title: Modeling structure-function relationships for diffusive drug transport in inert porous geopolymer matrices.
abstract: A unique structure-function relationship investigation of mechanically strong geopolymer drug delivery vehicles for sustained release of potent substances is presented. The effect of in-synthesis water content on geopolymer pore structure and diffusive drug transport is investigated. Scanning electron microscopy, N2 gas adsorption, mercury intrusion porosimetry, compression strength test, drug permeation, and release experiments are performed. Effective diffusion coefficients are measured and compared with corresponding theoretical values as derived from pore size distribution and connectivity via pore-network modeling. By solely varying the in-synthesis water content, mesoporous and mechanically strong geopolymers with porosities of 8%-45% are obtained. Effective diffusion coefficients of the model drugs Saccharin and Zolpidem are observed to span two orders of magnitude (∼1.6-120 × 10(-8) cm(2) /s), comparing very well to theoretical estimations. The ability to predict drug permeation and release from geopolymers, and materials alike, allows future formulations to be tailored on a structural and chemical level for specific applications such as controlled drug delivery of highly potent substances.
authors.affiliation: Division for Nanotechnology and Functional Materials, Department of Engineering Sciences, The Ångström Laboratory, Uppsala University, SE-75121 Uppsala, Sweden. erik.jamstorp@angstrom.uu.se.
authors.forename: Erik
authors.initials: E
authors.lastname: Jämstorp
authors.forename: Maria
authors.initials: M
authors.lastname: Strømme
authors.forename: Göran
authors.initials: G
authors.lastname: Frenning
mesh_terms: D000327:Adsorption; D002626:Chemistry, Pharmaceutical; D019245:Compressive Strength; D018360:Crystallography, X-Ray; D003692:Delayed-Action Preparations; D004058:Diffusion; D004337:Drug Carriers; D007700:Kinetics; D008855:Microscopy, Electron, Scanning; D008958:Models, Molecular; D015394:Molecular Structure; D010539:Permeability; D011108:Polymers / Q000737:chemistry*; D016062:Porosity; D033362:Powder Diffraction; D011725:Pyridines / Q000737:chemistry*; D012439:Saccharin / Q000737:chemistry*; D012995:Solubility; D013329:Structure-Activity Relationship; D013499:Surface Properties; D013678:Technology, Pharmaceutical / Q000379:methods*; D014867:Water / Q000737:chemistry; D000077334:Zolpidem
chemical_list: D003692:Delayed-Action Preparations; D004337:Drug Carriers; D011108:Polymers; D011725:Pyridines; D014867:Water; D000077334:Zolpidem; D012439:Saccharin