NMR Studies of Protonation and Hydrogen Bond States of Internal Aldimines of Pyridoxal 5′-Phosphate Acid–Base in Alanine Racemase, Aspartate Aminotransferase, and Poly-l-lysine

2013 ◽  
Vol 135 (48) ◽  
pp. 18160-18175 ◽  
Author(s):  
Monique Chan-Huot ◽  
Alexandra Dos ◽  
Reinhard Zander ◽  
Shasad Sharif ◽  
Peter M. Tolstoy ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Aspartate Aminotransferase ◽  
Alanine Racemase ◽  
Acid Base ◽  
Nmr Studies

Solvation and redox properties of [Co(en)3]3+-[Co(en)3]2+ system

1980 ◽  
Vol 45 (2) ◽  
pp. 335-338 ◽  
Author(s):  
Adéla Kotočová ◽  
Ulrich Mayer
Keyword(s):  
Hydrogen Bond ◽  
Lewis Acid ◽  
Specific Interaction ◽  
Redox Properties ◽  
Solvation Effect ◽  
Interacting Particles ◽  
Acid Base ◽  
Polar Solvents ◽  
Oxidation Reduction ◽  
Solvent Molecules

The solvation effect of a number of nonaqueous polar solvents was studied on the oxidation-reduction properties of the [Co(en)3]3+-[Co(en)3]2+ system. Interactions of these ions with the solvent molecules are discussed in terms of their coordination, which is accompanied by a specific interaction of the Lewis acid-base type, namely formation of a hydrogen bond between the interacting particles. This is the main controlling factor of the redox properties of the studied system.

A structural study of (1RS,2SR,3RS,4SR,5RS)-2,4-dibenzoyl-1,3,5-triphenylcyclohexan-1-ol chloroform hemisolvate and (1RS,2SR,3RS,4SR,5RS)-2,4-dibenzoyl-1-phenyl-3,5-bis(2-methoxyphenyl)cyclohexan-1-ol

2015 ◽  
Vol 71 (6) ◽  
pp. 491-498 ◽  
Author(s):  
Mikhail E. Minyaev ◽  
Dmitrii M. Roitershtein ◽  
Ilya E. Nifant'ev ◽  
Ivan V. Ananyev ◽  
Tatyana V. Minyaeva ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Single Crystals ◽  
Structural Study ◽  
Chair Conformation ◽  
Cyclohexane Ring ◽  
Nmr Studies ◽  
Acta Cryst

(1RS,2SR,3RS,4SR,5RS)-2,4-Dibenzoyl-1,3,5-triphenylcyclohexan-1-ol or (4-hydroxy-2,4,6-triphenylcyclohexane-1,3-diyl)bis(phenylmethanone), C38H32O3, (1), is formed as a by-product in the NaOH-catalyzed synthesis of 1,3,5-triphenylpentane-1,5-dione from acetophenone and benzaldehyde. Single crystals of the chloroform hemisolvate, C38H32O3·0.5CHCl3, were grown from chloroform. The structure has triclinic (P-1) symmetry. One diastereomer [as a pair of (1RS,2SR,3RS,4SR,5RS)-enantiomers] of (1) has been found in the crystal structure and confirmed by NMR studies. The dichoromethane hemisolvate has been reported previously [Zhanget al.(2007).Acta Cryst.E63, o4652]. (1RS,2SR,3RS,4SR,5RS)-2,4-Dibenzoyl-3,5-bis(2-methoxyphenyl)-1-phenylcyclohexan-1-ol or [4-hydroxy-2,6-bis(2-methoxyphenyl)-4-phenylcyclohexane-1,3-diyl]bis(phenylmethanone), C40H36O5, (2), is also formed as a by-product, under the same conditions, from acetophenone and 2-methoxybenzaldehyde. Crystals of (2) have been grown from chloroform. The structure has orthorhombic (Pca21) symmetry. A diastereomer of (2) possesses the same configuration as (1). In both structures, the cyclohexane ring adopts a chair conformation with all bulky groups (benzoyl, phenyl and 2-methoxyphenyl) in equatorial positions. The molecules of (1) and (2) both display one intramolecular O—H...O hydrogen bond.

The crucial role of the inter-ring hydrogen bond to explain the properties of morin

2018 ◽  
Vol 42 (10) ◽  
pp. 7691-7702 ◽  
Author(s):  
Aurélien Moncomble ◽  
Diksha Jani Thaviligadu ◽  
Anaëlle Raoumbé Djendja ◽  
Jean-Paul Cornard
Keyword(s):  
Hydrogen Bond ◽  
Crucial Role ◽  
Acid Base ◽  
Theoretical Approaches ◽  
Base Properties

The acid-base properties of morin and its complexation with the ZnII cation are investigated by experimental and theoretical approaches.

scholarly journals N-(5′-Phosphopyridoxyl)glutamic acid and N-(5′-phosphopyridoxyl)-2-oxopyrrolidine-5-carboxylic acid and their action on the apoenzyme of aspartate aminotransferase

1971 ◽  
Vol 124 (1) ◽  
pp. 99-106 ◽  
Author(s):  
R M. Khomutov ◽  
H B. F. Dixon ◽  
L V. Vdovina ◽  
M P. Kirpichnikov ◽  
Y V. Morozov ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Carboxylic Acid ◽  
Glutamic Acid ◽  
Aspartate Aminotransferase ◽  
Fluorescence Spectra ◽  
Pyridoxal Phosphate ◽  
Hydroxyl Group ◽  
Side Chain ◽  
Compound I ◽  
Compound Ii

1. N-(5′-Phosphopyridoxyl)-l-glutamic acid (P-Pxy-Glu, compound I) is readily converted at pH3 into a substance (P-Pxy-Glp, compound II) characterized as N-(5′-phosphopyridoxyl)-2-oxopyrrolidine-5-carboxylic acid. 2. The u.v., i.r. and fluorescence spectra of P-Pxy-Glu and P-Pxy-Glp have been determined; from the u.v. spectra their pK values have been found and compared. 3. The apoenzyme of aspartate aminotransferase is rapidly and irreversibly inactivated by P-Pxy-Glu, but is inactivated more slowly by P-Pxy-Glp. The complex with P-Pxy-Glp is stable enough to be isolated, but it is slowly reactivated in the presence of excess of pyridoxal phosphate. 4. The u.v. spectrum of the complex of apoenzyme and P-Pxy-Glp suggests that it contains a hydrogen bond between the phenolic hydroxyl group and the pyrrolidone nitrogen; this specifies the conformation of most of the molecule of P-Pxy-Glp. This conformation is similar to that previously postulated for the enzyme–glutamate complex except for the side chain of glutamate. Hence both the affinity of P-Pxy-Glp for the apoenzyme and the fact that it is more easily removed than P-Pxy-Glu are explicable.

NMR Studies of Solid Pentachlorophenol-4-Methylpyridine Complexes Exhibiting Strong OHN Hydrogen Bonds: Geometric H/D Isotope Effects and Hydrogen Bond Coupling Cause Isotopic Polymorphism

2012 ◽  
Vol 116 (46) ◽  
pp. 11370-11387 ◽  
Author(s):  
Brenda C. K. Ip ◽  
Ilya G. Shenderovich ◽  
Peter M. Tolstoy ◽  
Jaroslaw Frydel ◽  
Gleb S. Denisov ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Isotope Effects ◽  
Nmr Studies

scholarly journals Intramolecular hydrogen bond directed stable conformations of benzoyl phenyl oxalamides: unambiguous evidence from extensive NMR studies and DFT-based computations

RSC Advances ◽  
2018 ◽  
Vol 8 (20) ◽  
pp. 11230-11240 ◽  
Author(s):  
P. Dhanishta ◽  
P. Sai Siva kumar ◽  
Sandeep Kumar Mishra ◽  
N. Suryaprakash
Keyword(s):  
Hydrogen Bond ◽  
Intramolecular Hydrogen Bond ◽  
Nmr Studies ◽  
Intramolecular Hydrogen

Hydrogen bond directed stable conformations of benzoyl phenyl oxalamide derivatives.

scholarly journals Soft X-ray Spectroscopy of the Amine Group: Hydrogen Bond Motifs in Alkylamine/Alkylammonium Acid–Base Pairs

2018 ◽  
Vol 122 (31) ◽  
pp. 7737-7746 ◽  
Author(s):  
Maria Ekimova ◽  
Markus Kubin ◽  
Miguel Ochmann ◽  
Jan Ludwig ◽  
Nils Huse ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Amine Group ◽  
Acid Base ◽  
Base Pairs ◽  
X Ray
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