Formation of the OOH• radical at steps of the boehmite surface and its inhibition by gallic acid: A theoretical study including DFT-based dynamics

Journal of Inorganic Biochemistry

Volumn 128, Issue , 2013, Pages 164-173

  Ribeiro, T ^a   Motta, A ^a,b   Marcus, P ^a   Gaigeot, M P ^c,d   Lopez, X ^e   Costa, D ^a  

^a PSL RESEARCH UNIVERSITY   (France)

^b UNIVERSITY OF CATANIA   (Italy)

^c UNIVERSITÉ D EVRY VAL D ESSONNE   (France)

^d INSTITUT UNIVERSITAIRE DE FRANCE   (France)

^e UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

Author keywords

Al(III) toxicity; Boehmite; DFT; Gallic acid; Self assembled monolayer

Indexed keywords

ALUMINUM OXIDE; GALLIC ACID; OXYGEN RADICAL; REACTIVE OXYGEN METABOLITE; SCAVENGER; WATER; ALUMINUM HYDROXIDE; ALUMINUM OXIDE HYDROXIDE; SOLVENT;

ADSORPTION; ARTICLE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; HYDROGEN BOND; MOLECULAR DYNAMICS; THEORETICAL STUDY; AL(III) TOXICITY; CHEMICAL MODEL; CHEMISTRY; DFT; DRUG ANTAGONISM; SELF-ASSEMBLED MONOLAYER; SURFACE PROPERTY;

AL(III) TOXICITY; BOEHMITE; DFT; GALLIC ACID; SELF-ASSEMBLED MONOLAYER;

ALUMINUM HYDROXIDE; ALUMINUM OXIDE; GALLIC ACID; HYDROGEN BONDING; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; REACTIVE OXYGEN SPECIES; SOLVENTS; SURFACE PROPERTIES; WATER;

EID: 84885955951     PISSN: 01620134     EISSN: 18733344     Source Type: Journal    
DOI: 10.1016/j.jinorgbio.2013.07.024     Document Type: Article

References (88)

1. Erik B. Lindblad Immunol. Cell Biol. 82 2004 497 505
2. Rajesh K. Gupta Adv. Drug Deliv. Rev. 32 1998 155 172
3. Z.C. Li, A.J. Zhang, Z.H. Li, Y.M. Zhu, L.J. Liu, and H.Q. Xiang J. Sol-Gel Sci. Technol. 57 2011 24 30
4. D. Chiche, C. Chaneac, R. Revel, and J.P. Jolivet Phys. Chem. Chem. Phys. 13 2011 6241 6248
5. C.J. Oh, Y.K. Yi, S.J. Kim, T. Tran, and M.J. Kim Powder Technol. 235 2013 556 562
6. Amélie Pailleux Etude in Vitro de la Toxicité de Nanoparticules de Boehmite 2012 Université de Saint Etienne 270
7. M. Pailleux, J. Pourchez, D. Boudard, P. Grosseau, and M. Cottier Bull. du Cancer 98 2011 S66 S67
8. Jürgen Pauluhn Toxicology 259 2009 140 148
9. R.K. Gherardi, M. Coquet, P. Cherin, L. Belec, P. Moretto, P.A. Dreyfus, J.-F. Pellissier, P. Chariot, and F.-J. Authier Brain 124 2001 1821 1831
10. L. Chen, R.A. Yokel, B. Hennig, and M. Toborek J. Neuroimmune Pharmacol. 3 2008 286 295
11. D. Costa, B. Fubini, E. Giamello, and M. Volante Can. J. Chem. Rev. Can. Chim. 69 1991 1427 1434
12. D. Costa, J. Guignard, and H. Pezerat Toxicol. Ind. Heal. 5 1989 1079 1097
13. D. Costa, J. Guignard, R. Zalma, and H. Pezerat Toxicol. Ind. Heal. 5 1989 1061 1078
14. B. Fubini, and A. Hubbard Free Radic. Biol. Med. 34 2003 1507 1516
15. V.K. Sharma J. Environ. Sci. Health. Part A Toxic/Hazard. Subst. Environ. Eng. 44 2009 1485 1495
16. B. Fubini, I. Fenoglio, M. Tomatis, and F. Turci Nanomedicine 6 2011 899 920
17. E. Gazzano, M. Ghiazza, M. Polimeni, V. Bolis, I. Fenoglio, A. Attanasio, G. Mazzucco, B. Fubini, and D. Ghigo Toxicol. Sci. 128 2012 158 170
18. M. Ghiazza, A.M. Scherbart, I. Fenoglio, F. Grendene, F. Turci, G. Martra, C. Albrecht, R.P.F. Schins, and B. Fubini Chem. Res. Toxicol. 24 2011 99 110
19. J. Pourchez, V. Forest, N. Boumahdi, D. Boudard, M. Tomatis, B. Fubini, N. Herlin-Boime, Y. Leconte, B. Guilhot, M. Cottier, and P. Grosseau J. Nanopart. Res. 14 2012
20. F. Turci, M. Colonna, M. Tomatis, S. Mantegna, G. Cravotto, G. Gulino, E. Aldieri, D. Ghigo, and B. Fubini Chem. Res. Toxicol. 25 2012 884 894
21. D.L. Jones, A.M. Prabowo, and L.V. Kochian Plant Soil 182 1996 229 237
22. C. Exley Free Radic. Biol. Med. 36 2004 380 387
23. C. Exley J. Inorg. Biochem. 97 2003 1 7
24. J.I. Mujika, F. Ruiperez, I. Infante, J.M. Ugalde, C. Exley, and X. Lopez J. Phys. Chem. A 115 2011 6717 6723
25. F. Ruiperez, J.J. Mujika, J.M. Ugalde, C. Exley, and X. Lopez J. Inorg. Biochem. 117 2012 118 123
26. Stanley L. Hem, and Harm HogenEsch Expert Rev. Vaccines 6 2007 685 698
27. C. Froidefond Contrôle Morphologique et Dimensionnel de Particules d'(Oxyhydr)Oxyde d'Aluminium UPMC 2002 PHD, Université P. et M. Curie Paris 6 Paris
28. A. Motta, M.P. Gaigeot, and D. Costa J. Phys. Chem. C 116 2012 12514 12524
29. L.O. Ohman, and R.B. Martin Clin. Chem. 40 1994 598 601
30. R.J. Motekaitis, and A.E. Martell Inorg. Chem. 23 1984 18 23
31. A.L.O. de Noronha, L. Guimaraes, and H.A. Duarte J. Chem. Theory Comput. 3 2007 930 937
32. A.J.A. Aquino, D. Tunega, G. Haberhauer, M.H. Gerzabek, and H. Lischka Phys. Chem. Chem. Phys. 3 2001 1979 1985
33. W. Stumm, R. Kummert, and L. Sigg Croat. Chem. Acta 53 1980 291 312
34. Robert Kummert, and Werner Stumm J. Colloid Interface Sci. 75 1980 373 385
35. B. Kasprzyk-Hordern Adv. Colloid Interface Sci. 110 2004 19 48
36. G. Boisier, N. Portail, and N. Pebere Electrochim. Acta 55 2010 6182 6189
37. M.M. Islam, B. Diawara, P. Marcus, and D. Costa Catal. Today 177 2011 39 49
38. A.A. Derakhshan, and L. Rajabi Powder Technol. 226 2012 117 129
39. Ann E. Hagerman, Ken M. Riedl, G. Alexander Jones, Kara N. Sovik, Nicole T. Ritchard, Paul W. Hartzfeld, and Thomas L. Riechel J. Agric. Food Chem. 46 1998 1887 1892
40. Z. Sroka, and W. Cisowski Food Chem. Toxicol. 41 2003 753 758
41. F. Billes, I. Mohammed-Ziegler, and P. Bombicz Vib. Spectrosc. 43 2007 193 202
42. Y. Deligiannakis, G.A. Sotiriou, and S.E. Pratsinis ACS Appl. Mater. Interfaces 4 2012 6609 6617
43. G. Cirillo, S. Hampel, R. Klingeler, F. Puoci, F. Iemma, M. Curcio, O.I. Parisi, U.G. Spizzirri, N. Picci, A. Leonhardt, M. Ritschel, and B. Buchner J. Pharm. Pharmacol. 63 2011 179 188
44. M. O'Coinceanainn, C. Astill, and S. Schumm Dalton Trans. 2003 801 807
45. M. Kurihara, Y. Hamabe, M. Ikeda, H. Shinkawa, and E. Ohyoshi Nippon Kagaku Kaishi 2002 329 332
46. Z.Y. Deng, C. Coudray, L. Gouzoux, A. Mazur, Y. Rayssiguier, and D. Pepin Biol. Trace Elem. Res. 76 2000 245 256
47. D. Fazli, A.A. Malekirad, A.A. Pilevarian, H. Salehi, A. Zerratpishe, K. Rahzani, and M. Abdollahi Int. J. Pharmacol. 8 2012 455 458
48. C. Arrouvel, B. Diawara, D. Costa, and P. Marcus J. Phys. Chem. C 111 2007 18164 18173
49. D. Costa, C. Arrouvel, M. Breysse, H. Toulhoat, and P. Raybaud J. Catal. 246 2007 325 343
50. F. Leydier, C. Chizallet, A. Chaumonnot, M. Digne, E. Soyer, A-A Quoineaud, De Costa, and P Raybaud J. Catal. 284 2011 215 229
51. F. Leydier, C. Chizallet, D. Costa, and P. Raybaud Chem. Commun. 48 2012 4076 4078
52. P. Raybaud, D. Costa, M. Corral Valero, C. Arrouvel, M. Digne, P. Sautet, and H. Toulhoat J. Phys. Condens. Matter 20 2008
53. Francesco Mercuri, Dominique Costa, and Philippe Marcus J. Phys. Chem. C 113 2009 5228 5237
54. Y.K. Zhang, and W.T. Yang Phys. Rev. Lett. 80 1998 890-890
55. G. Kresse J. Non-Cryst. Solids 207 1996 833 840
56. G. Kresse, and J. Furthmuller Phys. Rev. B 54 1996 11169 11186
57. G. Kresse, and D. Joubert Phys. Rev. B 59 1999 1758 1775
58. G.W. Trucks, M.J. Frisch, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, Ö. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, and D.J. Fox Gaussian 09, Revision A.1 2009 Gaussian, Inc. Wallingford CT
59. H.J. Monkhorst, and J.D. Pack Phys. Rev. 13 1976 5188
60. G. Kresse, and J. Furthmüller Phys. Rev. B 54 1996 169
61. K.Y. Yeh, N.A. Restaino, M.R. Esopi, J.K. Maranas, and M.J. Janik Catal. Today 202 2013 20 35
62. H. Valencia, M. Kohyama, S. Tanaka, and H. Matsumoto J. Phys. Chem. C 116 2012 8493 8509
63. C. Di Valentin, and D. Costa J. Phys. Chem. C 116 2012 2819 2828
64. P.A. Garrain, D. Costa, and P. Marcus J. Phys. Chem. C 115 2011 719 727
65. D. Costa, P.A. Garrain, B. Diawara, and P. Marcus Langmuir 27 2011 2747 2760
66. A. Hemeryck, A. Motta, J. Swiatowska, C. Pereira-Nabais, P. Marcus, and D. Costa PCCP 15 2013 10824 10834
67. D. Costa, A. Tougerti, F. Tielens, C. Gervais, L. Stievano, and J.F. Lambert Phys. Chem. Chem. Phys. 10 2008 6360 6368
68. Dominique Costa, Claire Lomenech, Ming Meng, Lorenzo Stievano, and J.F. Lambert J. Mol. Struct. THEOCHEM 806 2007 253 259
69. N. Folliet, C. Gervais, D. Costa, G. Laurent, Florence Babonneau, Lorenzo Stievano, Jean-Francois Lambert, and Frederik Tielens J. Phys. Chem. C 117 2013 4104 4114
70. A. Motta, M.P. Gaigeot, and D. Costa J. Phys. Chem. C 116 2012 23418 23427
71. The CP2K developers group http://cp2k.berlios.de/
72. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 78 1997 1396-1396
73. S. Goedecker, M. Teter, and J. Hutter Phys. Rev. B 54 1996 1703 1710
74. S. Grimme J. Comput. Chem. 27 2006 1787 1799
75. C. Cappelli, B. Mennucci, and S. Monti J. Phys. Chem. A 109 2005 1933 1943
76. M. Leopoldini, T. Marino, N. Russo, and M. Toscano J. Phys. Chem. A 108 2004 4916 4922
77. David J. Anick J. Phys. Chem. A 115 2011 6327 6338
78. C.M. Pradier, V. Humblot, L. Stievano, C. Methivier, and J.F. Lambert Langmuir 23 2007 2463 2471
79. C.M. Pradier, P. Bertrand, M.N. Bellon-Fontaine, C. Compere, D. Costa, P. Marcus, C. Poleunis, B. Rondot, and M.G. Walls Surf. Interface Anal. 30 2000 45 49
80. C.M. Pradier, D. Costa, C. Rubio, C. Compere, and P. Marcus Surf. Interface Anal. 34 2002 50 54
81. J.M. Borah, J. Sarma, and S. Mahiuddin Colloids Surf., A 387 2011 50 56
82. M.R. Das, and S. Mahiuddin Colloids Surf., A 264 2005 90 100
83. K.D. Dobson, and A.J. McQuillan Spectrochim. Acta A Mol. Biomol. Spectrosc. 56 2000 557 565
84. J.E. Thomas, and M.J. Kelley J. Colloid Interface Sci. 322 2008 516 526
85. G.M.S.El Shafei, and C.A. Philip J. Colloid Interface Sci. 185 1997 140 146
86. P. Sabriye, B. Ozkorucuklu, L. Jose, G. Fonrodona, D. Barron, G. Alsancak, and J. Barbosa J. Chem. Eng. Data 54 2009 807 811
87. A. Rimola, D. Costa, M. Sodupe, J.F. Lambert, and P. Ugliengo Chem. Rev. 113 2013 4216 4313
88. M. Sulpizi, M. Salanne, M. Sprik, and M.P. Gaigeot J. Phys. Chem. Lett. 4 2013 83 87.