João G. de Oliveira Neto

Crystallographic and Spectroscopic Evidence of High-Pressure Phase Transition of l -Histidine Methyl Ester Dihydrochloride

Abstract We investigate the dependence of the structural and vibrational properties of l-histidine methyl ester dihydrochloride (LHMED) on high-pressure conditions in the range of 0.0–8.2 GPa. Combining single-crystal X-ray diffraction (SCXRD) and Raman spectroscopy, we found a r...

Mapping the IntermolecularInteraction Landscape ina New Nicotinamide–Undecanoic Acid Cocrystal: SupramolecularStructure, Spectroscopic Analyses, and Computational Studies

Abstract A novel cocrystal composed of nicotinamide (NA) and undecanoic acid (UA) in a 1:1 stoichiometry has been successfully synthesized via slow evaporation and comprehensively characterized through a multidisciplinary approach combining experimental and computational methods....