A. A. Mololina, V. V. Sobornova, M. A. Krestyaninov, K. V. Belov, I. A. Khodov
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引用次数: 0
Abstract
In this study, we conducted a comprehensive spectral analysis of the spatial structure of the anticancer drug compound bicalutamide, marketed under the trade name Casodex®, using a combination of one- and two-dimensional NMR spectroscopy methods in a deuterated dimethyl sulfoxide environment. The data from selective nuclear Overhauser effect experiments and quantum chemical calculations, performed within the framework of density functional theory, allowed us to quantitatively assess the conformer group fractions of the compound in deuterated dimethyl sulfoxide.
期刊介绍：
Russian Journal of Physical Chemistry A. Focus on Chemistry (Zhurnal Fizicheskoi Khimii), founded in 1930, offers a comprehensive review of theoretical and experimental research from the Russian Academy of Sciences, leading research and academic centers from Russia and from all over the world.
Articles are devoted to chemical thermodynamics and thermochemistry, biophysical chemistry, photochemistry and magnetochemistry, materials structure, quantum chemistry, physical chemistry of nanomaterials and solutions, surface phenomena and adsorption, and methods and techniques of physicochemical studies.
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