Quantitative NMR for bioanalysis and metabolomics

Barding, Gregory A.; Salditos, Ryan; Larive, Cynthia K.

doi:10.1007/s00216-012-6188-z

Cited by 160 publications

(148 citation statements)

References 105 publications

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“…This increase in scan rate also allows for the deconvolution of overlapping peaks in the spectra [36][37][38]. Today, in conjunction with NMR, GC-MS has become a popular analytical tool in metabolomic studies investigating a variety of biological functions in mammals, plants, fish, bacteria and fungi, investigating various aspects of foods and flavours and contributing to both environmental and clinical studies [39].…”

Section: Gas Chromatography-mass Spectrometrymentioning

confidence: 99%

Metabolomics in critical care medicine: a new approach to biomarker discovery

Banoei¹,

Donnelly²,

Mickiewicz³

et al. 2014

CIM

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Metabolomics in critical care medicine: a new approach to biomarker discovery Abstract Purpose: To present an overview and comparison of the main metabolomics techniques ( 1 H NMR, GC-MS, and LC-MS) and their current and potential use in critical care medicine.Source: This is a focused review, not a systematic review, using the PubMed database as the predominant source of references to compare metabolomics techniques.Principal Findings: 1 H NMR, GC-MS, and LC-MS are complementary techniques that can be used on a variety of biofluids for metabolomics analysis of patients in the Intensive Care Unit (ICU). These techniques have been successfully used for diagnosis and prognosis in the ICU and other clinical settings; for example, in patients with septic shock and community-acquired pneumonia. Conclusion:Metabolomics is a powerful tool that has strong potential to impact diagnosis and prognosis and to examine responses to treatment in critical care medicine through diagnostic and prognostic biomarker and biopattern identification. REVIEW ARTICLE © 2014 CIMClin Invest Med • Vol 37, no 6, December 2014 E363 Metabolomics refers to the systems level analysis of the metabolism and metabolites in response to physiological stimuli, such as disease or drug administration [1]. The application of clinical metabolomics to the complex illnesses of critical care medicine is relatively new [1,2]. Metabolomics, which is most commonly based on nuclear magnetic resonance (NMR) spectroscopy, gas chromatography-mass spectrometry (GC-MS) and/or liquid chromatography-mass spectrometry (LC-MS) platforms, provides an accurate reflection of the metabolic processes and pathways at play within the human body at a particular moment in time [1]. History of metabolomicsWhile the terms metabolomics and metabonomics are now used interchangeably, their original definitions focused on the level of analysis and the type of analytical technology used. This paper uses the term metabolomics as the terms are often treated as interchangeable and it is more commonly used in the literature than the term metabonomics [1,2]. Nicholson, who first defined metabonomics in 1999, described it as a systemsbased strategy to "measure the global, dynamic metabolic response of living systems to biological stimuli or genetic manipulation" [2]. Conversely, metabolomics was defined as the identification, analysis, and quantification of each metabolite within a biosample [3]. Metabolomics and metabonomics can also be defined by their method of analysis: metabolomics was originally described as a GC-MS-based approach in the study of plant metabolomes [3] and metabonomics was originally defined as NMR-based study of mammalian systems [2]. Although metabolomics and metabonomics were not defined until the late 1990s, biofluid analysis by GC-MS was first reported in the 1960s and 1970s [4]. The basis of today's metabolomics field started in the early 1980s, when NMR technology became adequately sensitive for biofluid metabolite identification. Combined with the use of statisti...

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Section: Gas Chromatography-mass Spectrometrymentioning

confidence: 99%

Metabolomics in critical care medicine: a new approach to biomarker discovery

Banoei¹,

Donnelly²,

Mickiewicz³

et al. 2014

CIM

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“…On the other hand, MS n experiments provide additional structural information for metabolite identification purposes, especially when product ions are analysed at high resolution (with Q-TOF, TOF-TOF, or LTQ-Orbitrap). Evaluation and comparison of NMR and MS analytical platforms on the application in Metabolomics have been extensively studied [79][80][81][82]. Both analytical platforms can be used as a standalone or in combination with previous separation techniques such as gas chromatography (GC), liquid chromatography (LC) or capillary electrophoresis (CE).…”

Section: Metabolomics In Admentioning

confidence: 99%

Metabolomics in the Study of Alzheimer's Disease

Ibáñez

Valdés

García‐Cañas

et al. 2014

Comprehensive Analytical Chemistry

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With an increasing aging population, Alzheimer's disease (AD) has become a social and economic problem to societies worldwide, affecting millions of people. However, pathophysiological events associated with AD are not well elucidated yet and current definitive diagnosis is only obtained after death through examination of brain tissue. In the last years, Metabolomics has been demonstrated to provide deep insights into the full complexity of the disease phenotype and has been established as a promising approach to provide disease-specific metabolite signatures. The incipient application of Metabolomics may potentially contribute in the elucidation of AD physiopathological processes and ideally may offer therapeutic/preventing mechanisms to slow or reverse AD progress. In this chapter non-targeted metabolomics approaches applied to AD investigation are described.

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“…Characterized by this unique property, the application of the quantitative NMR technique to the direct analysis of potency or the purity determination of RMs has attracted much interest. Several papers have been published on the quantitative analysis by 1 H NMR spectroscopy [2][3][4]. As it can be used not only for the purity determination of a pure material [5][6][7] but also for the concentration evaluation [8][9][10], this technique is a high-utility analytical method.…”

Section: Introductionmentioning

confidence: 99%

“…For the intermolecular analysis, chlorfenapyr was used as the internal standard (IS) to determine the purities of flusulfamide and diflubenzuron as analytes. Both the analytes and IS were weighed accurately on aluminum pans in an ultra-micro balance (UMX2, METTLER TOLEDO), added to a vial, and dissolved in methanol-d 4 . All the concentrations were approximately 5 mg g -1 .…”

Section: Introductionmentioning

confidence: 99%

A new approach for accurate quantitative determination using fluorine nuclear magnetic resonance spectroscopy

Yamazaki¹,

Saito²,

Ihara³

2017

J.Chem.Metrol.

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Abstract:A new approach for accurate quantitative determination by fluorine nuclear magnetic resonance ( 19 F NMR) spectroscopy is presented and discussed.19 F NMR spectroscopy has similar properties to 1 H NMR spectroscopy except for the wide chemical shift dispersion, which is the main difference between the two techniques. The off-resonance effect, which is caused by the chemical shift difference between the excitation pulse offset and the resonance signal position, is expected to be the most important parameter influencing the accuracy of the quantitative analysis by 19 F NMR spectroscopy. We propose a new method that reduces the influence of the off-resonance effect in 19 F NMR measurement. First, we discussed the areas of signals originating from different functional groups in a molecule. Then, we evaluated the areas of signals originating from two different reference materials (RMs). The accuracy of the ratios of two signal areas in the 19 F NMR spectrum of a molecule of Potassium perfluorooctanesulfonate was less than 1 %. We also evaluated the purity of flusulfamide and diflubenzuron as RMs, and found that the method could determine the purity to less than 1 % accuracy relative to the reference values.

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Quantitative NMR for bioanalysis and metabolomics

Cited by 160 publications

References 105 publications

Metabolomics in critical care medicine: a new approach to biomarker discovery

Metabolomics in critical care medicine: a new approach to biomarker discovery

Metabolomics in the Study of Alzheimer's Disease

A new approach for accurate quantitative determination using fluorine nuclear magnetic resonance spectroscopy

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