Prediction of xanthine solubilities using statistical techniques.
Mixture response-surface methodology can be used as a technique to predict solubility in mixed solvent systems. The present report shows that if the intent is to predict solubility in nonideal solutions, mixture response-surface methodology is a better technique than one which assumes a particular mechanism to hold true. This is demonstrated by comparing the predictive ability of the mixture response-surface model with that of an extended Hildebrand approach to nonideal solutions. The nonideal systems are those used by Martin and co-workers involving the solubility of theobromine, caffeine, and theophylline in dioxane-water mixtures.
D002110:Caffeine / Q000032:analysis; D055598:Chemical Phenomena; D002626:Chemistry, Pharmaceutical; D002627:Chemistry, Physical; D012995:Solubility; D012997:Solvents; D013223:Statistics as Topic; D013805:Theobromine / Q000032:analysis; D013806:Theophylline / Q000032:analysis; D014970:Xanthines / Q000032:analysis*
D012997:Solvents; D014970:Xanthines; D002110:Caffeine; D013806:Theophylline; D013805:Theobromine