Trends in chemometric analysis of comprehensive two-dimensional separations

Sinha, Akhouri A.; Prazen, Bryan J.; Synovec, Robert E.

doi:10.1007/s00216-004-2503-7

Cited by 41 publications

(19 citation statements)

References 27 publications

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“…Chemometric calibration techniques have also been applied to GC × GC, such as principal component regression (PCR), partial least squares (PLS), and multilinear partial least squares (NPLS) [48,[63][64][65]. Chemometrics in 2D separations have been reviewed [66,67].…”

Section: Quantitationmentioning

confidence: 99%

Qualitative and quantitative approaches in comprehensive two-dimensional gas chromatography

Murray

2012

Journal of Chromatography A

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Section: Quantitationmentioning

confidence: 99%

Qualitative and quantitative approaches in comprehensive two-dimensional gas chromatography

Murray

2012

Journal of Chromatography A

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“…Although GC/MS provides high sensitivity for analysis, separation often is not ideally achieved in more complex mixtures. Multi-dimensional chromatography methods used in tandem with mass spectrometry, in particular comprehensive two-dimensional gas chromatography coupled with time-of-flight-mass-spectrometry analysis (GC × GC-TOFMS), have been developed to address this issue [22–30]. When coupled to computational deconvolution analysis this technique becomes a powerful tool for identifying and quantifying trace analytes in complex mixtures [3–36].…”

Section: Introductionmentioning

confidence: 99%

Development and application of a comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry method for the analysis of l-β-methylamino-alanine in human tissue

Snyder

Hoggard

Montine

et al. 2010

Journal of Chromatography A

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L-β-methylamino-alanine (BMAA) has been proposed as a worldwide contributor to neurodegenerative diseases, including Parkinson-dementia complex (PDC) of Guam and Alzheimer's disease (AD). Recent conflicting reports of the presence of this amino acid in human brain from patients affected by these diseases have made it necessary to develop methods that provide unambiguous detection in complex samples. Comprehensive two-dimensional gas chromatography coupled with time-of-flight-mass-spectrometry analysis (GC × GC-TOFMS) followed by a targeted Parallel Factor Analysis (PARAFAC) deconvolution method has been used recently in metabolomic investigations to separate, identify, and quantify components of complex biological specimens. We have extended and applied this methodology to the toxicological problem of detecting BMAA in extracts of brain tissue. Our results show that BMAA can be isolated from closely eluting compounds and detected in trace amounts in extracts of brain tissue spiked with low levels of this analyte, ranging from 2.5 ppb to 50 ppb, with a limit of detection (LOD) of 0.7 ppb. This new method was sufficiently sensitive to detect BMAA in cerebral extracts of mice fed BMAA. This optimized approach was then applied to analyze tissue from humans; however, no BMAA was detected in the brain extracts from controls or patients with PDC or AD. Our results demonstrate the application of multidimensional chromatography-mass spectrometry methods and computational deconvolution analysis to the problem of detecting trace amounts of a potential toxin in brain extracts from mice and humans.

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“…However, the second-order advantage is not achieved by both U-PLS and N-PLS, so the composition of the calibration sample set must be carefully designed in order to guarantee that all possible interferences of the prediction sample set (unknown samples) must be present in the calibration step [12,24]. Furthermore, these algorithms do not require peak identification while taking advantage of the redundant measurements of each analyte peak with GC Â GC separation.…”

Section: Multiway Calibration Ii: Direct Approachmentioning

confidence: 99%

Application of Multiway Calibration in Comprehensive Two-Dimensional Gas Chromatography

Godoy

Pedroso

Augusto

et al. 2015

Data Handling in Science and Technology

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Trends in chemometric analysis of comprehensive two-dimensional separations

Cited by 41 publications

References 27 publications

Qualitative and quantitative approaches in comprehensive two-dimensional gas chromatography

Qualitative and quantitative approaches in comprehensive two-dimensional gas chromatography

Development and application of a comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry method for the analysis of l-β-methylamino-alanine in human tissue

Application of Multiway Calibration in Comprehensive Two-Dimensional Gas Chromatography

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