We {provide|offer|supply|give|present|deliver} a proof-of-principle demonstration {of the|from the|in the|on the|with the|of your} {first|initial|very first|1st|initially} dual-spectroscopic {method|technique|approach|strategy|system|process} for direct and real-time observation of mechanochemical reactions by ball milling, supported by high-level molecular and periodic density-functional theory (DFT) calculations, {including|such as|which includes|like} periodic time-dependent (TD-DFT) calculations to model solid-state fluorescence spectra. By combining {standard|regular|normal|common|typical} Raman and fluorescence benchtop spectrometers {in a|inside a|within a} single readily accessible tandem monitoring {technique|method|approach|strategy}, we simultaneously observe {changes|modifications|adjustments|alterations} {to the|towards the|for the} supramolecular structure {during|throughout|in the course of|for the duration of|through} mechanochemical polymorph transformation and cocrystallization {of the|from the|in the|on the|with the|of your} model pharmaceutical {system|method|program|technique} indometacin. The observed time-resolved in situ spectroscopic {data|information} is supported by ex situ X-ray diffraction and solid-state nuclear magnetic resonance spectroscopy measurements. {First|Initial|Very first|1st|Initially} principles calculations facilitate the interpretation of {both|each} real-time spectroscopic and ex situ {data|information} by demonstrating how {changes|modifications|adjustments|alterations} in crystalline {environment|atmosphere} {affect|impact|have an effect on|influence} vibrational and electronic excited states. N-Boc-PEG6-alcohol Price 7-Bromoimidazo[1,2-a]pyridin-2-amine supplier PMID:24381199
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