Physics Department News
New paper published in The Journal of Physical Chemistry
Professor Steven Brown and AS CDT PhD student, Mo Rahman have published their paper with colleagues from AstraZeneca and C4X titled "Polymorph identification for Flexible Molecules: Linear Regression Analysis of Experimental and Calculated Solution- and Solid-State NMR Data."
The aim of the research is to demonstrate the advantage of bringing in solution-state nuclear magnetic resonance (NMR) data in addition to solid-state NMR data and density-functional theory calculation to identify the solid-state form adopted by a pharmaceutical molecule.
This paper results from a long-standing interaction between Steven Brown’s research group and colleagues at AstraZeneca and C4X. The study is motivated by the requirement of the pharmaceutical industry to fully understand the solid-state landscape adopted by a pharmaceutical, so as to derisk one element of the pathway to bring a pharmaceutical to patients.
Steven Brown says: “This paper showcases the advances that can be achieved when scientists in academia and industry collaborate, sharing know-how and providing context for the development of new analytical and computational approaches.”