Deconvolution of overlapping chromatographic peaks using constrained non-linear optimization

Vaidya, Rajeev A.; Hester, Roger D.

doi:10.1016/s0021-9673(01)87700-1

Cited by 59 publications

(12 citation statements)

References 26 publications

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“…They are not well represented by Gaussian peak functions. To fit the calculated curves, we instead used generalized exponential peak functions (Vaidya and Hester, 1984). Where phospholipid melting and complex decomposition occur, a linear combination of these peak functions was used to fit the calculated curves.…”

Section: Thermodynamic Modelmentioning

confidence: 99%

Condensed Complexes and the Calorimetry of Cholesterol-Phospholipid Bilayers

Anderson

McConnell

2001

Biophysical Journal

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A recent thermodynamic model describes a reversible reaction between cholesterol (C) and phospholipid (P) to form a condensed complex C(nq)P(np). Here q and p are relatively prime integers used to define the stoichiometric composition, and n is a measure of cooperativity. The present study applies this model to the scanning calorimetry of binary mixtures of cholesterol and saturated phosphatidylcholines, especially work by McElhaney and collaborators. These mixtures generally show two heat capacity peaks, a sharp peak and a broad peak. The sharp heat absorption is largely due to the chain melting transition of pure phospholipid. In the present work the broad heat absorption is attributed to the thermal dissociation of complexes. The best fits of the model to the data require the complex formation to be highly cooperative, with cooperativity n = 12. Detailed comparisons are made between model calculations and calorimetric data. A number of unusual features of the data arise naturally in the model. The principal discrepancy between the calculations and experimental results is a spurious calculated heat absorption peak. This discrepancy is related to the reported relative magnitudes of the integrated broad and sharp heat absorption curves.

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Section: Thermodynamic Modelmentioning

confidence: 99%

Condensed Complexes and the Calorimetry of Cholesterol-Phospholipid Bilayers

Anderson

McConnell

2001

Biophysical Journal

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“…This is equivalent of saying that the molecular mass possesses a distribution at all. As a matter of fact, this function is applicable for the approximation of a much larger span of functions than one will find as naturally occuring MMDs Vaidya and Hester [1984]. Using this approximation together with some basic definitions within the generalized Maxwell model leads to a full description of linear and nonlinear rheological quantities in terms of the MMD.…”

Section: Theorymentioning

confidence: 99%

A Laplace transform method for molecular mass distribution calculation from rheometric data

Lång

2017

Journal of Rheology

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Polydisperse linear polymer melts can be microscopically described by the tube model and fractal reptation dynamics, while on the macroscopic side the generalized Maxwell model is capable of correctly displaying most of the rheological behavior. In this paper, a Laplace transform method is derived and different macroscopic starting points for molecular mass distribution calculation are compared to a classical light scattering evaluation. The underlying assumptions comprise the modern understanding on polymer dynamics in entangled systems but can be stated in a mathematically generalized way. The resulting method is very easy to use due to its mathematical structure and it is capable of calculating multimodal molecular mass distributions of linear polymer melts.

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“…Once such a suitable peak model has been identified, numerical optimizers have been shown to be able to fit them to experimental data [11]. The EMG has been demonstrated to be suitable for optimizer based fitting and deconvolution of most chromatographic peaks providing the observed peak tailing is not too pronounced.…”

Section: Theorymentioning

confidence: 99%

“…The standard error sˆ, j for each parameter j was estimated by Eq. (11), where n is the number of data points, p the number of parameters and RSS the sum of squared residuals of the fit.…”

Section: Statistical Output Analysismentioning

confidence: 99%