Review Biochemistry & Molecular Biology

Getting Your Peaks in Line: A Review of Alignment Methods for NMR Spectral Data

Trung Nghia Vu et al.

METABOLITES (2013)

Review Endocrinology & Metabolism

Metabolomics in diabetes research

Nele Friedrich

JOURNAL OF ENDOCRINOLOGY (2012)

Article Biochemical Research Methods

Identification and quantification of metabolites in 1H NMR spectra by Bayesian model selection

Cheng Zheng et al.

BIOINFORMATICS (2011)

Article Biochemical Research Methods

Metabolic Signatures of Lung Cancer in Biofluids: NMR-Based Metabonomics of Urine

Joana Carrola et al.

JOURNAL OF PROTEOME RESEARCH (2011)

Article Chemistry, Multidisciplinary

Small Magnets for Portable NMR Spectrometers

Ernesto Danieli et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)

Article Biochemical Research Methods

A new general-purpose fully automatic baseline-correction procedure for 1D and 2D NMR data

J. Carlos Cobas et al.

JOURNAL OF MAGNETIC RESONANCE (2006)

Article Chemistry, Medicinal

Peak alignment of urine NMR spectra using fuzzy warping

W Wu et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2006)