Density Functional Theory and Density Functional Tight Binding Studies of Thiamine Hydrochloride Hydrates
Ewa Napiórkowska,
Łukasz Szeleszczuk,
Katarzyna Milcarz
et al.
Abstract:Thiamine hydrochloride (THCL), also known as vitamin B1, is an active pharmaceutical ingredient (API), present on the list of essential medicines developed by the WHO, which proves its importance for public health. THCL is highly hygroscopic and can occur in the form of hydrates with varying degrees of hydration, depending on the air humidity. Although experimental characterization of the THCL hydrates has been described in the literature, the questions raised in previously published works suggest that additio… Show more
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