Fit for Purpose Experimental Designs and Analyses in Chemical Development

Autor:	Maria Concepción Cerrato Oliveros, Sergio Bacchi, Antonella Carangio, Mohammad Yahyah, Arianna Ribecai
Rok vydání:	2010
Předmět:	Reduction (complexity) Development (topology) Process (engineering) Design of experiments media_common.quotation_subject Organic Chemistry Partial least squares regression Quality (business) Biochemical engineering Physical and Theoretical Chemistry media_common
Zdroj:	Organic Process Research & Development. 14:332-338
ISSN:	1520-586X 1083-6160
DOI:	10.1021/op900286r
Popis:	Classical experimental designs have been used as configurations of choice at GlaxoSmithKline within Chemical Development in establishing robust products and processes while achieving other goals such as reduction of cost, waste, process investigation times and most importantly improved quality. Occasionally, as in this paper, these first intent designs have been proved to be unworkable through irregularly shaped experimental regions induced through chemistry constraints. To achieve optimum efficiency, a fit for purpose computer-aided D-Optimal Design in considering the reduction of cyclic imides to amines has been investigated here, proving to be an invaluable additional tool in applying the appropriate design at the relevant time. In addition, partial least squares (PLS) analyses has been explored with a view of simultaneously modelling the responses whilst primarily identifying those factors having the largest impact across the responses of interest (quantity of reducing agent and solvent, temperature, ...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::eb8df12b0f0640e0a569f3dd33c19de6 https://doi.org/10.1021/op900286r Zobrazit plný text záznamu