DFT study of the mechanism of the reaction of aminoguanidine with methylglyoxal

Journal of Molecular Modeling

Volumn 20, Issue 4, 2014, Pages

  Solís Calero, Christian ^a   Ortega Castro, Joaquín ^a   Hernández Laguna, Alfonso ^b   Muñoz, Francisco ^a  

^a UNIVERSITAT DE LES ILLES BALEARS   (Spain)

^b INSTITUTO ANDALUZ DE CIENCIAS DE LA TIERRA   (Spain)

Author keywords

1,2,3 triazines; AGEs; Aminoguanidine; DFT calculations; Methylglyoxal; Phosphatidylethanolamine

Indexed keywords

1,2,4 TRIAZINE DERIVATIVE; AMIDINOHYDRAZONE; AMINOGUANIDINE; METHYLGLYOXAL; PHOSPHATIDYLETHANOLAMINE; SOLVENT; WATER; GUANIDINE DERIVATIVE;

ARTICLE; AUTOOXIDATION; CHEMICAL MODEL; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY; HYDROGEN BOND; MOLECULAR MECHANICS; POLYMERIZATION; PRIORITY JOURNAL; PROTON TRANSPORT; REACTION ANALYSIS; CHEMISTRY; THERMODYNAMICS;

GUANIDINES; HYDROGEN BONDING; MODELS, CHEMICAL; MODELS, MOLECULAR; PYRUVALDEHYDE; THERMODYNAMICS;

EID: 84897347156     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-014-2202-z     Document Type: Article

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