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Fine-tuning the release of molecular guests from mesoporous silicas by controlling the orientation and mobility of surface phenyl substituents

TitleFine-tuning the release of molecular guests from mesoporous silicas by controlling the orientation and mobility of surface phenyl substituents
Publication TypeJournal Article
Year of Publication2018
AuthorsManzano, JS, Singappuli-Arachchige, D, Parikh, BL, Slowing, II
JournalChemical Engineering Journal
Volume340
Pagination73-80
Date Published05
Type of ArticleArticle
ISBN Number1385-8947
Accession NumberWOS:000427620200011
Keywordsadsorption, amorphous ibuprofen, biocompatibility, cells, Controlled, Drug delivery systems, drug-delivery system, Engineering, functionalization, Ibuprofen, interface, Mesoporous silica nanoparticles, model, nanoparticles, nmr-spectroscopy, polarity, release, therapy
Abstract

sing ethylene linkers to connect phenyl groups to the surface (PhEt-MSN), and 3) groups co-planar to the surface were obtained by synthesizing a phenylene-bridged periodic mesoporous organosilica (Ph-PMO). The Ibuprofen release profiles from these materials and non-functionalized mesoporous silica nanoparticles (MSN) were analyzed using an adsorption-diffusion model. The model provided kinetic and thermodynamic parameters that evidenced fundamental differences in drug-surface interactions between the materials. All phenyl-bearing materials show lower Ibuprofen initial release rates than bare MSN. The conformationally locked Ph-MSN and Ph-PMO have stronger interactions with the drug (negative Delta G of adsorption) than the flexible PhEt-MSN and bare MSN (positive Delta G of adsorption). These differences in strength of adsorption are consistent with differences between interaction geometries obtained from DFT calculations. B3LYP-D3-optimized models show that pi-pi interactions contribute more to drug adsorption than H-bonding with silanol groups. The results suggest that the type and geometry of interactions control the kinetics and extent of drug release, and should therefore serve as a guide to design new drug delivery systems with precise release behaviors customized to any desired target.

DOI10.1016/j.cej.2017.12.015
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3D Catalysis