In this paper, the molecular dynamics at different thermodynamic conditions of hydrogen-bonded (H-bonded) active pharmaceutical ingredient-ticagrelor (TICA) have been investigated. Extensive high-pressure (HP) dielectric studies revealed surprising high sensitivity of the structural (α)-relaxation to compression. They also showed that unexpectedly the shape of the α-peak remains invariable at various temperature (T) and pressure (p) conditions at constant α-relaxation time.
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
October 2023
In this paper, several experimental techniques, i.e., differential scanning calorimetry, X-ray diffraction, Fourier transform infrared, Raman, and broadband dielectric spectroscopy were applied to study the nature of the phase transitions in 1-adamantylamine (1-NH-ADM, CHN) and 1-adamantanol (1-OH-ADM, CHO).
View Article and Find Full Text PDFIn this study, several experimental techniques were applied to probe thermal properties, molecular dynamics, crystallization kinetics and intermolecular interactions in binary mixtures (BMs) composed of flutamide (FL) and various poly(-vinylpyrrolidone) (PVP) polymers, including a commercial product and, importantly, samples obtained from high-pressure syntheses, which differ in microstructure (defined by the tacticity of the macromolecule) from the commercial PVP. Differential Scanning Calorimetry (DSC) studies revealed a particularly large difference between the glass transition temperature () of FL+PVPsynth. mixtures with 10 and 30 wt% of the excipient.
View Article and Find Full Text PDFIn this paper, thermal properties, atomic-scale structure, and molecular dynamics (at ambient and high pressure) of native melatonin (MLT) and its partially-deuterated derivative (MLT-d) have been investigated. Based on infrared spectroscopy, it was shown that treating MLT with DO causes the replacement of hydrogen atoms attached to the nitrogen by deuterium. The degree of such substitution was very high (> 99%) and the deuterated sample remained stable after exposure to the air as well as during the melting and vitrification processes.
View Article and Find Full Text PDFThis work focuses on improving a camera system for sensing a workspace in which dynamic obstacles need to be detected. The currently available state-of-the-art solution (MoveIt!) processes data in a centralized manner from cameras that have to be registered before the system starts. Our solution enables distributed data processing and dynamic change in the number of sensors at runtime.
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