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Titolo:
Optimising mobile phase composition, its flow-rate and column temperature in HPLC using taboo search
Autore:
Guillaume, YC; Peyrin, E;
Indirizzi:
UFR Sci Med & Pharmaceut, Chim Analyt Lab, F-25030 Besancon, France UFR Sci Med & Pharmaceut Besancon France F-25030 -25030 Besancon, France
Titolo Testata:
TALANTA
fascicolo: 3, volume: 51, anno: 2000,
pagine: 579 - 586
SICI:
0039-9140(20000306)51:3<579:OMPCIF>2.0.ZU;2-V
Fonte:
ISI
Lingua:
ENG
Soggetto:
PERFORMANCE LIQUID-CHROMATOGRAPHY; ORTHOGONAL ARRAY DESIGN; WAVELENGTH SELECTION; ION CHROMATOGRAPHY; GENETIC-ALGORITHM; CLASSIFIER SYSTEM; NEURAL NETWORKS; EXPERT-SYSTEM; OPTIMIZATION; SEPARATION;
Keywords:
taboo search; chemometric; optimisation; chromatography;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
45
Recensione:
Indirizzi per estratti:
Indirizzo: Guillaume, YC UFR Sci Med & Pharmaceut, Chim Analyt Lab, Pl St Jacques, F-25030 Besancon, France UFR Sci Med & Pharmaceut Pl St Jacques Besancon France F-25030
Citazione:
Y.C. Guillaume e E. Peyrin, "Optimising mobile phase composition, its flow-rate and column temperature in HPLC using taboo search", TALANTA, 51(3), 2000, pp. 579-586

Abstract

A chemometric methodology is proposed to study the separation of seven p-hydroxybenzoic esters in reversed phase liquid chromatography (RPLC). Fifteen experiments were found to be necessary to find a mathematical model whichlinked a novel chromatographic response function (CRF) with the column temperature, the water fraction in the mobile phase and its flow rate. The CRFoptimum was determined using a new algorithm based on Glover's taboo search (TS). A flow-rate of 0.9 ml min(-1) with a water fraction of 0.64 in the ACN-water mixture and a column temperature of 10 degrees C gave the most efficient separation conditions. The usefulness of TS was compared with the pure random search (PRS) and simplex search (SS). As demonstrated by calculations, the algorithm avoids entrapment in local minima and continues the search to give a near-optimal final solution. Unlike other methods of global optimisation, this procedure is generally applicable, easy to implement, derivative free, conceptually simple and could be used in the future for muchmore complex optimisation problems. (C) 2000 Elsevier Science B.V. All rights reserved.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 10/07/20 alle ore 02:54:53