WEB Correlating Raman Spectra of Ibuprofen, Nicotinamide and Their DimersSunday (02.08.2020) 14:10 - 14:10 Poster Room Part of:
The Raman spectra can help to better understand the possibility of generation of new phases by showing that the interactions are either of chemical or physical nature. Therefore, it is employed as a quality control tool implemented on hot melt extrusion processing of pharmaceuticals using twin-screw granulator. The hot melt extrusion has been used for continues production of ibuprofen (IBF) and nicotinamide (NCTA) cocrystals due to poor solubility and bioavailability of IBF into body. Addition of NCTA, referred to as coformer, enhance the IBF bioavailability and its treatment efficiency. However, in cocrystallization of IBF and NCTA through hot melt extrusion, an incomplete cocrystal formation of IBF–NCTA is observed, which we showed that is resulted from the formation of IBF and NCTA dimers.
In order to facilitate analysis and processing of data (Raman spectra) obtained through inline Raman instrument installed on twin-screw granulator, we investigated the pattern of dimers Raman spectra and their correlation to the IBF and NCTA. We employed density functional theory calculations in order to determine the Raman spectra of single molecules (IBF, NCTA) and their dimers. We showed that a correlation in the form log〖1/
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