Reflections on the modified simplex—I

Betteridge, D.; Wade, Adrian P.; Howard, A.G.

doi:10.1016/0039-9140(85)80174-0

Cited by 53 publications

(21 citation statements)

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“…For example, for two factors the simplex will be a triangle. The basic method of simplex optimisation is not entirely satisfactory and modifications, which include variable size simplex, more accurately locate the optimum, reducing the number of experiments and hence the time taken to optimise the response 10–12…”

Section: Uk Maximum Residue Limits (Mrls) Of Chlormequat In Various Cmentioning

confidence: 99%

Optimisation of ion trap parameters for the quantification of chlormequat by liquid chromatography/mass spectrometry and the application in the analysis of pear extracts

Evans

Startin²,

Goodall

et al. 2000

Rapid Commun. Mass Spectrom.

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Optimisation of the activation parameters for ion trap mass spectrometric analysis of the chlormequat cation using simplex optimisation enabled the product ion (m/z 58) response to be improved 1000-fold. A comparison of the sensitivity of the optimised ion trap mass spectrometer with that of a triple quadrupole mass spectrometer for liquid chromatography/tandem mass spectrometry (LC/MS/MS) showed that similar limits of detection (LODs) could be achieved. For the MS/MS transition of the (35)Cl precursor to the most abundant product, LODs were 0.8 ng cation mL(-1) (0.004 mg cation kg(-1) pear equivalent) and 1.0 ng cation mL(-1) (0.005 mg cation kg(-1) pear equivalent) on the triple quadrupole and ion trap instrument, respectively.

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Section: Uk Maximum Residue Limits (Mrls) Of Chlormequat In Various Cmentioning

confidence: 99%

Optimisation of ion trap parameters for the quantification of chlormequat by liquid chromatography/mass spectrometry and the application in the analysis of pear extracts

Evans

Startin²,

Goodall

et al. 2000

Rapid Commun. Mass Spectrom.

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“…[8][9][10][11] A number of studies on the modification and improvement of the original algorithm have been published over the last 20 years. [12][13][14][15][16] In this study, we therefore decided to utilize the simplex method for optimizing the mobile phase content in an analysis of ionic liquid cations. In this paper, we present our data on the optimization of HPLC separation of ionic liquid cations on a polar reverse stationary phase using a variable-size simplex algorithm.…”

Section: Introductionmentioning

confidence: 99%

Simplex-optimized Chromatographic Resolution of Selected Ionic Liquid Cations Utilizing a Polar Reversed-Phase System

et al. 2008

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This study reports on optimization of the RP-HPLC separation of imidazolium and pyridinium ionic liquid cations using a variable-size simplex algorithm. Under the optimized conditions, all critical pairs of ionic liquids were successfully separated in a single chromatographic run. The mobile phase at the point corresponding to the optimum consisted of 10% MeOH and 90% 15 mM KH2PO4/H3PO4 with pH 3.43. The coefficients of asymmetry for all of the compounds analyzed at the simplex algorithm optimum ranged from 0.83 to 2.91.

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“…The basic simplex rule [24] and improvements leading to the modified simplex method [21] are used as the two optimization algorithms in Multisimplex. Because the simplex algorithm can handle only one response at a time, and there usually are many response variables to optimize simultaneously, a method is needed to obtain measure of joint response from the individual variables.…”

Section: Multisimplex Version 10mentioning

confidence: 99%

Optimization and characterization of the chiral separation of citalopram and its demethylated metabolites by response-surface methodology

Carlsson

Norlander

2001

Chromatographia

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SummaryResponse-surface modelling and sequential optimization have been used for optimization and characterization of the separation of the enantiomers of citalopram, desmethylcitalopram, and didesmethylcitalopram on an acetylated J~-cyclodextrin column. In the model chosen the separation conditions mobile phase methanol content, buffer concentration, column temperature, and pH were varied to investigate their influence on the chromatography.It was found that what is good for selectivity within an enantiomer pair is bad for selectivity between enantiomer pairs. Because within-pair and belvveen-pair selectivity does not reach its optimum at the same conditions, a middle course approach has to be followed.Use of an experimental design for this investigation enabled understanding of the mechanisms of within-and bel,,veen-pair separation for citalopram, desmethylcitalopram, and didesmethylcitalopram. Sequential optimization can be a quicker means of optimizing a chromatographic separation; response-surface modelling, in addition to enabling optimization of the chromatographic process, also serves as a tool for learning more about the separation mechanism.

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Reflections on the modified simplex—I

Cited by 53 publications

References 0 publications

Optimisation of ion trap parameters for the quantification of chlormequat by liquid chromatography/mass spectrometry and the application in the analysis of pear extracts

Optimisation of ion trap parameters for the quantification of chlormequat by liquid chromatography/mass spectrometry and the application in the analysis of pear extracts

Simplex-optimized Chromatographic Resolution of Selected Ionic Liquid Cations Utilizing a Polar Reversed-Phase System

Optimization and characterization of the chiral separation of citalopram and its demethylated metabolites by response-surface methodology

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