Thesis topic proposal
Attila Bényei
Structure determination of polymorphic forms using X-ray diffractionStructure determination of polymorphic forms using X-ray diffraction


Institute: University of Debrecen
Doctoral School of Chemistry

Thesis supervisor: Attila Bényei
Location of studies (in Hungarian): DE Fizikai Kémiai Tanszék Kémia épület D 16
Abbreviation of location of studies: D 16

Description of the research topic:

The same chemical compound can form different solid state structures which phenomena is called polymorphism. Identification of polymorphic forms, their characterization and structure determination is very important in pharma research. The most suitable methods for structure determination are based on X-ray diffraction while for identification thermochemical and spectroscopic studies are applied. If it is possible to grow single crystals of the form, the final proof of the structure is given by single crystal X-ray diffraction study. However, for identification of a polymorph the recommended method is powder diffraction by FDA. In certain cases, even the complete solid state structure could be determined from powder X-ray diffraction data. Our research is focused on structure determination of biologically active molecules, metal complexes and determination of absolute configuration using X-ray diffraction methods. To increase the solubility of drugs we prepare co-crystals, too. The study of structure and polymorphism of co-crystals as well as analysis of these structures using tools of supramolecular chemistry are also part of the research topic.

Required language skills: english
Further requirements: 
Advantage: Computer programing, knowledge of Python or C++ and/or proven experience in X-ray diffraction methods

Number of students who can be accepted: 1

Deadline for application: 2022-01-15

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