Determination of the Spatial Structure of Lidocaine in SC-CO2 by the 2D NOESY Method

被引：12

作者：

Belov, K., V ^{[1
]}

Dyshin, A. A. ^{[1
]}

Kiselev, M. G. ^{[1
]}

Krestyaninov, M. A. ^{[1
]}

Sobornova, V. V. ^{[1
]}

Khodov, I. A. ^{[1
]}

机构：

[1] Russian Acad Sci, Krestov Inst Solut Chem, Ivanovo, Russia

来源：

RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B | 2021年 / 15卷 / 08期

基金：

俄罗斯基础研究基金会;

关键词：

high pressure NMR; lidocaine; 2D NOESY; small molecules; DFT; spatial structure; CONFORMATIONAL-ANALYSIS; SPIN-DIFFUSION; NMR; CARBAMAZEPINE; DYNAMICS; MOLECULE; SPECTRA;

D O I：

10.1134/S1990793121080145

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

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.

引用

页码：1303 / 1309

页数：7

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