Patrick Trouillas
TitleCited byYear
A DFT study of the reactivity of OH groups in quercetin and taxifolin antioxidants: the specificity of the 3-OH site
P Trouillas, P Marsal, D Siri, R Lazzaroni, JL Duroux
Food Chemistry 97 (4), 679-688, 2006
2992006
Antioxidant, anti-inflammatory and antiproliferative properties of sixteen water plant extracts used in the Limousin countryside as herbal teas
P Trouillas, CA Calliste, DP Allais, A Simon, A Marfak, C Delage, ...
Food Chemistry 80 (3), 399-407, 2003
2392003
Chalcones: structural requirements for antioxidant, estrogenic and antiproliferative activities.
CA Calliste, JCB Le, P Trouillas, C Pouget, G Habrioux, AJ Chulia, ...
Anticancer research 21 (6A), 3949-3956, 2001
2242001
Mechanism of the antioxidant action of silybin and 2, 3-dehydrosilybin flavonolignans: a joint experimental and theoretical study
P Trouillas, P Marsal, A Svobodová, J Vostalova, R Gažák, J Hrbacˇ, ...
The journal of physical chemistry A 112 (5), 1054-1063, 2008
1622008
Free radical scavenging activities measured by electron spin resonance spectroscopy and B16 cell antiproliferative behaviors of seven plants
CA Calliste, P Trouillas, DP Allais, A Simon, JL Duroux
Journal of Agricultural and Food Chemistry 49 (7), 3321-3327, 2001
1592001
Density functional theory study of the conformational, electronic, and antioxidant properties of natural chalcones
D Kozlowski, P Trouillas, C Calliste, P Marsal, R Lazzaroni, JL Duroux
The Journal of Physical Chemistry A 111 (6), 1138-1145, 2007
1382007
Free radical scavenging by natural polyphenols: atom versus electron transfer
F Di Meo, V Lemaur, J Cornil, R Lazzaroni, JL Duroux, Y Olivier, ...
The Journal of Physical Chemistry A 117 (10), 2082-2092, 2013
1362013
Stabilizing and modulating color by copigmentation: Insights from theory and experiment
P Trouillas, JC Sancho-Garcia, V De Freitas, J Gierschner, M Otyepka, ...
Chemical reviews 116 (9), 4937-4982, 2016
1302016
UV/Visible spectra of natural polyphenols: A time-dependent density functional theory study
J Gierschner, JL Duroux, P Trouillas
Food Chemistry 131 (1), 79-89, 2012
1252012
Castanea sativa Mill. leaves as new sources of natural antioxidant: an electronic spin resonance study
CA Calliste, P Trouillas, DP Allais, JL Duroux
Journal of agricultural and food chemistry 53 (2), 282-288, 2005
1062005
Structure–function relationship for saponin effects on cell cycle arrest and apoptosis in the human 1547 osteosarcoma cells: a molecular modelling approach of natural molecules …
P Trouillas, C Corbière, B Liagre, JL Duroux, JL Beneytout
Bioorganic & medicinal chemistry 13 (4), 1141-1149, 2005
942005
Positioning of antioxidant quercetin and its metabolites in lipid bilayer membranes: implication for their lipid-peroxidation inhibition
P Košinová, K Berka, M Wykes, M Otyepka, P Trouillas
The Journal of Physical Chemistry B 116 (4), 1309-1318, 2012
932012
Ursolic acid triggers calcium-dependent apoptosis in human Daudi cells
F Lauthier, L Taillet, P Trouillas, C Delage, A Simon
Anti-cancer drugs 11 (9), 757-745, 2000
782000
A theoretical study of the conformational behavior and electronic structure of taxifolin correlated with the free radical-scavenging activity
P Trouillas, C Fagnère, R Lazzaroni, C Calliste, A Marfak, JL Duroux
Food chemistry 88 (4), 571-582, 2004
712004
Free radical scavenging properties of guaiacol oligomers: A combined experimental and quantum study of the guaiacyl-moiety role
E Anouar, CA Calliste, P Kosinova, F Di Meo, JL Duroux, Y Champavier, ...
The Journal of Physical Chemistry A 113 (50), 13881-13891, 2009
682009
New aspects of the antioxidant properties of phenolic acids: a combined theoretical and experimental approach
E Anouar, P Košinová, D Kozlowski, R Mokrini, JL Duroux, P Trouillas
Physical chemistry chemical physics 11 (35), 7659-7668, 2009
652009
Highlights on anthocyanin pigmentation and copigmentation: a matter of flavonoid π-stacking complexation to be described by DFT-D
F Di Meo, JC Sancho Garcia, O Dangles, P Trouillas
Journal of Chemical Theory and Computation 8 (6), 2034-2043, 2012
622012
Flavonolignan 2, 3-dehydroderivatives: Preparation, antiradical and cytoprotective activity
M Pyszková, M Biler, D Biedermann, K Valentová, M Kuzma, J Vrba, ...
Free Radical Biology and Medicine 90, 114-125, 2016
542016
Benchmarking of force fields for molecule–membrane interactions
M Paloncýová, G Fabre, RH DeVane, P Trouillas, K Berka, M Otyepka
Journal of chemical theory and computation 10 (9), 4143-4151, 2014
542014
Antioxidant properties of phenolic Schiff bases: structure–activity relationship and mechanism of action
S Raweh, I Bayach, M Taha, MS Baharudin, F Di Meo, MH Hasan, ...
Journal of computer-aided molecular design 27 (11), 951-964, 2013
542013
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