Photophysics of Genistein isoflavone: Solvent and concentration effects studied by UV-visible spectroscopy and theoretical simulation.
Genistein isoflavone is shown to exist in two different conformations which are the 90 degrees completely twisted geometry and the 50 degrees less twisted one. Specific interactions with the solvent cage as well as self-association processes seem shifting the isoflavone from the perpendicular conformation towards the less twisted one. The theoretical simulation, using analytical atom-atom pair potential, predicts a self-dimer in a slipped non-sandwich, face to river, perpendicular structure. From the UV-visible photophysics investigations it is revealed that monomeric species cannot exist alone even at very low solute concentration (approximately 10(-6) M), the self-association process occurs already in this concentration range.
Benthami
K
K
Laboratoire de Spectrométrie, des Matériaux et Archéomatériaux (LASMAR), Université Moulay Ismail, Faculté des Sciences, B.P 11201 Zitoune, Meknès, Morocco.
Lyazidi
S Ait
SA
Haddad
M
M
Choukrad
M
M
Bennetau
B
B
Shinkaruk
S
S
D003198:Computer Simulation; D019281:Dimerization; D019833:Genistein / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure; D048789:Phytoestrogens / Q000737:chemistry*; D012997:Solvents / Q000737:chemistry; D013053:Spectrophotometry; D013056:Spectrophotometry, Ultraviolet
D048789:Phytoestrogens; D012997:Solvents; D019833:Genistein