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Mixture Experimental Design Applied to Solubility Predictions
Abstract The solubility of theophylline (as a model drug) was studied in four-component systems, using an a priori experimental strategy. Ethanol, polyethylenglycol, propylenglycol, and water were chosen as cosolvents. A reduced cubic model was postulated to describe the solubility as a junction of...
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Published in: | Drug development and industrial pharmacy 1997, Vol.23 (7), p.639-645 |
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container_title | Drug development and industrial pharmacy |
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creator | Vojnovic, Dario Chicco, Daniela |
description | Abstract
The solubility of theophylline (as a model drug) was studied in four-component systems, using an a priori experimental strategy. Ethanol, polyethylenglycol, propylenglycol, and water were chosen as cosolvents. A reduced cubic model was postulated to describe the solubility as a junction of mixture composition. A priori criteria in combination with an exchange algorithm were used to select, from a set of 31 candidate points, the optimal design with the least number of experiments. A weighting was assigned to each of the 31 experiments, on the basis of the cost, in order to obtain a design that would be optimal also from an economic point of view. Such a methodology made it possible to obtain, with the minimum number of experiments and with a low cost, a model which was validated and found suitable for accurate prediction of solubility. |
doi_str_mv | 10.3109/03639049709150764 |
format | article |
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The solubility of theophylline (as a model drug) was studied in four-component systems, using an a priori experimental strategy. Ethanol, polyethylenglycol, propylenglycol, and water were chosen as cosolvents. A reduced cubic model was postulated to describe the solubility as a junction of mixture composition. A priori criteria in combination with an exchange algorithm were used to select, from a set of 31 candidate points, the optimal design with the least number of experiments. A weighting was assigned to each of the 31 experiments, on the basis of the cost, in order to obtain a design that would be optimal also from an economic point of view. Such a methodology made it possible to obtain, with the minimum number of experiments and with a low cost, a model which was validated and found suitable for accurate prediction of solubility.</description><identifier>ISSN: 0363-9045</identifier><identifier>EISSN: 1520-5762</identifier><identifier>DOI: 10.3109/03639049709150764</identifier><language>eng</language><publisher>Colchester: Informa UK Ltd</publisher><subject>Biological and medical sciences ; General pharmacology ; Medical sciences ; Pharmacology. Drug treatments ; Physicochemical properties. Structure-activity relationships</subject><ispartof>Drug development and industrial pharmacy, 1997, Vol.23 (7), p.639-645</ispartof><rights>1997 Informa UK Ltd All rights reserved: reproduction in whole or part not permitted 1997</rights><rights>1997 INIST-CNRS</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c402t-7e9468c0f30df0ddaa6d251bf70c2f58bdbaeb2b466f2ddf89e8af6e019dc6923</citedby><cites>FETCH-LOGICAL-c402t-7e9468c0f30df0ddaa6d251bf70c2f58bdbaeb2b466f2ddf89e8af6e019dc6923</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,4024,27923,27924,27925</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=2695669$$DView record in Pascal Francis$$Hfree_for_read</backlink></links><search><creatorcontrib>Vojnovic, Dario</creatorcontrib><creatorcontrib>Chicco, Daniela</creatorcontrib><title>Mixture Experimental Design Applied to Solubility Predictions</title><title>Drug development and industrial pharmacy</title><description>Abstract
The solubility of theophylline (as a model drug) was studied in four-component systems, using an a priori experimental strategy. Ethanol, polyethylenglycol, propylenglycol, and water were chosen as cosolvents. A reduced cubic model was postulated to describe the solubility as a junction of mixture composition. A priori criteria in combination with an exchange algorithm were used to select, from a set of 31 candidate points, the optimal design with the least number of experiments. A weighting was assigned to each of the 31 experiments, on the basis of the cost, in order to obtain a design that would be optimal also from an economic point of view. Such a methodology made it possible to obtain, with the minimum number of experiments and with a low cost, a model which was validated and found suitable for accurate prediction of solubility.</description><subject>Biological and medical sciences</subject><subject>General pharmacology</subject><subject>Medical sciences</subject><subject>Pharmacology. Drug treatments</subject><subject>Physicochemical properties. Structure-activity relationships</subject><issn>0363-9045</issn><issn>1520-5762</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1997</creationdate><recordtype>article</recordtype><recordid>eNp9kEtLAzEUhYMoWKs_wN0s3I7eZCaZBnVRan2AoqCuh0weNiWdDEmK7b93SlUQoau7uOe795yD0CmG8wIDv4CCFRxKXgHHFCpW7qEBpgRyWjGyjwabfd4L6CE6inEOgAmndICun-wqLYPOpqtOB7vQbRIuu9HRfrTZuOuc1SpLPnv1btlYZ9M6ewlaWZmsb-MxOjDCRX3yPYfo_Xb6NrnPH5_vHibjx1yWQFJeaV6ykQRTgDKglBBMEYobU4Ekho4a1QjdkKZkzBClzIjrkTBMA-ZKMk6KIcLbuzL4GIM2ddd7FWFdY6g3-et_-XvmbMt0IkrhTBCttPEXJIxTxngvu9rKbGt8WIhPH5yqk1g7H36YYteXyz_4TAuXZlIEXc_9MrR9Kzs8fgEEC4Dj</recordid><startdate>1997</startdate><enddate>1997</enddate><creator>Vojnovic, Dario</creator><creator>Chicco, Daniela</creator><general>Informa UK Ltd</general><general>Taylor & Francis</general><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>1997</creationdate><title>Mixture Experimental Design Applied to Solubility Predictions</title><author>Vojnovic, Dario ; Chicco, Daniela</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c402t-7e9468c0f30df0ddaa6d251bf70c2f58bdbaeb2b466f2ddf89e8af6e019dc6923</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1997</creationdate><topic>Biological and medical sciences</topic><topic>General pharmacology</topic><topic>Medical sciences</topic><topic>Pharmacology. Drug treatments</topic><topic>Physicochemical properties. Structure-activity relationships</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Vojnovic, Dario</creatorcontrib><creatorcontrib>Chicco, Daniela</creatorcontrib><collection>Pascal-Francis</collection><collection>CrossRef</collection><jtitle>Drug development and industrial pharmacy</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Vojnovic, Dario</au><au>Chicco, Daniela</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Mixture Experimental Design Applied to Solubility Predictions</atitle><jtitle>Drug development and industrial pharmacy</jtitle><date>1997</date><risdate>1997</risdate><volume>23</volume><issue>7</issue><spage>639</spage><epage>645</epage><pages>639-645</pages><issn>0363-9045</issn><eissn>1520-5762</eissn><abstract>Abstract
The solubility of theophylline (as a model drug) was studied in four-component systems, using an a priori experimental strategy. Ethanol, polyethylenglycol, propylenglycol, and water were chosen as cosolvents. A reduced cubic model was postulated to describe the solubility as a junction of mixture composition. A priori criteria in combination with an exchange algorithm were used to select, from a set of 31 candidate points, the optimal design with the least number of experiments. A weighting was assigned to each of the 31 experiments, on the basis of the cost, in order to obtain a design that would be optimal also from an economic point of view. Such a methodology made it possible to obtain, with the minimum number of experiments and with a low cost, a model which was validated and found suitable for accurate prediction of solubility.</abstract><cop>Colchester</cop><pub>Informa UK Ltd</pub><doi>10.3109/03639049709150764</doi><tpages>7</tpages></addata></record> |
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source | Taylor and Francis:Jisc Collections:Taylor and Francis Read and Publish Agreement 2024-2025:Medical Collection (Reading list) |
subjects | Biological and medical sciences General pharmacology Medical sciences Pharmacology. Drug treatments Physicochemical properties. Structure-activity relationships |
title | Mixture Experimental Design Applied to Solubility Predictions |
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