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In the pharmaceutical industry, cocrystals (crystalline materials consisting of different solid neutral molecular species held together by non-covalent interactions) represent an untapped and undeveloped resource for pharmaceutical development. The synthesis of these multicomponent materials enables us to tailor bulk properties through variation of crystal structure, while retaining the chemical properties of the individual components. However, there is often dispute about whether a cocrystal or a salt has been formed due to the lack of suitable experimental data; the location of hydrogens within these molecules is critically linked to their pharmacological properties.
Many textbooks and course lectures have taught scientists that hydrogen atoms cannot be located close to heavy elements using X-rays and neutron diffraction is more appropriate technique. However, it has been shown that hydrogen atoms can be located very accurately using synchrotron X-ray powder diffraction (SXPD), yielding hydrogen bond lengths that are in agreement with results from neutron-based methods [1,2]. Recently, beamline I11 at Diamond has been used to locate the positions of hydrogen in magnesium hydride  and cocrystal system of caffeine and anthranilic acid [3,4].
The proposed summer student project will work with Diamond's Industrial Liaison Group to study pharmaceutical cocrystals using SXPD at beamline I11, assessing its viability for the pharmaceutical communities both industrial and academic. The results will be used to demonstrate to Diamond’s pharmaceutical community that analysis of cocrystals can be accomplished on their bulk formulations.
 Noritake et al. (2002), Applied Phys. Lett. 81, 2008-2010
 M.Woińska et al. (2016), Sci. Adv. DOI: 10.1126/sciadv.1600192
 S.P. Thompson et al (2011), J. Synchrotron Rad. 18, 637–648  N. Madusanka et al (2014), Acta Cryst. B70, 72–80
Suitable Subjects: Chemistry, Pharmacology
Project duration: 8 weeks
TO APPLY PLEASE FOLLOW THE LINK BELOW
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