The
micronization process of new compounds is usually performed
based on an empirical basis with a limited understanding of input
material properties and potential challenges. This study focuses on
the understanding of the fracture behavior of small organic molecular
crystals, by using particle shape and surface energy analysis techniques
as well as molecular modeling tools. These methodologies enable us
to generate new data and new ways of working that can provide crucial
information for future pharmaceutical development. The shape, surface
energy, and mechanical properties for four different drug substances
were studied. This study showed that the crystal shape and the intermolecular
interactions influence the dominant fracture mechanism. An in-depth
knowledge of these together with the mechanical properties gives an
insight of the fracture mechanism of small organic molecular crystals.
In a second part, Partial Least Squares regression was applied to
the data sets to model the size reduction ratio and d
90 of the micronized materials. Models were derived using
multiple parameters.
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