Solvation State of Nicotinamide in Binary Solvents by 13C NMR Probing at Different Temperatures

被引：0
|
作者：
V. V. Aleksandriiskii
G. A. Gamov
S. V. Dushina
V. A. Sharnin
M. N. Zavalishin
机构：
[1] Ivanovo State University of Chemistry and Technology,Research Institute of Thermodynamics and Kinetics of Chemical Processes
[2] Russian Academy of Science,Institute of Solution Chemistry
来源：
Applied Magnetic Resonance | 2016年 / 47卷
关键词：
Chemical Shift; Nicotinamide; Pyridine Ring; Solvation State; Heterocyclic Nitrogen;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Solvation state of pyridine-3-carboxamide (nicotinamide) was studied by means of different temperature nuclear magnetic resonance spectroscopy at different compositions of water–dimethyl sulfoxide solvent. The breaking of hydrogen bonds between heteronitrogen and water molecules takes place at XDMSO ~ 0.2–0.3 m.f. Changes in carboxamide substituent solvation consisting in the disappearance of water molecules occur at XDMSO ~ 0.4 m.f. The quantum chemical modeling of some nicotinamide solvates was performed along with NBO analysis and chemical shift calculations.
引用
收藏
页码：349 / 359
页数：10
相关论文
共 50 条
  • [31] C-13 NMR OF SOLVATION SHELLS - ALUMINUM CATION IN AQUEOUS ORGANIC-SOLVENTS
    CANET, D
    DELPUECH, JJ
    KHADDAR, MR
    RUBINI, P
    JOURNAL OF MAGNETIC RESONANCE, 1974, 15 (02) : 325 - 338
  • [32] Extensively sparse 13C labeling to simplify solid-state NMR 13C spectra of membrane proteins
    Qiong Tong
    Huan Tan
    Jianping Li
    Huayong Xie
    Yongxiang Zhao
    Yanke Chen
    Jun Yang
    Journal of Biomolecular NMR, 2021, 75 : 245 - 254
  • [33] Probing Pressure Effects on Core Packing of a Repeat Protein using 13C NMR
    Zhang, Siwen
    McCallum, Scott
    Royer, Catherine A.
    BIOPHYSICAL JOURNAL, 2019, 116 (03) : 38A - 38A
  • [34] SOLID STATE 13C NMR STUDY ON THE SYNTHESIS OF GRAPHITE OXIDE FROM DIFFERENT GRAPHITIC PRECURSORS
    Vieira, Mariana A.
    Frasson, Carolina Maria R.
    Costa, Tainara Luiza G.
    Cipriano, Daniel F.
    Schettino, Miguel A., Jr.
    Cunha, Alfredo G.
    Freitas, Jair C. C.
    QUIMICA NOVA, 2017, 40 (10): : 1164 - 1171
  • [35] A 13C solid-state NMR analysis of steroid compounds
    Yang, Jen-Hsien
    Ho, Yu
    Tzou, Der-Lii M.
    MAGNETIC RESONANCE IN CHEMISTRY, 2008, 46 (08) : 718 - 725
  • [36] Solid State 13C NMR Analysis of Brazilian Cretaceous Ambers
    Pereira, Ricardo
    San Gil, Rosane A. S.
    Carvalho, Ismar S.
    Fernandes, Antonio Carlos S.
    Azevedo, Debora A.
    JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY, 2011, 22 (01) : 92 - 97
  • [37] 13C solid-state NMR of Argonne Premium Coals
    Solum, Mark S., 1600, (03):
  • [38] 13C CPMAS NMR investigations of cellulose polymorphs in different pulps
    Sirkka Maunu
    Tiina Liitiä
    Seppo Kauliomäki
    BO HORTLING
    JORMA SUNDQUIST
    Cellulose, 2000, 7 : 147 - 159
  • [39] 13C SOLID STATE NMR OF ALBERTA SUBBITUMINOUS MACERALS.
    Axelson, D.E.
    Parkash, S.
    Fuel Science and Technology International, 1986, 4 (01): : 45 - 85
  • [40] Solid-state 13C NMR study of indomethacin polymorphism
    Masuda, Katsuhiko
    Tabata, Sachio
    Kono, Hiroyuki
    Sakata, Yasuyuki
    Hayase, Tetsuo
    Yonemochi, Etsuo
    Terada, Katsuhide
    INTERNATIONAL JOURNAL OF PHARMACEUTICS, 2006, 318 (1-2) : 146 - 153
12345