Materials, Volume 15, Issue 4
2022 February-2 - 351 articles
Cover Story: This work represents a quantum mechanical study of the interactions of nitrazepam with various models of amorphous silica surfaces, differing in structural and interface properties. The interest in these systems is related to the use of mesoporous silica as a carrier in drug delivery. Do silica–drug interactions favor the drug degradation mechanism, hindering the beneficial pharmaceutical effect? Our simulations demonstrate that adsorption of nitrazepam on amorphous silica is a strongly exothermic process in which a partial proton transfer from the surface to the drug is observed, highlighting a possible catalytic role of silica in the degradation reaction of benzodiazepines. View this paper. - Issues are regarded as officially published after their release is announced to the table of contents alert mailing list .
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