Molecular Modelling and Natural Polyphenol Compounds

1. P.Trouillas, B.Ratier, A.Moliton, M.Gauneau, P.Bernier, « Doping of C₆₀ films after ion implantation », Philosophical Magazine B, 70, 893 (1994)

2. P.Trouillas, B.Ratier, A.Moliton,« Compensation effects in C₆₀ doped by ion implantation », Radiation Effects and Defects in Solids, 137, 123 (1995)

3. P.Trouillas, A.Moliton, B.Ratier, « Electrical and optical properties of ion implanted C₆₀ », Synthetic Metals, 73, 145 (1995)

4. P.Trouillas, B.Ratier, A.Moliton, J.L.Duroux, « Doping effects induced by potassium ion implantation in solid C₆₀ », Fullerene Science and Technology, 4, 1299 (1996)

5. P.Trouillas, B.Ratier, A.Moliton, K.Pichler, R.H.Friend, « Field-effect studies of C₆₀ thin films before and after implantation with potassium », Synthetic Metals, 81, 259 (1996)

6. P.Trouillas, B.Lucas, R.Antony, A.Moliton, « The crystal transition of C₆₀ implanted with low fluences », Materials, Functionality & Design, Proceedings of the European Conference on Advanced Materials and Processes and Applications, 5th, Maastricht, Neth., Apr. 21-23, 1997  (1997),3  3/471-3/474

7. F.Lauthier, L.Taillet, P.Trouillas, C.Delage, A.Simon, « Ursolic acid triggers calcium-dependent apoptosis in human Daudi cells », Anti-Cancer Drugs, 11, 737-745 (2000)

8. C.Calliste, P.Trouillas, D.P.Allais, A.Simon, J.L.Duroux, « Free radical scavenging measuring by ESR spectroscopy and B16 cells antiproliferative behaviours of 7 plants », Journal of Agricultural Food Chemistry, 49, 3321-3327 (2001)

9. C.Calliste, J.C.LeBail, P.Trouillas, C.Pouget, G.Habrioux, A.J.Chulia, J.L.Duroux, « Chalcones : Structural Requirements for Antioxidant, Estrogenic and Antiproliferative Activities », Anticancer Research, 21, 3949-3956 (2001)

10. P.Trouillas, C.A.Calliste, D.P.Allais, A.Simon, A.Marfak, C.Delage, J.L.Duroux, « Antioxidant, anti-inflammatory and antiproliferative properties of sixteen water plant extracts used in the Limousin countryside as herbal tea », Food Chemistry, 80, 399-407 (2003)

11. A.Marfak, P.Trouillas, D.P.Allais, Y.Champavier, C.A.Calliste, J.L.Duroux, « Radiolysis of quercetin in methanol solution: observation of depside formation », Journal of Agricultural Food Chemistry, 50, 4827-4833 (2002)

12. A.Marfak, P.Trouillas, D.P.Allais, C.A.Calliste, J.L.Duroux, « Redox reactions obtained by g-irradiation of quercetin methanol solution are similar to in vivo metabolism », Radiation Research, 159, 218-227 (2003)

13. A.Marfak, P.Trouillas, D.P.Allais, Y.Champavier, C.A.Calliste, J.L.Duroux, « Kaempferol radiolysis in water/methanol mixtures. Evaluation of antioxidant activity of kaempferol metabolites », Journal of Agricultural Food Chemistry, 51, 1270-1277 (2003)

14. A.Marfak, P.Trouillas, D.P.Allais, C.A.Calliste, Cook-Moreau J., J.L.Duroux, « Transformation mechanism of the antioxydant kaempferol into depsides. γ-Radiolysis study in methanol and in ethanol », Radiation Research, 160, 355-365 (2003)

15. A.Marfak, P.Trouillas, D.P.Allais, C.A.Calliste, J.L.Duroux, « Reactivity of flavonoids with 1-hydroxyethyl radical: a g-radiolysis study », Biophysica Biochimica Acta, 1670, 28-39 (2004)

16.  P.Trouillas, C.Fagnère, R.Lazzaroni, C.A.Calliste, A.Marfak, J.L.Duroux, « A Theoretical Study of the Conformational Behavior and Electronic Structure of Taxifolin Correlated with the Free Radical Scavenging Activity », Food Chemistry, 88, 571-582 (2004)

17- P.Trouillas, C.Corbière, B.Liagre, J.L.Duroux, J.L.Beneytout, 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 structurally close to diosgenin  Bioorganic & Medicinal Chemistry, 2005, 13(4), 1141-1149.

18- C.Calliste, P.Trouillas, D.P.Allais, J.L.Duroux, Castanea Sativa Mill. Leaves as new sources of natural antioxidant: an electron spin resonance study. Journal of Agricultural Food Chemistry, 2005, 53(2), 282-288.

19- P.Trouillas*, P.Marsal, R.Lazzaroni, J.L.Duroux, « A DFT Study of the Reactivity of OH groups in Quercetin and Taxifolin Antioxidants: The Specificity of the 3-OH site », Food Chemistry, 2006, 97(4), 679-688.

20. R.Mokrini, P.Trouillas, M.Kaouadji, Y.Champavier, C.Houée-Lévin, C.Calliste, J.L.Duroux, Radiolytic transformation of 2,2’,4’-trihydroxychalcone Radiation Research. Radiation Research, 2006, 165, 730-740.

21. R.Mokrini, P.Trouillas, M.Kaouadji, Y.Champavier, C.Houée-Lévin, C.Fagnere, J.L.Duroux, Reactivity of chalcones with 1-hydroxymethyl radicals Radiation Research, 2006, 166(6), 928-941.

22. D.Kozlowski, P.Trouillas*, C.Calliste, P.Marsal, R. Lazzaroni, J.L.Duroux, Density Functional Theory Study of the Conformational, Electronic, and Antioxidant Properties of Natural Chalcones Journal of Physical Chemistry A, 2007, 111(6), 1138-1145.

23. D.Kozlowski, P.Marsal, M. Steel, R.Mokrini, J.L.Duroux, R.Lazzaroni, P.Trouillas*, Theoretical investigation of the formation of a new series of antioxidant depsides from the radiolysis of flavonoid compounds Radiation Research, 2007, 168 (2), 243-252.

24. P.Trouillas*, P.Marsal, A.Svobodova, J.Vostalova, R.Gazak, J.Hrbac, V.Kren, R.Lazzaroni, J.L.Duroux, P.Sedmera, D.Petr; D.Walterova, Mechanism of The Antioxidant Action of Silybin and 2,3-Dehydrosilybin Flavonolignans: A Joint Experimental and Theoretical Study Journal of Physical Chemistry A, 2008, 112( 5 ), 1054-1063.

Article quoted in the Merck Index

25. E.Anouar, P.Košinová, D.Kozlowski, R.Mokrini, J.L.Duroux and P.Trouillas*, New aspects of the antioxidant properties of phenolic acids: a combined theoretical and experimental approach Physical Chemistry Chemical Physics, 2009, 11, 7659-7668.

26. C.A.Calliste, D.Kozlowski, J.L.Duroux, Y.Champavier, A.J.Chulia, P.Trouillas*, A New Antioxidant from Nutmeg Food Chemistry, 2010, 118, 489-496.

27. E.Anouar, C.A.Calliste, P.Košinová, F.Di-Meo, J.L.Duroux, Y.Champavier, K.Marakchi and P.Trouillas*, Free radical scavenging properties of Guaiacol oligomers: A combined experimental and quantum study of the guaiacyl-moiety role Journal of Physical Chemistry A, 2009, 113(50), 13881–13891.

28- S.Falkowski, P.Trouillas*, J.L.Duroux, J.M.Bonnetblanc, P.Clavère, Radiodermatitis prevention with sucralfate in breast cancer: fundamental and clinical studies, Supportive Care in Cancer, DOI 10.1007/s00520-009-0788-y

29- P.Košinová,¹ F.Di Meo,¹ E.Anouar, J.L.Duroux, P.Trouillas^*, H-atom acceptor capacity of free radicals used in antioxidant measurements (e.g. DPPH and peroxyradicals ROO. and LOO.), International Journal of Quantum Chemistry, accepted for publication

30- P.Trouillas*, J.Bergès, C.Houée-Levin, Towards understanding the protein oxidation processes:  .OH addition on Tyrosine, Phenylalanine or Methionine, International Journal of Quantum Chemistry, accepted for publication

31- C.ElHamel, A.Thierry, P.Trouillas, F.Bridoux, C.Carrion, N.Quellard, J.M.Goujon, J.C.Aldigier, J.M. M.Cogne, G.Touchard, Crystal-storing histiocytosis and renal Fanconi syndrome: two clinicopathologic variants of a single molecular entity involving crystal-prone monoclonal kappa light chains, accepted for publication

*Corresponding author