Observation of non-linear chromatographic peaks in comprehensive two-dimensional gas chromatography

Ong, Ruby; Shellie, Robert A.; Marriott, Philip J.

doi:10.1002/1615-9314(20010501)24:5<367::aid-jssc367>3.0.co;2-u

Cited by 25 publications

(4 citation statements)

References 10 publications

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“…In this way the relative effect from the shifting of a single component near a bin boundary from one bin to another bin in a different analysis is reduced so the additional step of partially assigning data near cell boundaries to multiple cells , was not required. The use of midpoints between the n -paraffin retention times for the bin divisions also means that the abundant n -paraffins (in fresh SAB and diesel) are always binned correctly and not artificially split into different bins from alignment problems and/or column overloading. , …”

Section: Discussionmentioning

confidence: 99%

“…The use of midpoints between the n-paraffin retention times for the bin divisions also means that the abundant n-paraffins (in fresh SAB and diesel) are always binned correctly and not artificially split into different bins from alignment problems and/or column overloading. 31,32 Automated subdivision was performed as follows: For each sample, the peak apex of the internal standard 1-bromoeicosane was aligned to the observed maximum of 1-bromoeicosane in the reference standard by carrying out a simple, discrete integer shift in the x and y directions, without stretching or skewing. The positions of the vertical lines delineating bins were assigned as a defined modulation slice relative to the modulation slice containing the 1-bromoeicosane peak maximum with the bounds for the binning defined using the retention marker mixture.…”

Section: ■ Experimental Sectionmentioning

confidence: 99%

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Data Reduction in Comprehensive Two-Dimensional Gas Chromatography for Rapid and Repeatable Automated Data Analysis

Harvey

Shellie

2012

Anal. Chem.

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A rapid approach for comprehensive two-dimensional gas chromatographic data analysis is introduced, providing important environmental metrics including total petroleum hydrocarbon concentration as well as chemical-class distribution. The approach, comprising transformation of exported data files to two-dimensional retention time arrays, blank subtraction, alignment and projection onto new axes, subdivision of the aligned two-dimensional data matrix, and compilation of summary data is able to be performed without user intervention. The approach satisfies critical goals of rapid batch analysis with repeatability and traceability. Application to assessment of petroleum hydrocarbon contaminated soil samples from Macquarie Island, a remote Southern Ocean island, is shown to illustrate the utility of this new data analysis strategy.

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Section: Discussionmentioning

confidence: 99%

Section: ■ Experimental Sectionmentioning

confidence: 99%

Data Reduction in Comprehensive Two-Dimensional Gas Chromatography for Rapid and Repeatable Automated Data Analysis

Harvey

Shellie

2012

Anal. Chem.

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“…The components present in the 'window' of the wounded Agrostis stolonifera, Pennisetum clandestinum and Trifolium repens samples are numbered according to Table 1 and those in the Eucalyptus leucoxylon 'window' are numbered according to Table 2. Some inevitable small variations in peak positions are caused by peak overloading which leads to nonlinear chromatography and broadened and asymmetric peaks in either of the two columns (Ong et al 26 ). In the fingerprint region, the following compounds-(Z)-3-hexen-1-ol, a-pinene, 1-octen-3-ol, (Z)-3-hexenyl acetate, hexyl acetate and (E)- 2-hexenyl acetate-were present in Agrostis stolonifera (Fig.…”

Section: Comprehensive Gc3gc Vs Gcmentioning

confidence: 99%

Headspace solid-phase microextraction—comprehensive two-dimensional gas chromatography of wound induced plant volatile organic compound emissions

Perera

Marriott

Galbally

2002

Analyst

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Plant emissions of volatile organic compounds from mechanically wounded Agrostis stolonifera, Pennisetum clandestinum, Eucalyptus leucoxylon and Trifolium repens have been sampled by headspace-solid phase microextraction (HS-SPME) and analysed by using comprehensive two-dimensional gas chromatography (GCxGC) for measurement of the plant emissions. GCxGC produces a fingerprint of the volatile organic compounds in a 2D separation space that may be approximately interpreted as a boiling point-polarity space, and may then be presented as a two-dimensional contour plot. This allows identification of sample-dependent variations in component distributions in the 2D plot, which will contain information about plant differences and should therefore facilitate recognition of different plant materials and displays the gross differences in volatiles between each plant species.

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“…Complete mass transfer between 1 D and 2 D columns makes quantification straightforward. However, recovery of precise chromatographic parameters—retention time ( t R ) and SD of the precursor component—and any attendant asymmetry, may be difficult .…”

Section: Introductionmentioning

confidence: 99%

Simultaneous estimation of retention times of overlapping primary peaks in comprehensive two‐dimensional GC

Zeng

Hügel

Marriott

2013

J of Separation Science

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A general approach is developed to estimate the retention time (t(R)) of overlapping primary peaks in comprehensive 2D GC without assumptions such as the limitation of modulation ratio or symmetry of the target primary peak. Accurate determination of t(R) can recover the original peak profile by using mathematical fitting. First, the modulation pattern of the first-dimension peak in the second dimension is summarized with the number of major modulation fractions equal to or less than four. A novel formula to derive t(R) is defined and separately investigated for cases of modulation number for 1-4, on the basis of the center of gravity of all fractions of the primary peak, in the second dimension. A moving-window search strategy is further developed for peak clusters overlapping in both separation dimensions, to extract first dimension tR of pure components with the same second dimension time after data pretreatment (background subtraction; time shift correction). Results are very close to the times of simulated comprehensive 2D GC separations. Compared to methods such as reconstruction of original chromatographic profiles to derive t(R), the proposed approach balances the precision, and ease of adaption to real applications.

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Observation of non-linear chromatographic peaks in comprehensive two-dimensional gas chromatography

Cited by 25 publications

References 10 publications

Data Reduction in Comprehensive Two-Dimensional Gas Chromatography for Rapid and Repeatable Automated Data Analysis

Data Reduction in Comprehensive Two-Dimensional Gas Chromatography for Rapid and Repeatable Automated Data Analysis

Headspace solid-phase microextraction—comprehensive two-dimensional gas chromatography of wound induced plant volatile organic compound emissions

Simultaneous estimation of retention times of overlapping primary peaks in comprehensive two‐dimensional GC

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