期刊
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B
卷 15, 期 8, 页码 1303-1309出版社
MAIK NAUKA/INTERPERIODICA/SPRINGER
DOI: 10.1134/S1990793121080145
关键词
high pressure NMR; lidocaine; 2D NOESY; small molecules; DFT; spatial structure
资金
- Ministry of Education and Science of the Russian Federation, Russia [01201260481, 0120095082]
- Russian Foundation for Basic Research [18-29-06008, 20-43-370011]
- Council for Grants of the President of the Russian Federation, Russia [MK-662.2021.1.3]
This study analyzed the spatial structure of lidocaine in SC-CO2 using 2D NOESY and DFT methods, identifying the preferable conformers in the solution. The data obtained can be utilized to calculate the optimal micronization parameters by the RESS method.
This work presents an analysis of the lidocaine spatial structure in SC-CO2. Two-dimensional nuclear Overhauser effect spectroscopy (2D NOESY) and quantum chemical calculations (DFT) were used to identify the preferable conformers in an SC-CO2 solution (70 degrees C, 20 MPa). The data obtained in this work can be used to calculate the optimal micronization parameters by the RESS method.
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