Molecular pharmaceutics
Molecular Dynamics Insights into Ibuprofen Nanocrystal Dissolution Put in the Context of Classical Nucleation Theory.
Peter J Skrdla, Benjamin J Coscia, Casey Brock, Thomas Hughes, Dave Giesen, Paul Winget
Published: 202610.1021/acs.molpharmaceut.5c01483
Abstract
Molecular dynamics (MD) simulations of ibuprofen nanocrystal dissolution in water reveal that spherical particles below the critical size (e.g., with radius, r = 20 Å) that are metastable, as predicted by classical nucleation theory (CNT), dissociate…
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