Acidity constant and DFT-based modelling of pH-responsive alendronate loading and releasing on propylamine-modified silica surface
Author:
Affiliation:
1. Department of Pharmaceutical Sciences
2. University of KwaZulu-Natal
3. Durban 4000
4. South Africa
Abstract
A computational methodology that couples the acidity (Ka) and density functional theory (DFT) calculations has been developed to explain the pH-dependent drug loading on and releasing from mesoporous silica nanoparticles.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2021/CP/D0CP04498A
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