?url_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Adc&rft.relation=http%3A%2F%2Fd-scholarship-dev.library.pitt.edu%2F22566%2F&rft.title=PARALLEL+POLYMER-BASED+MICROEXTRACTION+METHODS+TO+STUDY+INTERMOLECULAR+ASSOCIATION+AND+PHYSICOCHEMICAL+PROPERTIES&rft.creator=Lu%2C+Dujuan&rft.description=Lipophilicity+and+acid+dissociation+constants+are+important+physicochemical+properties+that+in+part+determine+the+suitability+of+an+organic+molecule+as+a+pharmacological+agent.+Intermolecular+associations+are+omnipresent+in+chemical+and+biochemical+systems+and+particularly+important+in+the+efficacy+of+an+excipient+for+a+poorly+soluble+drug.+Current+standard+methods+to+determine+lipophilicity+require+large+amounts+of+pure+sample+and+have+problems+due+to+emulsion+formation.+This+dissertation+describes+a+method+based+on+distribution+of+the+solutes+between+a+polymer+phase+and+an+aqueous+phase+in+a+96-well+format%2C+in+the+presence+and+absence+of+a+receptor+(e.g.%2C+candidate+excipient)+in+one+of+the+two+phases.+This+parallel+approach+uses+minimal+amounts+of+organic+solvent+and+only+requires+small+amounts+of+sample.+This+approach+has+been+used+to+determine+polymer-water+distribution+coefficients+of+solutes.+In+addition%2C+by+measuring+polymer-water+distribution+coefficients+at+a+variety+of+experimental+conditions%2C+such+as+pH+and+receptor+concentration%2C+acid+dissociation+constants+and+solute-receptor+binding+constants+have+been+successfully+determined+for+several+chemical+systems.++++%0D%0AThis+method+has+been+applied+to+measure+binding+constants+of+econazole+with+six+cyclodextrins+in+aqueous+solutions.+The+acid+dissociation+constant+of+econazole+was+determined+by+measuring+econazole-cyclodextrin+binding+constants+at+various+pH+values.+Distribution+coefficients+and+acid+dissociation+constants+of+twenty-four+novel+drug-like+compounds+have+also+been+determined+by+this+parallel+approach+and+compared+to+the+values+calculated+by+commercially+available+software.+The+software+packages+did+not+adequately+predict+experimental+results%2C+especially+for+ionizable+compounds.+This+emphasizes+the+need+for+laboratory+separations-based+measurements+of+distribution+coefficients.+The+polymeric+phase+was+poly(vinyl+chloride)+(PVC)+plasticized+by+67%25+(w%2Fw)+dioctyl+sebacate+(DOS).+Intermolecular+association+has+also+been+studied+in+Teflon+AF+2400%2C+a+fluorous+polymer+phase%2C+with+and+without+fluorous+hydrogen+bond+donor+Krytox+157+FSH+in+the+96-well+approach.+In+addition%2C+a+novel+fluorous+receptor-doped+fiber+solid+phase+microextraction+(SPME)+was+developed+to+selectively+detect+quinoline+in+aqueous+solutions.+&rft.date=2014-09-24&rft.type=University+of+Pittsburgh+ETD&rft.type=PeerReviewed&rft.format=application%2Fpdf&rft.language=en&rft.identifier=http%3A%2F%2Fd-scholarship-dev.library.pitt.edu%2F22566%2F1%2FDujuan_ETD_DLu_final.pdf&rft.identifier=++Lu%2C+Dujuan++(2014)+PARALLEL+POLYMER-BASED+MICROEXTRACTION+METHODS+TO+STUDY+INTERMOLECULAR+ASSOCIATION+AND+PHYSICOCHEMICAL+PROPERTIES.++Doctoral+Dissertation%2C+University+of+Pittsburgh.++++(Unpublished)++