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Sofosbuvir Polymorphs Distinguished by Linearly and Circularly Polarized Raman Microscopy
Analytical Chemistry 96 (48): 18983–18993 (2024)
Most currently marketed pharmaceuticals are manufactured in the solid state, where the bioavailability of the active pharmaceutical ingredient (API) can be optimized through different polymorphs, cocrystals, solvates, or salts. Efficient techniques are needed to monitor the structure of pharmaceuticals during production. Here, we explore the potential of linearly and circularly polarized Raman microscopy for distinguishing three polymorphs of sofosbuvir, an antiviral drug used to treat hepatitis C. Raman spectra were recorded on a Raman microscope for a polycrystalline API diluted in a KBr matrix. To understand spectral features including the low-frequency region, we simulated band frequencies and intensities using quantum-chemical computational strategies based on cluster and transfer approaches. Very good agreement was achieved between simulated and experimental intensities. The 20 to 200 cm–1 wavenumber region appeared particularly useful for polymorph discrimination already based…
Coupled binuclear copper sites in biology: An experimentally-calibrated computational perspective
Coordination Chemistry Reviews 525: 216301 (2025)
Coordination of transporter, cargo, and membrane properties during non-vesicular lipid transport
Communications Biology 7: 1585 (2024)
From boom to bloom: synthesis of diazidodifluoromethane, its stability and applicability in the ‘click’ reaction
Chemical Communications 2024: Early View