Effect of detector nonlinearity on the height, area, width, and moments of chromatographic peaks based on a Gaussian model

Carr, Peter W.

doi:10.1021/ac50061a047

Cited by 26 publications

(15 citation statements)

References 28 publications

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“…The value assigned to the 318.08 ppb standard is consistently 0.05–0.1 ppb lower using peak height compared with using peak area. Although we cannot rule out the possibility of a coeluting peak, this difference is probably related to the nonlinear nature of the ECD, which would make peak area the prudent choice [ Carr , 1980].…”

Section: Discussionmentioning

confidence: 99%

The NOAA nitrous oxide standard scale for atmospheric observations

Hall¹,

Dutton²,

Elkins³

2007

J. Geophys. Res.

161

174

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A new nitrous oxide (N2O) calibration scale has been developed for atmospheric observations. The NOAA‐2006 N2O scale is based on gravimetrically prepared compressed gas standards. This scale supercedes the NOAA‐2000 scale, which was accepted by the community of experts within the World Meteorological Organization Global Atmosphere Watch program (GAW) as the GAW reference standard. The new scale is defined by thirteen “daughter” standards with dry air mole fractions ranging from 261–371 parts‐per‐billion (nmol mol−1, ppb). These were derived from four part‐per‐million (mmol mol−1, ppm) level “parents”. Standards were evaluated using gas chromatography with electron capture detection. The daughter standards are internally consistent with a standard deviation of residuals of 0.33 ppb, and there is essentially no detectable difference among “cousins” (standards prepared from different parents). The NOAA‐2006 scale is 0.19 ppb lower than the NOAA‐2000 scale at 320 ppb. The global mean N2O mixing ratio (dry air mole fraction), calculated from in situ observations at five monitoring sites was 318.46 ppb in 2004 on the new scale. The NOAA‐2006 scale compares well with other scales based on comparisons of compressed gas standards. The NOAA‐2006 scale is, on average, 0.23% higher than that defined by NIST Standard Reference Materials 2608 and 2609, and an average of 0.01% lower than the Scripps Institution of Oceanography SIO‐98 scale over the range 298–319 ppb.

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Section: Discussionmentioning

confidence: 99%

The NOAA nitrous oxide standard scale for atmospheric observations

Hall¹,

Dutton²,

Elkins³

2007

J. Geophys. Res.

161

174

View full text Add to dashboard Cite

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“…15 In addition, unavoidable run-to-run retention time variations can wreak havoc with multivariate models. Other undesirable variations are mainly due to the detector nonlinearity 16 , ionization suppression 17 , and changes in instrument parameters (e.g., temperature and gas flow fluctuations, and matrix effects). The computational process of classifying data objects is referred to as pattern recognition, in which an algorithm (i.e., a classifier) assigns a class to an object, based on the description of the object.…”

Section: Introductionmentioning

confidence: 99%

Authentication of Organically and Conventionally Grown Basils by Gas Chromatography/Mass Spectrometry Chemical Profiles

Wang

Chen

et al. 2013

Anal. Chem.

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Basil plants cultivated by organic and conventional farming practices were accurately classified by pattern recognition of gas chromatography/mass spectrometry (GC/MS) data. A novel extraction procedure was devised to extract characteristic compounds from ground basil powders. Two in-house fuzzy classifiers, i.e., the fuzzy rule-building expert system (FuRES) and the fuzzy optimal associative memory (FOAM) for the first time, were used to build classification models. Two crisp classifiers, i.e., soft independent modeling by class analogy (SIMCA) and the partial least-squares discriminant analysis (PLS-DA), were used as control methods. Prior to data processing, baseline correction and retention time alignment were performed. Classifiers were built with the two-way data sets, the total ion chromatogram representation of data sets, and the total mass spectrum representation of data sets, separately. Bootstrapped Latin partition (BLP) was used as an unbiased evaluation of the classifiers. By using two-way data sets, average classification rates with FuRES, FOAM, SIMCA, and PLS-DA were 100 ± 0%, 94.4 ± 0.4%, 93.3 ± 0.4%, and 100 ± 0%, respectively, for 100 independent evaluations. The established classifiers were used to classify a new validation set collected 2.5 months later with no parametric changes except that the training set and validation set were individually mean-centered. For the new two-way validation set, classification rates with FuRES, FOAM, SIMCA, and PLS-DA were 100%, 83%, 97%, and 100%, respectively. Thereby, the GC/MS analysis was demonstrated as a viable approach for organic basil authentication. It is the first time that a FOAM has been applied to classification. A novel baseline correction method was used also for the first time. The FuRES and the FOAM are demonstrated as powerful tools for modeling and classifying GC/MS data of complex samples and the data pretreatments are demonstrated to be useful to improve the performance of classifiers.

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“…The peak heights and peak areas of the test compounds were determined using Analyst software version 1.4.2. Since the detector saturation is more dependent on peak height and peak height is more sensitive to linearity change, peak height ratio of analyte/IS was used to construct all the standard curves. Peak area ratio of analyte/IS was also used to compare to the results calculated from peak height.…”

Section: Methodsmentioning

confidence: 99%

Systematic evaluation of the root cause of non‐linearity in liquid chromatography/tandem mass spectrometry bioanalytical assays and strategy to predict and extend the linear standard curve range

Yuan

Zhang

Jemal

et al. 2012

Rapid Comm Mass Spectrometry

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In this work, the root cause of the non-linear behavior of the standard curve when using a SIL-IS was investigated and identified. Based on the findings, an improved multiple SRM channels approach was proposed and successfully applied to obtain a linear dynamic range of five orders of magnitude for one test compound. This approach may work particularly well for LC/MS/MS bioanalytical assay of dried blood spot (DBS) samples, for which a direct dilution is cumbersome.

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Effect of detector nonlinearity on the height, area, width, and moments of chromatographic peaks based on a Gaussian model

Cited by 26 publications

References 28 publications

The NOAA nitrous oxide standard scale for atmospheric observations

The NOAA nitrous oxide standard scale for atmospheric observations

Authentication of Organically and Conventionally Grown Basils by Gas Chromatography/Mass Spectrometry Chemical Profiles

Systematic evaluation of the root cause of non‐linearity in liquid chromatography/tandem mass spectrometry bioanalytical assays and strategy to predict and extend the linear standard curve range

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