Conformational Analysis of Poly(ethylene imine) and Its Model Compounds:  Rotational and Inversional Isomerizations and Intramolecular and Intermolecular Hydrogen Bonds

2004 ◽  
Vol 37 (24) ◽  
pp. 9169-9183 ◽  
Author(s):  
Yuji Sasanuma ◽  
Satoshi Hattori ◽  
Shinichi Imazu ◽  
Satoshi Ikeda ◽  
Tomoyoshi Kaizuka ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Conformational Analysis ◽  
Model Compounds ◽  
Ethylene Imine ◽  
Intermolecular Hydrogen Bonds ◽  
Poly Ethylene

Inhibitors of endo-α-mannosidase. Part II. 1-Deoxy-3-O-(α-D-glucopyranosyl)-mannojirimycin and congeners modified in the mannojirimycin unit

1993 ◽  
Vol 71 (11) ◽  
pp. 1928-1942 ◽  
Author(s):  
Ulrike Spohr ◽  
Mimi Bach ◽  
Robert G. Spiro
Keyword(s):  
Hydrogen Bonds ◽  
Conformational Analysis ◽  
Chemical Shifts ◽  
Hydroxyl Groups ◽  
Enzyme Complex ◽  
Chemical Modifications ◽  
Intermolecular Hydrogen Bonds ◽  
Glycoprotein Processing ◽  
Nuclear Overhauser ◽  
Reported Data

The syntheses of 1-deoxy-3-O-(α-D-glucopyranosyl)-mannojirimycin (9) and its 2-deoxy, 2-O-methyl, 4-deoxy, 4-O-methyl, 6-deoxy, 6-O-methyl, N-methyl, and N-propyl congeners are described. Since 9 was previously shown to effectively inhibit endo-α-D-mannosidase, a glycoprotein-processing hydrolase, these chemical modifications were designed to assist in the assessment of intermolecular hydrogen bonds of the inhibitor–enzyme complex. The previously reported data require that all hydroxyl groups of the deoxymannojirimycin unit of 9, namely, OH-2, OH-4, OH-6, and also the NH-5 group, interact with charged and polar groupings of the enzyme, since deoxygenations and alkylations abolished or significantly reduced activities. Conformational analysis of 9 and some of its congeners based on NMR chemical shifts, experimental and theoretical nuclear Overhauser enhancements, and HSEA calculations were performed. The chemical modifications of the glucose unit of 9 are described in the accompanying paper.

scholarly journals 1H-NMR as a Structural and Analytical Tool of Intra- and Intermolecular Hydrogen Bonds of Phenol-Containing Natural Products and Model Compounds

Molecules ◽  
2014 ◽  
Vol 19 (9) ◽  
pp. 13643-13682 ◽  
Author(s):  
Pantelis Charisiadis ◽  
Vassiliki Kontogianni ◽  
Constantinos Tsiafoulis ◽  
Andreas Tzakos ◽  
Michael Siskos ◽  
...  
Keyword(s):  
Natural Products ◽  
Hydrogen Bonds ◽  
1H Nmr ◽  
Analytical Tool ◽  
Model Compounds ◽  
Intermolecular Hydrogen Bonds

A Crystallographic Study of Bis[S-benzyl-5-bromo-2-oxoindolin-3-ylidenemethanehydrazonthioate] Disulfide Solvated with Dimethylsulfoxide

2012 ◽  
Vol 9 (2) ◽  
pp. 87
Author(s):  
Mohd Abdul Fatah Abdul Manan ◽  
M. Ibrahim M. Tahir ◽  
Karen A. Crouse ◽  
Fiona N.-F. How ◽  
David J. Watkin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Solvent Molecule ◽  
Site Occupancy ◽  
Unit Cell Parameters ◽  
Intermolecular Hydrogen Bonds ◽  
Triclinic Space Group ◽  
Cell Parameters ◽  
Crystallographic Study ◽  
Thiol Form

The crystal structure of the title compound has been determined. The compound crystallized in the triclinic space group P -1, Z = 2, V = 1839 .42( 18) A3 and unit cell parameters a= 11. 0460( 6) A, b = 13 .3180(7) A, c=13. 7321 (8) A, a = 80.659(3 )0, b = 69 .800(3 )0 and g = 77 .007 (2)0 with one disordered dimethylsulfoxide solvent molecule with the sulfur and oxygen atoms are distributed over two sites; S101/S102 [site occupancy factors: 0.6035/0.3965] and 0130/0131 [site occupancy factor 0.3965/0.6035]. The C22-S2 l and C 19-S20 bond distances of 1. 779(7) A and 1. 788(8) A indicate that both of the molecules are connected by the disulfide bond [S20-S21 2.055(2) A] in its thiol form. The crystal structure reveals that both of the 5-bromoisatin moieties are trans with respect to the [S21-S20 and CI 9-Nl 8] and [S20-S21 and C22-N23] bonds whereas the benzyl group from the dithiocarbazate are in the cis configuration with respect to [S21-S20 and C19-S44] and [S20-S21 and C22-S36] bonds. The crystal structure is further stabilized by intermolecular hydrogen bonds of N9-H35···O16 formed between the two molecules and N28-H281 ···O130, N28-H281 ···O131 and C4 l-H4 l l ···O 131 with the solvent molecule.

scholarly journals Organotin(IV) selenate derivatives – Crystal structure of [{(Ph3Sn)2SeO4} ⋅ CH3OH] n

2021 ◽  
Vol 44 (1) ◽  
pp. 213-217
Author(s):  
Waly Diallo ◽  
Hélène Cattey ◽  
Laurent Plasseraud
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Point Of View ◽  
Intermolecular Hydrogen Bonds

Abstract Crystallization of [(Ph3Sn)2SeO4] ⋅ 1.5H2O in methanol leads to the formation of [{(Ph3Sn)2SeO4} ⋅ CH3OH] n (1) which constitutes a new specimen of organotin(IV) selenate derivatives. In the solid state, complex 1 is arranged in polymeric zig-zag chains, composed of alternating Ph3Sn and SeO4 groups. In addition, pendant Ph3Sn ⋅ CH3OH moieties are branched along chains according to a syndiotactic organization and via Sn-O-Se connections. From a supramolecular point of view, intermolecular hydrogen bonds established between the selenate groups (uncoordinated oxygen) and the hydroxyl functions (CH3OH) of the pendant groups link the chains together.

scholarly journals Two enantiomeric perovskite ferroelectrics with a high Tc raised by inserting intermolecular hydrogen bonds

APL Materials ◽  
2021 ◽  
Vol 9 (3) ◽  
pp. 031102
Author(s):  
Hui Ye ◽  
Wang-Hua Hu ◽  
Wei-Jian Xu ◽  
Ying Zeng ◽  
Xiao-Xian Chen ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Intermolecular Hydrogen Bonds ◽  
High Tc

Linear Poly(ethylene imine)-Based Hydrogels for Effective Binding and Release of DNA

2014 ◽  
Vol 15 (4) ◽  
pp. 1124-1131 ◽  
Author(s):  
Christoph Englert ◽  
Lutz Tauhardt ◽  
Matthias Hartlieb ◽  
Kristian Kempe ◽  
Michael Gottschaldt ◽  
...  
Keyword(s):  
Ethylene Imine ◽  
Linear Poly ◽  
Poly Ethylene
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