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

Vadla, Naresh Chary; Davalagar, Vijay Darshan; Prabhakar, S.

doi:10.1007/s11306-012-0492-7

Cited by 8 publications

(3 citation statements)

References 18 publications

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“…It is constantly evolving and taking advantage of new developments in analytical chemistry, including analytical techniques, instrumentation, analytical software, statistical methods, or computational techniques to accelerate or improve data collection, data analysis, and data interpretation. The primary analytical technologies used in metabolomics include liquid chromatography coupled with single-stage mass spectrometry (LC-MS) [1,2,3] or tandem mass spectrometry (LC-MS/MS) [4,5,6,7,8,9], gas chromatography coupled to mass spectrometry (GC-MS) [1,2,10,11], high or ultrahigh performance liquid chromatography coupled to UV or fluorescent detection (HPLC/UPLC) [12,13,14,15,16,17,18,19], and nuclear magnetic resonance (NMR) spectroscopy [20,21,22,23,24,25,26,27]. Each analytical platform has its own advantages and disadvantages.…”

Section: Introductionmentioning

confidence: 99%

NMR Spectroscopy for Metabolomics Research

et al. 2019

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

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Section: Introductionmentioning

confidence: 99%

NMR Spectroscopy for Metabolomics Research

et al. 2019

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“…Analytical chemistry is constantly evolving and taking advantage of new developments in analytical techniques, instrumentation, analytical software, statistical methods, or computational techniques to accelerate or improve data collection, analysis, and interpretation. The primary analytical technologies used in metabolomics include liquid chromatography coupled with single-stage mass spectrometry (LC-MS) [ 10 , 11 , 12 ] or tandem mass spectrometry (LC-MS/MS) [ 13 , 14 , 15 , 16 , 17 , 18 ], gas chromatography coupled to mass spectrometry (GC-MS) [ 10 , 11 , 19 , 20 ], high- or ultrahigh-performance liquid chromatography coupled to UV or fluorescent detection (HPLC/UPLC) [ 21 , 22 , 23 , 24 , 25 , 26 , 27 , 28 ], and nuclear magnetic resonance (NMR) spectroscopy [ 29 , 30 , 31 , 32 , 33 , 34 , 35 , 36 ]. Each analytical platform has its advantages and disadvantages.…”

Section: Introductionmentioning

confidence: 99%

Qualitative and Quantitative Mass Spectrometry in Salivary Metabolomics and Proteomics

2023

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The metabolomics and proteomics analysis of saliva, an excellent biofluid that is a rich source of biological compounds, allows for the safe and frequent screening of drugs, their metabolites, and molecular biomarkers of various diseases. One of the most frequently used analytical methods in saliva analysis is liquid chromatography coupled with mass spectrometry (LC-MS) and tandem mass spectrometry. The low ionisation efficiency of some compounds and a complex matrix makes their identification by MS difficult. Furthermore, quantitative analysis by LC-MS frequently cannot be performed without isotopically labelled standards, which usually have to be specially synthesised. This review presented reports on qualitative and quantitative approaches in salivary metabolomics and proteomics. The purpose of this manuscript was to present the challenges, advances, and future prospects of mass spectrometry, both in the analysis of salivary metabolites and proteins. The presented review should appeal to those interested in the recent advances and trends in qualitative and quantitative mass spectrometry in salivary metabolomics and proteomics, which may facilitate a diagnostic accuracy, the evaluation of treatment efficacy, the early diagnosis of disease, and a forensic investigation of some unapproved drugs for any medical or dietary administration.

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“…Metabolite profiles in biofluids may be measured using several techniques including high performance liquid chromatography (Al-Talla et al 2011a , b ; Li et al 2013 ; Nie et al 2014 ; Szultka et al 2014 ; Lan et al 2010 ; Liang et al 2010 ; Zheng et al 2010 ), tandem mass spectrometry (Guo et al 2013 ; Huang et al 2013b ; Vadla et al 2013 ; Allard et al 2008 ; Chen et al 2009 ; Cho et al 2009 ), gas chromatography with mass spectrometry (Karamani et al 2013 ; Zheng et al 2013 ; Jobu et al 2012 ; Weusten et al 2012 ; Xie et al 2012 ; Kumar et al 2010 ; Qiu et al 2010 ; Sun et al 2009 ) and NMR spectroscopy (Kim et al 2013 ; Wang et al 2013a ; Bertram et al 2011 ; Duarte and Gil 2012 ; He et al 2012 ; Calvani et al 2010 ; Liu et al 2010 ; Zhang et al 2010 ; Michell et al 2008 ; Wishart 2008 ; Zhang et al 2008 ). Each approach has its own advantages and disadvantages, with some techniques being better for analyzing certain biofluids than others.…”

Section: Introductionmentioning

confidence: 99%

Standardizing the experimental conditions for using urine in NMR-based metabolomic studies with a particular focus on diagnostic studies: a review

et al. 2014

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The metabolic composition of human biofluids can provide important diagnostic and prognostic information. Among the biofluids most commonly analyzed in metabolomic studies, urine appears to be particularly useful. It is abundant, readily available, easily stored and can be collected by simple, noninvasive techniques. Moreover, given its chemical complexity, urine is particularly rich in potential disease biomarkers. This makes it an ideal biofluid for detecting or monitoring disease processes. Among the metabolomic tools available for urine analysis, NMR spectroscopy has proven to be particularly well-suited, because the technique is highly reproducible and requires minimal sample handling. As it permits the identification and quantification of a wide range of compounds, independent of their chemical properties, NMR spectroscopy has been frequently used to detect or discover disease fingerprints and biomarkers in urine. Although protocols for NMR data acquisition and processing have been standardized, no consensus on protocols for urine sample selection, collection, storage and preparation in NMR-based metabolomic studies have been developed. This lack of consensus may be leading to spurious biomarkers being reported and may account for a general lack of reproducibility between laboratories. Here, we review a large number of published studies on NMR-based urine metabolic profiling with the aim of identifying key variables that may affect the results of metabolomics studies. From this survey, we identify a number of issues that require either standardization or careful accounting in experimental design and provide some recommendations for urine collection, sample preparation and data acquisition.

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

Cited by 8 publications

References 18 publications

NMR Spectroscopy for Metabolomics Research

NMR Spectroscopy for Metabolomics Research

Qualitative and Quantitative Mass Spectrometry in Salivary Metabolomics and Proteomics

Standardizing the experimental conditions for using urine in NMR-based metabolomic studies with a particular focus on diagnostic studies: a review

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