APPROACH TO THE CONFORMATIONAL BEHAVIOR OF TETRAAZAMACROCYCLES IN THE SOLUTION-STATE - NMR AND MOLECULAR MODELING STUDIES

被引：2
|
作者：
BOETZEL, R
FAILLA, S
FINOCCHIARO, P
HAGELE, G
机构：
[1] UNIV DUSSELDORF,INST ANORGAN CHEM & STRUKTURCHEM 1,D-40225 DUSSELDORF,GERMANY
[2] UNIV CATANIA,FAC INGN,IST CHIM,I-95125 CATANIA,ITALY
来源：
MAGNETIC RESONANCE IN CHEMISTRY | 1995年 / 33卷 / 02期
关键词：
MACROCYCLES NMR; H-1; NMR; C-13; MOLECULAR MODELING; CONFORMATION;
D O I：
10.1002/mrc.1260330208
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The differences in complexation behaviour of two diastereomeric tetraazamacrocycles, meso (1) and racemic (2) 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane, are explained by different conformations in solution, 1 being one stable conformer of almost rigid structure while 2 shows higher conformational flexibility to avoid steric strain, The methods used were H-1 and C-13 NMR and molecular modelling.
引用
收藏
页码：128 / 133
页数：6
相关论文
共 50 条
  • [11] Conformational pseudopolymorphism and solid-state CPMAS NMR studies for determination of solvent-dependent solution-state conformational preferences for (-)-scopolamine hydrobromide/hydrochloride salts
    Glaser, R
    Shiftan, D
    Drouin, M
    JOURNAL OF ORGANIC CHEMISTRY, 1999, 64 (25): : 9217 - 9224
  • [12] Labelling approaches for protein structural studies by solution-state and solid-state NMR
    Lian, LY
    Middleton, DA
    PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY, 2001, 39 (03) : 171 - 190
  • [13] Solid-state deuterium NMR and molecular modeling studies of conformational dynamics in carbohydrates
    Stevensson, B
    Höög, C
    Ulfstedt-Jäkel, K
    Huang, Z
    Widmalm, G
    Maliniak, A
    JOURNAL OF PHYSICAL CHEMISTRY B, 2000, 104 (25): : 6065 - 6070
  • [14] Solution-state NMR studies of thioflavin T bound to the surface of amyloid fibrils
    Robbins, Kevin J.
    Liu, Gai
    Selmani, Veli
    Lazo, Noel D.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 245
  • [15] Analysis of Molecular Interaction of Drugs within β-Cyclodextrin Cavity by Solution-State NMR Relaxation
    Kumar, Deepak
    Krishnan, Yogeshwaran
    Paranjothy, Manikandan
    Pal, Samanwita
    JOURNAL OF PHYSICAL CHEMISTRY B, 2017, 121 (13): : 2864 - 2872
  • [16] Observations of quantum dynamics by solution-state NMR spectroscopy
    Pravia, M
    Fortunato, E
    Weinstein, Y
    Price, MD
    Teklemariam, G
    Nelson, RJ
    Sharf, Y
    Somaroo, S
    Tseng, CH
    Havel, TF
    Cory, DG
    CONCEPTS IN MAGNETIC RESONANCE, 1999, 11 (04): : 225 - 238
  • [17] Heteronuclear solution-state NMR studies of the chromophore in cyanobacterial phytochrome Cph1
    Strauss, HM
    Hughes, J
    Schmieder, P
    BIOCHEMISTRY, 2005, 44 (23) : 8244 - 8250
  • [18] Conformational preferences in diglycosyl disulfides: NMR and molecular modeling studies
    Feher, Krisztina
    Matthews, Richard P.
    Koever, Katalin E.
    Naidoo, Kevin J.
    Szilagyi, Laszlo
    CARBOHYDRATE RESEARCH, 2011, 346 (16) : 2612 - 2621
  • [19] Conformational study of fosinopril sodium in solution using NMR and molecular modeling
    Liu, SB
    Shi, YH
    Zhang, QW
    Song, GQ
    MAGNETIC RESONANCE IN CHEMISTRY, 2003, 41 (08) : 609 - 614
  • [20] Backbone assignments and conformational dynamics in the S. typhimurium tryptophan synthase α-subunit from solution-state NMR
    Varun V. Sakhrani
    Eduardo Hilario
    Bethany G. Caulkins
    Mary E. Hatcher-Skeers
    Li Fan
    Michael F. Dunn
    Leonard J. Mueller
    Journal of Biomolecular NMR, 2020, 74 : 341 - 354
12345