Parabolic-Lorentzian modified Gaussian model for describing and deconvolving chromatographic peaks

Caballero, Rocío; Garcı́a-Alvarez-Coque, M.C.; Baeza-Baeza, J.J.

doi:10.1016/s0021-9673(02)00194-2

Cited by 42 publications

(27 citation statements)

References 23 publications

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“…Among them, three models have shown the best performance [1]: the empirically transformed Gaussian (ETG) [2], the parabolic Lorentzian-modified Gaussian (PLMG) [11], and the Haarhoff-van der Linde (HVL) function [9,12], which are described below. A comparison with the proposed CSR model is further presented.…”

Section: Other Peak Modelsmentioning

confidence: 99%

“…It is a stable version of a family of modified Gaussian functions [4,11]. The equation represents a Gaussian whose variance is a combination of parabolic and Lorentzian functions.…”

Section: Other Peak Modelsmentioning

confidence: 99%

“…The flexibility of the model was evaluated on theoretical and experimental peaks with asymmetries in a wide range. The new model was compared with other three models that have shown good performance in the fitting of chromatographic and/or electrophoretic peaks: the empirically transformed Gaussian (ETG) [2], the parabolic Lorentzian-modified Gaussian (PLMG) [11], and the Haarhoff-van der Linde (HVL) function [9, 12]. …”

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confidence: 99%

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A new mathematical function for describing electrophoretic peaks

Garcı́a-Alvarez-Coque

Simó‐Alfonso

Sanchis-Mallols

et al. 2005

Electrophoresis

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A new model is proposed for characterizing skewed electrophoretic peaks, which is a combination of leading and trailing edge functions, empirically modified to get a rapid recovery of the baseline. The peak model is a sum of square roots and is called thereby "combined square roots (CSR) model". The flexibility of the model was checked on theoretical and experimental peaks with asymmetries in the range of 0-10 (expressed as the ratio of the distance between the center and the trailing edge, and the center and the leading edge of the chromatographic peak, measured at 10% of peak height). Excellent fits were found in all cases. The new model was compared with other three models that have shown good performance in modelling chromatographic peaks: the empirically transformed Gaussian, the parabolic Lorentzian-modified Gaussian, and the Haarhoff-van der Linde function. The latter model was proposed recently to describe electrophoretic peaks. The CSR model offered the highest flexibility to describe electrophoretic peak profiles, even those extremely asymmetrical with long tails. The new function has the advantage of using measurable parameters that allow the direct estimation of peak areas, which is useful for quantitative purposes.

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Section: Other Peak Modelsmentioning

confidence: 99%

“…It is a stable version of a family of modified Gaussian functions [4,11]. The equation represents a Gaussian whose variance is a combination of parabolic and Lorentzian functions.…”

Section: Other Peak Modelsmentioning

confidence: 99%

mentioning

confidence: 99%

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A new mathematical function for describing electrophoretic peaks

Garcı́a-Alvarez-Coque

Simó‐Alfonso

Sanchis-Mallols

et al. 2005

Electrophoresis

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“…The proposed models show strong predictive ability, but some of them are not adequate for optimization purposes due to their complexity (up to seven parameters have to be modeled) [28]. The additional problem arises when peak shape has to be modeled in gradient elution mode, where the straightforward relationship between square root of number of theoretical plates and retention time/peak width ratio does not hold.…”

Section: Introductionmentioning

confidence: 99%

Prediction of the chromatographic signal in gradient elution ion chromatography

Bolanča¹,

Stefanović

Ukić

et al. 2009

J of Separation Science

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Original PaperPrediction of the chromatographic signal in gradient elution ion chromatography This study describes the development of a signal prediction model in gradient elution ion chromatography. The proposed model is based on a retention model and generalized logistic peak shape function which guarantees simplicity of the model and its easy implementation in method development process. Extensive analysis of the model predictive ability has been performed for ion chromatographic determination of bromate, nitrite, bromide, iodide, and perchlorate, using KOH solutions as eluent. The developed model shows good predictive ability (average relative error of gradient predictions 1.94%). The developed model offers short calculation times as well as low experimental effort (only nine isocratic runs are used for modeling).

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“…Several papers have presented deconvolution methods for one-dimensional GC [2,3,4]. The two columns of GCxGC are designed to be orthogonal, so onedimensional deconvolution theoretically can be extended to GCxGC in the separable fashion.…”

Section: Introductionmentioning

confidence: 99%