NMR Spectroscopy for Metabolomics Research

Real-Time Pure Shift HSQC NMR for Untargeted Metabolomics

(2019) István Timári et al.   ANALYTICAL CHEMISTRY

Tris(Ethylenediamine)Nickel(II) Thio-Hydroxogermanate Monohydrate: Synthesis, Crystal Structure, 1H NMR, EPR, Optical and Magnetic Properties

(2019) Fatimah Alahmari et al.   INORGANICA CHIMICA ACTA

Identification of metabolites in coriander seeds (Coriandrum Sativum L .) aided by ultrahigh resolution total correlation NMR spectroscopy

(2019) Ajay Verma et al.   MAGNETIC RESONANCE IN CHEMISTRY

Simultaneous metabolic mapping of different anatomies by 1H HR-MAS chemical shift imaging

(2019) Alan Wong et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Selective 1D-TOCSY and chemometrics to evaluate authenticity of Turnera diffusa and related botanical extracts

(2019) J. Ricardo Lucio-Gutiérrez et al.   Phytochemistry Letters

Amide versus amine ratio in the discrimination layer of reverse osmosis membrane by solid state 15N NMR and DNP NMR

(2019) XiaoHua Qiu et al.   JOURNAL OF MEMBRANE SCIENCE

Ultra-Clean Pure Shift 1H-NMR applied to metabolomics profiling

(2019) Juan M. Lopez et al.   Scientific Reports

SABRE hyperpolarization enables high-sensitivity 1H and 13C benchtop NMR spectroscopy

(2018) Peter M. Richardson et al.   ANALYST

Rapid two-dimensional ALSOFAST-HSQC experiment for metabolomics and fluxomics studies: application to a 13C-enriched cancer cell model treated with gold nanoparticles

(2018) Martina Palomino Schätzlein et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

AQuA: An Automated Quantification Algorithm for High-Throughput NMR-Based Metabolomics and Its Application in Human Plasma

(2018) Hanna E. Röhnisch et al.   ANALYTICAL CHEMISTRY

Metabolomics and Isotope Tracing

(2018) Cholsoon Jang et al.   CELL

Hyperpolarized NMR Spectroscopy: d -DNP, PHIP, and SABRE Techniques

(2018) Kirill V. Kovtunov et al.   Chemistry-An Asian Journal

Predicting Octane Number Using Nuclear Magnetic Resonance Spectroscopy and Artificial Neural Networks

(2018) Abdul Gani Abdul Jameel et al.   ENERGY & FUELS

1 H HR-MAS NMR-based metabolomics analysis for dry-fermented sausage characterization

(2018) Ana Belén García-García et al.   FOOD CHEMISTRY

The foodome of bivalve molluscs: From hedonic eating to healthy diet

(2018) Violetta Aru et al.   JOURNAL OF FOOD COMPOSITION AND ANALYSIS

Lipids, Lipoproteins, and Metabolites and Risk of Myocardial Infarction and Stroke

(2018) Michael V. Holmes et al.   JOURNAL OF THE AMERICAN COLLEGE OF CARDIOLOGY

rDolphin: a GUI R package for proficient automatic profiling of 1D 1H-NMR spectra of study datasets

(2018) Daniel Cañueto et al.   Metabolomics

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

(2018) Abdul-Hamid Emwas et al.   Metabolomics

Environmental metabolomics with data science for investigating ecosystem homeostasis

(2018) Jun Kikuchi et al.   PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY

Diastereoisomers of l-proline-linked trityl-nitroxide biradicals: synthesis and effect of chiral configurations on exchange interactions

(2018) Weixiang Zhai et al.   Chemical Science

Metabolomics of Early Stage Plant Cell–Microbe Interaction Using Stable Isotope Labeling

(2018) Qiuying Pang et al.   Frontiers in Plant Science

HR-μMAS NMR-Based Metabolomics: Localized Metabolic Profiling of a Garlic Clove with μg Tissues

(2018) Covadonga Lucas-Torres et al.   ANALYTICAL CHEMISTRY

Uniqueness of the NMR approach to metabolomics

(2018) Panteleimon G. Takis et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Flux Connections Between Gluconate Pathway, Glycolysis, and Pentose–Phosphate Pathway During Carbohydrate Metabolism in Bacillus megaterium QM B1551

(2018) Julie A. Wushensky et al.   Frontiers in Microbiology

Layered copper thioaluminate K2Cu3AlS4: Synthesis, crystal structure, characterization and solid-state 27Al and 39K NMR studies

(2018) Fatimah Alahmari et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Proof of concept for quantitative urine NMR metabolomics pipeline for large-scale epidemiology and genetics

(2018) Tuulia Tynkkynen et al.   INTERNATIONAL JOURNAL OF EPIDEMIOLOGY

Metabolic profiles from two different breakfast meals characterized by 1 H NMR-based metabolomics

(2017) Millie Rådjursöga et al.   FOOD CHEMISTRY

Measurement of 15 N longitudinal relaxation rates in 15 NH 4 + spin systems to characterise rotational correlation times and chemical exchange

(2017) D. Flemming Hansen   JOURNAL OF MAGNETIC RESONANCE

Scale-Invariant Biomarker Discovery in Urine and Plasma Metabolite Fingerprints

(2017) Helena U. Zacharias et al.   JOURNAL OF PROTEOME RESEARCH

ASICS: an automatic method for identification and quantification of metabolites in complex 1D 1H NMR spectra

(2017) Patrick J. C. Tardivel et al.   Metabolomics

Metabolomic signature of brain cancer

(2017) Renu Pandey et al.   MOLECULAR CARCINOGENESIS

Quantification of lipoprotein profiles by nuclear magnetic resonance spectroscopy and multivariate data analysis

(2017) Violetta Aru et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Deconvoluting interrelationships between concentrations and chemical shifts in urine provides a powerful analysis tool

(2017) Panteleimon G. Takis et al.   Nature Communications

Robust Imidazole-15 N2 Synthesis for High-Resolution Low-Field (0.05 T) 15 N Hyperpolarized NMR Spectroscopy

(2017) Roman V. Shchepin et al.   ChemistrySelect

Real-time quantitative analysis of metabolic flux in live cells using a hyperpolarized micromagnetic resonance spectrometer

(2017) Sangmoo Jeong et al.   Science Advances

NMR metabolic fingerprints of murine melanocyte and melanoma cell lines: application to biomarker discovery

(2017) Arquimedes Paixão de Santana-Filho et al.   Scientific Reports

Metabolomic and Imaging: A Literature Review

(2017) Giuseppe Corrias et al.   Current Medical Imaging Reviews

Highly Repeatable Dissolution Dynamic Nuclear Polarization for Heteronuclear NMR Metabolomics

(2016) Aurélien Bornet et al.   ANALYTICAL CHEMISTRY

Parallelized Ligand Screening Using Dissolution Dynamic Nuclear Polarization

(2016) Yaewon Kim et al.   ANALYTICAL CHEMISTRY

PlantMAT: A Metabolomics Tool for Predicting the Specialized Metabolic Potential of a System and for Large-Scale Metabolite Identifications

(2016) Feng Qiu et al.   ANALYTICAL CHEMISTRY

NMR Techniques in Metabolomic Studies: A Quick Overview on Examples of Utilization

(2016) Joanna Kruk et al.   APPLIED MAGNETIC RESONANCE

Effect of organochlorine pesticides exposure on the maize root metabolome assessed using high-resolution magic-angle spinning 1 H NMR spectroscopy

(2016) Claire Blondel et al.   ENVIRONMENTAL POLLUTION

Metabolomics and its application to the evaluation of the efficacy and toxicity of traditional Chinese herb medicines

(2016) Jian Shi et al.   JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES

Soft Corals Biodiversity in the Egyptian Red Sea: A Comparative MS and NMR Metabolomics Approach of Wild and Aquarium Grown Species

(2016) Mohamed A. Farag et al.   JOURNAL OF PROTEOME RESEARCH

Workflow for Integrated Processing of Multicohort Untargeted 1H NMR Metabolomics Data in Large-Scale Metabolic Epidemiology

(2016) Ibrahim Karaman et al.   JOURNAL OF PROTEOME RESEARCH

Recommendations and Standardization of Biomarker Quantification Using NMR-Based Metabolomics with Particular Focus on Urinary Analysis

(2016) Abdul-Hamid Emwas et al.   JOURNAL OF PROTEOME RESEARCH

Over 20% 15N Hyperpolarization in Under One Minute for Metronidazole, an Antibiotic and Hypoxia Probe

(2016) Danila A. Barskiy et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Response of Degarelix treatment in human prostate cancer monitored by HR-MAS 1H NMR spectroscopy

(2016) Basetti Madhu et al.   Metabolomics

Emerging applications of metabolomics in drug discovery and precision medicine

(2016) David S. Wishart   NATURE REVIEWS DRUG DISCOVERY

Metabolomics: beyond biomarkers and towards mechanisms

(2016) Caroline H. Johnson et al.   NATURE REVIEWS MOLECULAR CELL BIOLOGY

Investigation of relative metabolic changes in the organs and plasma of rats exposed to X-ray radiation using HR-MAS1HNMR and solution1HNMR

(2016) Won Gyo Jang et al.   NMR IN BIOMEDICINE

Studying dynamics by magic-angle spinning solid-state NMR spectroscopy: Principles and applications to biomolecules

(2016) Paul Schanda et al.   PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY

Precise and rapid isotopomic analysis by 1 H– 13 C 2D NMR: Application to triacylglycerol matrices

(2016) Noelle Merchak et al.   TALANTA

A guide to the identification of metabolites in NMR-based metabonomics/metabolomics experiments

(2016) Anthony C. Dona et al.   Computational and Structural Biotechnology Journal

Metabolomics of Breast Cancer Using High-Resolution Magic Angle Spinning Magnetic Resonance Spectroscopy: Correlations with 18F-FDG Positron Emission Tomography-Computed Tomography, Dynamic Contrast-Enhanced and Diffusion-Weighted Imaging MRI

(2016) Haesung Yoon et al.   PLoS One

Separation of small metabolites and lipids in spectra from biopsies by diffusion-weighted HR-MAS NMR: a feasibility study

(2015) G. Diserens et al.   ANALYST

High-resolution NMR-based metabolic detection of microgram biopsies using a 1 mm HRμMAS probe

(2015) Yusuke Nishiyama et al.   ANALYST

A roadmap for interpreting 13 C metabolite labeling patterns from cells

(2015) Joerg M Buescher et al.   CURRENT OPINION IN BIOTECHNOLOGY

Environmental metabolomics: Biological markers for metal toxicity

(2015) Miguel Ángel García-Sevillano et al.   ELECTROPHORESIS

TG/DTG, FT-ICR Mass Spectrometry, and NMR Spectroscopy Study of Heavy Fuel Oil

(2015) A. M. Elbaz et al.   ENERGY & FUELS

Real-time pure shift 15N HSQC of proteins: a real improvement in resolution and sensitivity

(2015) Peter Kiraly et al.   JOURNAL OF BIOMOLECULAR NMR

Metabolic characterization of natural and cultured Ophicordyceps sinensis from different origins by 1H NMR spectroscopy

(2015) Jianshuang Zhang et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

Facilitating quality control for spectra assignments of small organic molecules: nmrshiftdb2 - a free in-house NMR database with integrated LIMS for academic service laboratories

(2015) Stefan Kuhn et al.   MAGNETIC RESONANCE IN CHEMISTRY

Application of NMR-based metabolomics for environmental assessment in the Great Lakes using zebra mussel (Dreissena polymorpha)

(2015) Miki Watanabe et al.   Metabolomics

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

(2015) Patrick Giraudeau et al.   Metabolomics

Statistical treatment of 2D NMR COSY spectra in metabolomics: data preparation, clustering-based evaluation of the Metabolomic Informative Content and comparison with 1H-NMR

(2015) Baptiste Féraud et al.   Metabolomics

Metabolomics Workbench: An international repository for metabolomics data and metadata, metabolite standards, protocols, tutorials and training, and analysis tools

(2015) Manish Sud et al.   NUCLEIC ACIDS RESEARCH

Liver fat deposition and mitochondrial dysfunction in morbid obesity: An approach combining metabolomics with liver imaging and histology

(2015) Nahum Calvo   WORLD JOURNAL OF GASTROENTEROLOGY

Chronic toxicity of crude ricinine in rats assessed by 1H NMR metabolomics analysis

(2015) Pingping Guo et al.   RSC Advances

Accurate, Fully-Automated NMR Spectral Profiling for Metabolomics

(2015) Siamak Ravanbakhsh et al.   PLoS One

Analysis of Cancer Metabolism by Imaging Hyperpolarized Nuclei: Prospects for Translation to Clinical Research

(2015) John Kurhanewicz et al.   NEOPLASIA

Convergence of Genes and Cellular Pathways Dysregulated in Autism Spectrum Disorders

(2014) Dalila Pinto et al.   AMERICAN JOURNAL OF HUMAN GENETICS

Customized Metabolomics Database for the Analysis of NMR 1H–1H TOCSY and 13C–1H HSQC-TOCSY Spectra of Complex Mixtures

(2014) Kerem Bingol et al.   ANALYTICAL CHEMISTRY

Evaluation of Fast 2D NMR for Metabolomics

(2014) Adrien Le Guennec et al.   ANALYTICAL CHEMISTRY

Precision High-Throughput Proton NMR Spectroscopy of Human Urine, Serum, and Plasma for Large-Scale Metabolic Phenotyping

(2014) Anthony C. Dona et al.   ANALYTICAL CHEMISTRY

Ultrahigh-Resolution NMR Spectroscopy

(2014) Mohammadali Foroozandeh et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Ultrafast 2D NMR: An Emerging Tool in Analytical Spectroscopy

(2014) Patrick Giraudeau et al.   Annual Review of Analytical Chemistry

Diastereomeric ratio determination by high sensitivity band-selective pure shift NMR spectroscopy

(2014) Ralph W. Adams et al.   CHEMICAL COMMUNICATIONS

Propane-d6 Heterogeneously Hyperpolarized by Parahydrogen

(2014) Kirill V. Kovtunov et al.   Journal of Physical Chemistry C

Ultrahigh-Resolution Total Correlation NMR Spectroscopy

(2014) Mohammadali Foroozandeh et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

GC-MS based metabolomics identification of possible novel biomarkers for schizophrenia in peripheral blood mononuclear cells

(2014) Mei-Ling Liu et al.   Molecular BioSystems

Potential of metabolomics in preclinical and clinical drug development

(2014) Baldeep Kumar et al.   Pharmacological Reports

Signal Intensities Derived from Different NMR Probes and Parameters Contribute to Variations in Quantification of Metabolites

(2014) Paige Lacy et al.   PLoS One

NMR-based metabolomics: From sample preparation to applications in nutrition research

(2014) Lorraine Brennan   PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY

How different is the composition of the fouling layer of wastewater reuse and seawater desalination RO membranes?

(2014) Muhammad Tariq Khan et al.   WATER RESEARCH

Stable isotope-labeling studies in metabolomics: new insights into structure and dynamics of metabolic networks

(2014) Achuthanunni Chokkathukalam et al.   Bioanalysis

An integrated strategy for in vivo metabolite profiling using high-resolution mass spectrometry based data processing techniques

(2013) Jian Guo et al.   ANALYTICA CHIMICA ACTA

Discovery of safety biomarkers for realgar in rat urine using UFLC-IT-TOF/MS and 1H NMR based metabolomics

(2013) Yin Huang et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Pattern Recognition Analysis for Hepatotoxicity Induced by Acetaminophen Using Plasma and Urinary 1H NMR-Based Metabolomics in Humans

(2013) Ji Won Kim et al.   ANALYTICAL CHEMISTRY

15N-Cholamine—A Smart Isotope Tag for Combining NMR- and MS-Based Metabolite Profiling

(2013) Fariba Tayyari et al.   ANALYTICAL CHEMISTRY

Efficient Detection of Hydrogen Bonds in Dynamic Regions of RNA by Sensitivity-Optimized NMR Pulse Sequences

(2013) Andre Dallmann et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Simultaneously Enhancing Spectral Resolution and Sensitivity in Heteronuclear Correlation NMR Spectroscopy

(2013) Liladhar Paudel et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Pharmacokinetic study of amoxicillin in human plasma by solid-phase microextraction followed by high-performance liquid chromatography-triple quadrupole mass spectrometry

(2013) Malgorzata Szultka et al.   BIOMEDICAL CHROMATOGRAPHY

Flux analysis and metabolomics for systematic metabolic engineering of microorganisms

(2013) Yoshihiro Toya et al.   BIOTECHNOLOGY ADVANCES

1H and 13C chemical shift assignment of the monomers that comprise carboxymethyl cellulose

(2013) Hiroyuki Kono   CARBOHYDRATE POLYMERS

The toxicity of 3-chloropropane-1,2-dipalmitate in Wistar rats and a metabonomics analysis of rat urine by ultra-performance liquid chromatography–mass spectrometry

(2013) Jianshuang Li et al.   CHEMICO-BIOLOGICAL INTERACTIONS

Coefficient of variation, signal-to-noise ratio, and effects of normalization in validation of biomarkers from NMR-based metabonomics studies

(2013) Bo Wang et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Non-invasive In-cell Determination of Free Cytosolic [NAD+]/[NADH] Ratios Using Hyperpolarized Glucose Show Large Variations in Metabolic Phenotypes

(2013) Caspar Elo Christensen et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Selectively dispersed isotope labeling for protein structure determination by magic angle spinning NMR

(2013) Matthew T. Eddy et al.   JOURNAL OF BIOMOLECULAR NMR

Suppressing exchange effects in diffusion-ordered NMR spectroscopy

(2013) Juan A. Aguilar et al.   JOURNAL OF MAGNETIC RESONANCE

Effects of Intra- and Post-Operative Ischemia on the Metabolic Profile of Clinical Liver Tissue Specimens Monitored by NMR

(2013) Stefano Cacciatore et al.   JOURNAL OF PROTEOME RESEARCH

Material and Elastic Properties of Al-Tobermorite in Ancient Roman Seawater Concrete

(2013) Marie D. Jackson et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

A Simple Method to Measure Protein Side-Chain Mobility Using NMR Chemical Shifts

(2013) Mark V. Berjanskii et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Utilizing NMR and EPR spectroscopy to probe the role of copper in prion diseases

(2013) Abdul-Hamid M. Emwas et al.   MAGNETIC RESONANCE IN CHEMISTRY

NMR-based metabolomics coupled with pattern recognition methods in biomarker discovery and disease diagnosis

(2013) Ai-hua Zhang et al.   MAGNETIC RESONANCE IN CHEMISTRY

Understanding the variability of compound quantification from targeted profiling metabolomics of 1D-1H-NMR spectra in synthetic mixtures and urine with additional insights on choice of pulse sequences and robotic sampling

(2013) Stanislav Sokolenko et al.   Metabolomics

NMR-based metabolomics in human disease diagnosis: applications, limitations, and recommendations

(2013) Abdul-Hamid M. Emwas et al.   Metabolomics

¹H NMR-based metabolic profiling of human rectal cancer tissue

(2013) Huijuan Wang et al.   Molecular Cancer

Hyperpolarized singlet lifetimes of pyruvate in human blood and in the mouse

(2013) Irene Marco-Rius et al.   NMR IN BIOMEDICINE

A metabolomics approach to evaluate the effects of shiitake mushroom (Lentinula edodes) treatment in undernourished young rats

(2013) Patrícia Molz et al.   NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

The Human Urine Metabolome

(2013) Souhaila Bouatra et al.   PLoS One

Recent NMR developments applied to organic–inorganic materials

(2013) Christian Bonhomme et al.   PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY

Dehydrodimerization of pterostilbene during electrospray ionization mass spectrometry

(2013) Misjudeen Raji et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Metabolic changes in acute cerebral infarction: Findings from proton magnetic resonance spectroscopic imaging

(2013) AI-QIN LIN et al.   Experimental and Therapeutic Medicine

Nitridated Fibrous Silica (KCC-1) as a Sustainable Solid Base Nanocatalyst

(2013) Mohamed Bouhrara et al.   ACS Sustainable Chemistry & Engineering

NMR and pattern recognition methods in metabolomics: From data acquisition to biomarker discovery: A review

(2012) Agnieszka Smolinska et al.   ANALYTICA CHIMICA ACTA

Fast Determination of Absolute Metabolite Concentrations by Spatially Encoded 2D NMR: Application to Breast Cancer Cell Extracts

(2012) Adrien Le Guennec et al.   ANALYTICAL CHEMISTRY

Decoupling Two-Dimensional NMR Spectroscopy in Both Dimensions: Pure Shift NOESY and COSY

(2012) Juan A. Aguilar et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

BATMAN--an R package for the automated quantification of metabolites from nuclear magnetic resonance spectra using a Bayesian model

(2012) J. Hao et al.   BIOINFORMATICS

Theory for cross effect dynamic nuclear polarization under magic-angle spinning in solid state nuclear magnetic resonance: The importance of level crossings

(2012) Kent R. Thurber et al.   JOURNAL OF CHEMICAL PHYSICS

Solid-state NMR and wide-angle X-ray diffraction study of hydrofluoroether/β-cyclodextrin inclusion complex

(2012) Yusuke Koito et al.   JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY

Double tuning a single input probe for heteronuclear NMR spectroscopy at low field

(2012) Sasidhar Tadanki et al.   JOURNAL OF MAGNETIC RESONANCE

Toward single-shot pure-shift solution 1H NMR by trains of BIRD-based homonuclear decoupling

(2012) Adonis Lupulescu et al.   JOURNAL OF MAGNETIC RESONANCE

Combination of LC–MS- and GC–MS-based Metabolomics to Study the Effect of Ozonated Autohemotherapy on Human Blood

(2012) Michal Ciborowski et al.   JOURNAL OF PROTEOME RESEARCH

Detection and characterization of N-alkyl diethanolamines and N-2-alkoxyethyl diethanolamines in milk by electrospray ionization mass spectrometry

(2012) Naresh Chary Vadla et al.   Metabolomics

Structural characterization of an intrinsically unfolded mini-HBX protein from hepatitis B virus

(2012) Si-Hyung Lee et al.   MOLECULES AND CELLS

Toward interoperable bioscience data

(2012) Susanna-Assunta Sansone et al.   NATURE GENETICS

HMDB 3.0—The Human Metabolome Database in 2013

(2012) David S. Wishart et al.   NUCLEIC ACIDS RESEARCH

Proton magnetic resonance imaging with para-hydrogen induced polarization

(2012) Jan F. Dechent et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Quantitative 1H NMR spectroscopy

(2012) Santosh Kumar Bharti et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Evaluation of a Semipolar Solvent System as a Step toward Heteronuclear Multidimensional NMR-Based Metabolomics for13C-Labeled Bacteria, Plants, and Animals

(2011) Yasuyo Sekiyama et al.   ANALYTICAL CHEMISTRY

Identification of Urinary Biomarkers Related to Cisplatin-Induced Acute Renal Toxicity Using NMR-Based Metabolomics

(2011) He Wen et al.   Biomolecules & Therapeutics

Spin echo NMR spectra without J modulation

(2011) Juan A. Aguilar et al.   CHEMICAL COMMUNICATIONS

How the 1D-NOESY suppresses solvent signal in metabonomics NMR spectroscopy: An examination of the pulse sequence components and evolution

(2011) Ryan T. Mckay   CONCEPTS IN MAGNETIC RESONANCE PART A

Solid state NMR and bioequivalence comparison of the pharmacokinetic parameters of two formulations of clindamycin

(2011) Z.A. Al-Talla et al.   INTERNATIONAL JOURNAL OF CLINICAL PHARMACOLOGY AND THERAPEUTICS

NMR-based metabonomic approach on the toxicological effects of a Cimicifuga triterpenoid

(2011) Cui-Cui He et al.   JOURNAL OF APPLIED TOXICOLOGY

The application of micro-coil NMR probe technology to metabolomics of urine and serum

(2011) John H. Grimes et al.   JOURNAL OF BIOMOLECULAR NMR

Use of optimized 1D TOCSY NMR for improved quantitation and metabolomic analysis of biofluids

(2011) Peter Sandusky et al.   JOURNAL OF BIOMOLECULAR NMR

Visualizing the principal component of 1H,15N-HSQC NMR spectral changes that reflect protein structural or functional properties: application to troponin C

(2011) Ian M. Robertson et al.   JOURNAL OF BIOMOLECULAR NMR

Real-Time Molecular Imaging of Tricarboxylic Acid Cycle Metabolism in Vivo by Hyperpolarized 1-13C Diethyl Succinate

(2011) Niki M. Zacharias et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Herbal Medicines and Infectious Diseases: Characterization by LC-SPE-NMR of Some Medicinal Plant Extracts Used against Malaria

(2011) Yong-Jiang Xu et al.   PLANTA MEDICA

An Effective Assessment of Simvastatin-Induced Toxicity with NMR-Based Metabonomics Approach

(2011) Hye-ji Yang et al.   PLoS One

The Human Serum Metabolome

(2011) Nikolaos Psychogios et al.   PLoS One

Integration of metabolomics in heart disease and diabetes research: current achievements and future outlook

(2011) Warwick B Dunn et al.   Bioanalysis

Bioequivalence assessment of two formulations of ibuprofen

(2011) Zeyad Al-Talla et al.   Drug Design Development and Therapy

Advances in NMR-based biofluid analysis and metabolite profiling

(2010) Shucha Zhang et al.   ANALYST

Monitoring Real-Time Metabolism of Living Cells by Fast Two-Dimensional NMR Spectroscopy

(2010) Andrea Motta et al.   ANALYTICAL CHEMISTRY

Evaluation of Full-ResolutionJ-Resolved1H NMR Projections of Biofluids for Metabonomics Information Retrieval and Biomarker Identification

(2010) Judith M. Fonville et al.   ANALYTICAL CHEMISTRY

Pure Shift 1H NMR: A Resolution of the Resolution Problem?

(2010) Juan A. Aguilar et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Continuous 1H and 13C Signal Enhancement in NMR Spectroscopy and MRI Using Parahydrogen and Hollow-Fiber Membranes

(2010) Meike Roth et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Comparison of 1-D and 2-D NMR techniques for screening earthworm responses to sub-lethal endosulfan exposure

(2010) Jimmy Yuk et al.   Environmental Chemistry

Gut microbiome-derived metabolites characterize a peculiar obese urinary metabotype

(2010) R Calvani et al.   INTERNATIONAL JOURNAL OF OBESITY

Solid-state NMR paramagnetic relaxation enhancement immersion depth studies in phospholipid bilayers

(2010) Shidong Chu et al.   JOURNAL OF MAGNETIC RESONANCE

Para-hydrogenated Glucose Derivatives as Potential13C-Hyperpolarized Probes for Magnetic Resonance Imaging

(2010) Francesca Reineri et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

True Chemical Shift Correlation Maps: A TOCSY Experiment with Pure Shifts in Both Dimensions

(2010) Gareth A. Morris et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

NMR-based metabolomic analysis of plants

(2010) Hye Kyong Kim et al.   Nature Protocols

Application of ex situ dynamic nuclear polarization in studying small molecules

(2010) Christian Ludwig et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Correction:1H-NMR-Based Metabolomic Profiling of CSF in Early Amyotrophic Lateral Sclerosis

(2010) Hélène Blasco et al.   PLoS One

Solvent signal suppression in NMR

(2010) Gang Zheng et al.   PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY

Structure determination and dynamics of protein–RNA complexes by NMR spectroscopy

(2010) Cyril Dominguez et al.   PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY

Penetrative DNA intercalation and G-base selectivity of an organometallic tetrahydroanthracene RuII anticancer complex

(2010) Hong-Ke Liu et al.   Chemical Science

Chemoselective15N Tag for Sensitive and High-Resolution Nuclear Magnetic Resonance Profiling of the Carboxyl-Containing Metabolome

(2009) Tao Ye et al.   ANALYTICAL CHEMISTRY

Urinary metabonomic study on biochemical changes in chronic unpredictable mild stress model of depression

(2009) Shuning Zheng et al.   CLINICA CHIMICA ACTA

1H NMR-based metabonomics for investigating diabetes

(2009) Anthony D Maher et al.   Future Medicinal Chemistry

A theoretical basis for spontaneous polarization transfer in non-hydrogenative parahydrogen-induced polarization

(2009) Ralph W. Adams et al.   JOURNAL OF CHEMICAL PHYSICS

Simple quality assessment approach for herbal extracts using high performance liquid chromatography-UV based metabolomics platform

(2009) Ke Lan et al.   JOURNAL OF CHROMATOGRAPHY A

Narrow peaks and high dimensionalities: Exploiting the advantages of random sampling

(2009) Krzysztof Kazimierczuk et al.   JOURNAL OF MAGNETIC RESONANCE

Metabonomics study of urine from Sprague–Dawley rats exposed to Huang-yao-zi using 1H NMR spectroscopy

(2009) Yanru Liu et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

Qualitative and quantitative analysis of traditional Chinese medicine Niu Huang Jie Du Pill using ultra performance liquid chromatography coupled with tunable UV detector and rapid resolution liquid chromatography coupled with time-of-flight tandem mass spectrometry

(2009) Xu Liang et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

Individual Human Phenotypes in Metabolic Space and Time

(2009) Patrizia Bernini et al.   JOURNAL OF PROTEOME RESEARCH

Application of 31P NMR spectroscopy and chemical derivatization for metabolite profiling of lipophilic compounds in human serum

(2009) M. Aruni DeSilva et al.   MAGNETIC RESONANCE IN CHEMISTRY

Chemical shift calibration of 1H MAS NMR liver tissue spectra exemplified using a study of glycine protection of galactosamine toxicity

(2009) Young-Shick Hong et al.   MAGNETIC RESONANCE IN CHEMISTRY

Metabolic network discovery through reverse engineering of metabolome data

(2009) Tunahan Çakır et al.   Metabolomics

Two-dimensional J-resolved NMR spectroscopy: review of a key methodology in the metabolomics toolbox

(2009) Christian Ludwig et al.   PHYTOCHEMICAL ANALYSIS

Increasing Hyperpolarized Spin Lifetimes Through True Singlet Eigenstates

(2009) W. S. Warren et al.   SCIENCE

Reversible Interactions with para-Hydrogen Enhance NMR Sensitivity by Polarization Transfer

(2009) R. W. Adams et al.   SCIENCE

Metabolomics approaches for discovering biomarkers of drug-induced hepatotoxicity and nephrotoxicity

(2009) Richard D. Beger et al.   TOXICOLOGY AND APPLIED PHARMACOLOGY

Correlative and quantitative 1H NMR-based metabolomics reveals specific metabolic pathway disturbances in diabetic rats

(2008) Shucha Zhang et al.   ANALYTICAL BIOCHEMISTRY

Comparing Capillary Electrophoresis−Mass Spectrometry Fingerprints of Urine Samples Obtained after Intake of Coffee, Tea, or Water

(2008) Erik Allard et al.   ANALYTICAL CHEMISTRY

Evaluation of Ultrafast 2D NMR for Quantitative Analysis

(2008) Patrick Giraudeau et al.   ANALYTICAL CHEMISTRY

Determinants for Optimal Enhancement in Ex Situ DNP Experiments

(2008) A.-H. Emwas et al.   APPLIED MAGNETIC RESONANCE

The Solid Effect

(2008) W. T. Wenckebach   APPLIED MAGNETIC RESONANCE

In vivodynamics of glycolysis inEscherichia colishows need for growth-rate dependent metabolome analysis

(2008) Jochen Schaub et al.   BIOTECHNOLOGY PROGRESS

MetaboMiner – semi-automated identification of metabolites from 2D NMR spectra of complex biofluids

(2008) Jianguo Xia et al.   BMC BIOINFORMATICS

Metabolic significance of bisphenol A-induced oxidative stress in rat urine measured by liquid chromatography-mass spectrometry

(2008) Sung-Hee Cho et al.   JOURNAL OF APPLIED TOXICOLOGY

Benign and Atypical Meningioma Metabolic Signatures by High-Resolution Magic-Angle Spinning Molecular Profiling

(2008) Daniel Monleón et al.   JOURNAL OF PROTEOME RESEARCH

Preliminary characterization of an experimental breast cancer cells brain metastasis mouse model by MRI/MRS

(2008) R. V. Simões et al.   MAGNETIC RESONANCE MATERIALS IN PHYSICS BIOLOGY AND MEDICINE

Metabolite identification via the Madison Metabolomics Consortium Database

(2008) Qiu Cui et al.   NATURE BIOTECHNOLOGY

HMDB: a knowledgebase for the human metabolome

(2008) D. S. Wishart et al.   NUCLEIC ACIDS RESEARCH

NMR metabolic profiling of organic and aqueous sea bass extracts: Implications in the discrimination of wild and cultured sea bass

(2008) L. Mannina et al.   TALANTA

Quantitative metabolomics using NMR

(2008) David S. Wishart   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Analysis of human urine metabolites using SPE and NMR spectroscopy

(2008) WeiJin Yang et al.   Science in China. Series B, Chemistry

Pre-SAT180, a simple and effective method for residual water suppression

(2007) Huaping Mo et al.   JOURNAL OF MAGNETIC RESONANCE