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Information × Registration Number 0120U104907, ( 0221U101182  0221U105841  0221U106597  0223U005738  ) R & D request Title Study of polymorphic transitions of molecular crystals for the needs of the pharmaceutical industry. Head Shyshkina Svitlana V., Registration Date 17-11-2020 Organization State Scientific Institution Scientific and Technological Complex" Institute of Single Crystals "of the National Academy of Sciences of Ukraine popup.description1 The production of drugs in hard and soft forms, having certain advantages, faces issues related to the peculiarities of the crystal structure of organic compounds. The most significant problem is the polymorphic transformations of molecular crystals, able to lead to a new crystal form, which has other physicochemical characteristics and exhibits different properties than planned. Such the transformations can occur at certain stages of the technological process associated with the mechanical impact on the crystal form (grinding, compaction, tableting, etc.) and results in changes of product characteristics until the complete loss of expected properties and, consequently, in the reduction of the pharmaceutical products quality. The combination of experimental methods for the study of the mechanical impact or pressure on molecular crystals with quantum chemical studies of particularities of crystal structure and modelling of the possible deformations of the crystal can determine factors that indicate the possibility of changes of the crystal structure. This makes it possible to predict such the undesirable processes, to determine their conditions and to adjust the regulatory characteristics of the technological process to prevent the polymorphic transition. Thus, the aim of the project is the development of a complex approach using experimental and computational methods for the study and prediction of the polymorphic transitions in molecular crystals, that has extreme importance in the practice of the pharmaceutical industry and can become a useful tool for the improvement of the quality of solid and soft forms of drugs. popup.nrat_date 2024-12-10 Close