Application of a new mathematical function for describing chromatographic peaks

Tl, Pap; Pápai, Zs.

doi:10.1016/s0021-9673(01)01163-3

Cited by 35 publications

(11 citation statements)

References 29 publications

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“…To obtain a set of maximally realistic, yet noise-free peaks with a perfectly flat baseline, some of the experimental peaks were fitted (after baseline correction, see previous Section 2.3.1) using the following peak shape model consisting of the sum of two exponen- tial modified Gaussian (EMG) curves [55] and one Pap-Pápai curve [60]:…”

Section: Production Of Theoretical Peaksmentioning

confidence: 99%

Peak deconvolution to correctly assess the band broadening of chromatographic columns

Vanderheyden

Broeckhoven

Desmet

2016

Journal of Chromatography A

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Section: Production Of Theoretical Peaksmentioning

confidence: 99%

Peak deconvolution to correctly assess the band broadening of chromatographic columns

Vanderheyden

Broeckhoven

Desmet

2016

Journal of Chromatography A

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“…That correction provided peaks with no tail and slightly reduced retention times, and it added to the understanding of plate theory [36]. Vanderheyden et al [35] introduced peak deconvolution by using the Pap-Pápai equation [41] and two exponentially-modified Gaussian curves to describe the peak.…”

Section: Introductionmentioning

confidence: 99%

Signal convolution indicates chromatographic pulse flow and open-end flow

2019

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Only slices are measured of very long segments of solute molecules that are injected into columns in chromatographic systems. Since the concentration of solute molecules changes during elution as a function of time, the observed signal should be reconstructed for a comparison of experimental results with theory. The influence of response time on the observed signal in high-performance liquid chromatography experiments was investigated in detail using a C-18 column for the measurement of caffeine in pure methanol as eluent. The response function influenced the observed signal by converting the square signal of pulse flow into a chromatographic peak. At faster linear flow rates (LFRs), the response function influenced the observed shape of the chromatographic peak, whereas diffusion dominated at slow LFRs. By convolution of the square signal with the response function, it was possible to predict the shape of the observed signal and chromatographic parameters and to provide an alternative explanation to the van Deemter equation. By using the shape of a known response function and modelling the new theory to data, it was proposed that the injected solute molecules were eluted over long distances through the chromatographic column, distances that are much longer than the physical length of the system.

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“…All these factors that promote the apparition of asymmetric peaks are not easily modeled . Traditionally, chromatographic peaks have been studied through the Gaussian peak model, although it is known that it can introduced inaccuracy in the estimation of peak parameters (i.e., retention time, peak height, peak widths or half‐widths) . To overcome the above mentioned limitations, Gaussian modified functions such as the Pap‐Pápai function , log‐normal , Polynomially Modified Gaussian (PMG) or the Parabolic Variance Modified Gaussian (PVMG) models has been developed, finding the latter as the most efficient solution for peak analysis due to its improved regression coefficients and lower fitting errors .…”

Section: Introductionmentioning

confidence: 99%

RpeakChrom: Novel R package for the automated characterization and optimization of column efficiency in high‐performance liquid chromatography analysis

et al. 2017

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Characterization of chromatographic columns using the traditional van Deemter method is limited by the necessity of calculating extra-column variance, issue particularly relevant when modeling asymmetrical peaks eluted from monolithic columns. A novel R package that implements Parabolic Variance Modified Gaussian approach for accurate peak modeling, van Deemter equation and two alternatives approaches, based on van Deemter, has been developed to calculate the height equivalent to a theoretical plate (HETP). To assess package capabilities conventional packed reverse-phase and monolithic HPLC columns were characterized. Peaks eluted from the monolithic column showed a high value of factor asymmetry due, in part, to the contribution of extra-column factors. Such deviation can be circumvented by the two alternatives approaches implemented in the R-package. Furthermore, increased values of eddy diffusion and mass transfer kinetics terms in HETP were observed for the packed column, while accuracy was below 9% in all cases. These results showed the usefulness of the R-package for both modeling chromatographic peaks and assessing column efficiency. The RpeakChrom package could become a helpful tool for testing new stationary phases during column development and to evaluate column during its lifetime. This R tool is freely available from CRAN (https://CRAN.R-project.org/package=RpeakChrom).

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Application of a new mathematical function for describing chromatographic peaks

Cited by 35 publications

References 29 publications

Peak deconvolution to correctly assess the band broadening of chromatographic columns

Peak deconvolution to correctly assess the band broadening of chromatographic columns

Signal convolution indicates chromatographic pulse flow and open-end flow

RpeakChrom: Novel R package for the automated characterization and optimization of column efficiency in high‐performance liquid chromatography analysis

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