Conformational analysis of sugar–peptide adducts in the solution state by NMR spectroscopy and molecular modelling

2001 ◽  
pp. 1944-1950
Keyword(s):  
Nmr Spectroscopy ◽  
Conformational Analysis ◽  
Molecular Modelling ◽  
Solution State ◽  
Peptide Adducts

scholarly journals Structure and conformational analysis of spiroketals from 6-O-methyl-9(E)-hydroxyiminoerythronolide A

2015 ◽  
Vol 11 ◽  
pp. 1447-1457 ◽  
Author(s):  
Ana Čikoš ◽  
Irena Ćaleta ◽  
Dinko Žiher ◽  
Mark B Vine ◽  
Ivaylo J Elenkov ◽  
...  
Keyword(s):  
Double Bond ◽  
Nmr Spectroscopy ◽  
Conformational Analysis ◽  
Reaction Kinetics ◽  
Molecular Modelling ◽  
Lactone Ring ◽  
Facile Synthesis ◽  
One Pot ◽  
Unexpected Formation ◽  
Spontaneous Change

Three novel spiroketals were prepared by a one-pot transformation of 6-O-methyl-9(E)-hydroxyiminoerythronolide A. We present the formation of a [4.5]spiroketal moiety within the macrolide lactone ring, but also the unexpected formation of a 10-C=11-C double bond and spontaneous change of stereochemistry at position 8-C. As a result, a thermodynamically stable structure was obtained. The structures of two new diastereomeric, unsaturated spiroketals, their configurations and conformations, were determined by means of NMR spectroscopy and molecular modelling. The reaction kinetics and mechanistic aspects of this transformation are discussed. These rearrangements provide a facile synthesis of novel macrolide scaffolds.

Carbon-dot organic surface modifier analysis by solution-state NMR spectroscopy

2013 ◽  
Vol 15 (7) ◽  
Author(s):  
Aggelos Philippidis ◽  
Apostolos Spyros ◽  
Demetrios Anglos ◽  
Athanasios B. Bourlinos ◽  
Radek Zbořil ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Carbon Dot ◽  
Surface Modifier ◽  
Solution State

Conformational analysis of glutamic acid analogues as probes of glutamate receptors using molecular modelling and NMR methods. Comparison with specific agonists

1997 ◽  
Vol 5 (2) ◽  
pp. 335-352 ◽  
Author(s):  
Nathalie Todeschi ◽  
Josyane Gharbi-Benarous ◽  
Francine Acher ◽  
Valery Laure ◽  
Jean-Philippe Pin ◽  
...  
Keyword(s):  
Conformational Analysis ◽  
Glutamic Acid ◽  
Glutamate Receptors ◽  
Molecular Modelling ◽  
Methods Comparison ◽  
Nmr Methods
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