title: Central composite design with the help of multivariate curve resolution in loadability optimization of RP-HPLC to scale-up a binary mixture.
abstract: Chromatographic method development for preparative targets is a time-consuming and subjective process. This can be particularly problematic because of the use of valuable samples for isolation and the large consumption of solvents in preparative scale. These processes could be improved by using statistical computations to save time, solvent and experimental efforts. Thus, contributed by ESI-MS, after applying DryLab software to gain an overview of the most effective parameters in separation of synthesized celecoxib and its co-eluted compounds, design of experiment software that relies on multivariate modeling as a chemometric approach was used to predict the optimized touching-band overloading conditions by objective functions according to the relationship between selectivity and stationary phase properties. The loadability of the method was investigated on the analytical and semi-preparative scales, and the performance of this chemometric approach was approved by peak shapes beside recovery and purity of products.
authors.affiliation: Medicinal Plants and Drug Research Institute, Shahid Beheshti University, Tehran, Iran.
authors.forename: Mohammadreza
authors.initials: M
authors.lastname: Taheri
authors.affiliation: Department of Chemistry, Sharif University of Technology, Tehran, Iran.
authors.forename: Roudabeh Sadat
authors.initials: RS
authors.lastname: Moazeni-Pourasil
authors.affiliation: Yadegar-e-Emam Azad University, Tehran, Iran.
authors.forename: Majid
authors.initials: M
authors.lastname: Sheikh-Olia-Lavasani
authors.affiliation: Behan Chemical Co, Tehran, Iran.
authors.forename: Ahmad
authors.initials: A
authors.lastname: Karami
authors.affiliation: Medicinal Plants and Drug Research Institute, Shahid Beheshti University, Tehran, Iran.
authors.forename: Alireza
authors.initials: A
authors.lastname: Ghassempour
mesh_terms: D000068579:Celecoxib / Q000138:chemical synthesis* / Q000737:chemistry / Q000302:isolation & purification; D002851:Chromatography, High Pressure Liquid; D015195:Drug Design; D013058:Mass Spectrometry; D015394:Molecular Structure; D015999:Multivariate Analysis; D012984:Software
chemical_list: D000068579:Celecoxib
keywords: Celecoxib; Central composite design; HPLC modeling; Multivariate curve resolution; Touching band