id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-030409-bwxkxvsl	Mamontov, Eugene	Effect of Hydration on the Molecular Dynamics of Hydroxychloroquine Sulfate	2020-08-10		.txt	text/plain	6127	275	49	When hydration, even at a low level, results in a disordered structure, as opposed to the highly ordered structure of dry hydroxychloroquine sulfate, the activation barriers for the rotation of methyl groups in the drug molecules become randomized and, on average, significantly reduced. The free base HCQ and more ordered hydrated HCQS also show the methyl rotation peak at the same position, in agreement with their similar activation energies (for the broad dynamic component) presented in Figure 7 . This suggests that the effect of hydration on the activation energy for the methyl group rotation may be due to the disorder introduced by the water molecules in the main hydrated and less ordered hydrated HCQS samples. While the upper panels of Figures 10 and 11 show the measured spectra, the lower panels present a comparison of the difference spectra between the main hydrated and dry HCQS samples to the spectra of H 2 O ice-Ih (5 K) and liquid water (295 K) as well as the structural H 2 O in WO 3 ·H 2 O data.	./cache/cord-030409-bwxkxvsl.txt	./txt/cord-030409-bwxkxvsl.txt