Personal webpage: www.mollicalab.fr
I am interested in polymorphic functional molecular materials (i.e. that can exist in multiple crystalline forms). These materials have applications in many domains, going from pharmaceutical science, to energy or electronics. Exerting control over the final crystalline form of polymorphic material is essential, since it can have enormous economic and practical consequences for industrial applications. This requires to be able to access the structure of the material at an atomic level, and understand in which conditions a specific solid form of a molecule crystallizes. To tackle these challenges, I use hyperpolarized solid-state Nuclear Magnetic Resonance (NMR).
A first axis of my research aims to design and produce new analytical tools for de novo structural elucidation of polymorphic functional organic materials existing as powders at natural isotopic abundance (NA). To do this, I work on the development of new experimental approaches in hyperpolarized crystallographic NMR (here, using Nuclear Dynamic Polarization, or DNP) which, combined with computational methods, give access to the structure of powdered organic solids at NA.
In order to better understand polymorphism and be able to control the formation of a specific polymorph, a second axis of my research focusses on exploring new strategies to study the crystallization process via DNP NMR, so as to gain new insights into the fundamental mechanisms leading to the formation of a polymorph, notably by accessing the early stages of crystallization.
Nuclear magnetic resonance, dynamic nuclear polarization, solid-state NMR, DNP, powder, polymorphism, crystallization, structure, NMR crystallography, dipolar coupling, active pharmaceutical ingredients, API
Publons : G2525-2011
ORCID : 0000-0002-6896-2447