Density functional theory studies on a designed photoactive {FeNO} 6 nitrosyl and the corresponding photoinactive {FeNO}7 species: Insight into the origin of NO photolability

Inorganica Chimica Acta

Volumn 367, Issue 1, 2011, Pages 194-198

  Fry, Nicole L ^a   Zhao, Xiao P ^a   Mascharak, Pradip K ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

DFT; Iron nitrosyls; NO photolability; Photoactive; TDDFT

Indexed keywords

DENSITY FUNCTIONAL THEORY; LIGHT; MOLECULAR ORBITALS;

DENSITY FUNCTIONAL THEORY STUDIES; ENERGY TRANSITIONS; IRON CENTERS; OXIDATION STATE; PHOTOACTIVE; TDDFT; TIME-DEPENDENT DFT; VISIBLE LIGHT;

IRON COMPOUNDS;

EID: 79551683472     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ica.2010.12.041     Document Type: Article

References (57)

1. L.J. Ignarro Nitric Oxide: Biology and Pathobiology 2000 Academic Press San Diego
2. S. Kalsner, Nitric Oxide Free Radicals in Peripheral Neurotransmission 2000 Birkhauser Boston
3. G.Y. Ko, and F.C. Fang Nitric Oxide and Infection 1999 Kluwer Academic/Plenum Publishers New York
4. S. Mocellin, V. Bronte, and D. Nitti Med. Res. Rev. 27 2007 317
5. P.C. Ford, and I.M. Lorkovic Chem. Rev. 102 2002 993
6. M. Hoshino, L.E. Laverman, and P.C. Ford Coord. Chem. Rev. 187 1999 75
7. C.E. Cooper Biochim. Biophys. Acta 1411 1999 290
8. M.D. Wolfe, J.V. Parales, D.T. Gibson, and D.J. Lipscomb J. Biol. Chem. 276 2001 1945
9. A.M. Orville, and D.J. Lipscomb J. Biol. Chem. 268 1993 8596
10. H. Twilfer, F.H. Bernhardt, and K. Gersonde Eur. J. Biochem. 147 1985 171
11. T.L. Poulos Curr. Opin. Struct. Biol. 16 2006 736
12. H. Li, and T.L. Poulos J. Inorg. Biochem. 99 2005 293
13. M. Kobayashi, and S. Shimizu Curr. Opin. Chem. Biol. 4 2000 95
14. I. Endo, M. Odaka, and M. Yohda Trends Biotechnol. 17 1999 244
15. T.C. Harrop, and P.K. Mascharak Acc. Chem. Res. 37 2004 253
16. J. Kovacs Chem. Rev. 104 2004 825
17. P.K. Mascharak Coord. Chem. Rev. 225 2002 201
18. I. Endo, M. Nojiri, M. Tsujimura, M. Nakasako, S. Nagashima, M. Yohda, and M. Odaka J. Inorg. Biochem. 83 2001 247
19. M.J. Rose, N.M. Betterley, A.G. Oliver, and P.K. Mascharak Inorg. Chem. 49 2010 1854
20. M. Tsujimura, N. Dohmae, M. Odaka, M. Chijimatsu, K. Takio, M. Yohda, M. Hoshino, S. Nagashima, and I. Endo J. Biol. Chem. 272 1997 29454
21. A.R. Butler, and I.L. Megson Chem. Rev. 102 2002 1155
22. J. Bourassa, B. Lee, S. Bernard, J. Schoonover, and P.C. Ford Inorg. Chem. 38 1999 2947
23. P.C. Ford, J. Bourassa, K. Miranda, B. Lee, I. Lorkovic, S. Boggs, S. Kudo, and L. Laverman Coord. Chem. Rev. 171 1998 185
24. T. Schneppensieper, A. Wanat, G. Stochel, S. Goldstein, D. Meyerstein, and R. van Eldik Eur. J. Inorg. Chem. 9 2001 2318
25. A.K. Patra, M.J. Rose, M.M. Olmstead, and P.K. Mascharak J. Am. Chem. Soc. 126 2004 4780
26. J.H. Enemerk, and R.D. Feltham Coord. Chem. Rev. 13 1974 339
27. A.K. Patra, J.M. Rowland, D.S. Marlin, E. Bill, M.M. Olmstead, and P.K. Mascharak Inorg. Chem. 42 2003 6812
28. F. Neese orca an ab initio, density functional and semiempirical program package, Version 2.7 2006 Institute for physical and theoretical chemistry Bonn, Germany
29. J.P. Perdew, and Y. Wang Phys. Rev. B 45 1992 13244
30. F. Weigend, and R. Ahlrichs Phys. Chem. Chem. Phys. 7 2005 3297
31. J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, and C. Fiolhais Phys. Rev. B 46 1992 6671
32. P.M. Panchmatia, B. Sanyal, and P.M. Oppeneer Chem. Phys. 343 2008 47
33. G.S.M. Tong, E.L.M. Wong, and C.-M. Che Chem. Eur. J. 14 2008 5495
34. J. Conradie, D.A. Quarless Jr., H.-F. Hsu, T.C. Harrop, S.J. Lippard, S.A. Koch, and A. Ghosh J. Am. Chem. Soc. 129 2007 10446
35. W.G. Han, T.Q. Liu, T. Lovell, and L. Noodleman J. Comput. Chem. 27 2006 1292
36. L.M.L. Daku, A. Vargas, A. Hauser, A. Fouqueau, and M.E. Casida Chem. Phys. Chem. 6 2005 393
37. J. Conradie, and A. Ghosh J. Phys. Chem. B 111 2007 12621
38. S. Sinnecker, A. Rajendran, A. Klamt, M. Diedenhofen, and F. Neese J. Phys. Chem. A 110 2006 2235
39. A.R. Allouche, Gabedit is a free Graphical User Interface for Computational Chemistry Packages, It is available from http://gabedit. sourceforge.net/.
40. V.K.K. Praneeth, F. Paulat, T.C. Berto, S.D. George, C. Näther, C.D. Sulok, and N. Lehnert J. Am. Chem. Soc. 130 2008 15288
41. I.V. Novozhilova, P. Coppens, J. Lee, G.B. Richter-Addo, and K.A. Bagley J. Am. Chem. Soc. 128 2006 2093
42. A. Ghosh Acc. Chem. Res. 38 2005 943
43. B.M. Leu, M.Z. Zgierski, G.R.A. Wyllie, W.R. Scheidt, W. Sturhahn, E.E. Alp, S.M. Durbin, and J.T. Sage J. Am. Chem. Soc. 126 2004 4211
44. J. Conradie, K.H. Hopmann, and A. Ghosh J. Phys. Chem. B 114 2010 8517
45. G. Schenk, M.Y.M. Pau, and E.I. Solomon J. Am. Chem. Soc. 126 2004 505
46. T.A. Jackson, E. Yikilmaz, A. Miller, and T.C. Brunold J. Am. Chem. Soc. 125 2003 8348
47. S.N. Greene, and N.G.J. Richards Inorg. Chem. 43 2004 7030
48. C. Hauser, T. Glaser, E. Bill, T. Weyhermuller, and K. Wieghardt J. Am. Chem. Soc. 22 2000 4352
49. I. Mayer Int. J. Quant. Chem. 26 1984 151
50. A.K. Patra, R.K. Afshar, M.M. Olmstead, and P.K. Mascharak Angew. Chem., Int. Ed. 41 2002 2512
51. A.A. Eroy-Reveles, and P.K. Mascharak Future Med. Chem. 1 2009 1497
52. M.J. Rose, and P.K. Mascharak Curr. Opin. Chem. Biol. 12 2008 238
53. M.J. Rose, and P.K. Mascharak Coord. Chem. Rev. 252 2008 2093
54. D.E.J.G. Dolmans, D. Fukumura, and R.K. Jain Nat. Rev. Cancer 3 2003 380
55. R. Ackroyd, C. Keity, N. Brown, and M. Reed Photochem. Photobiol. 74 2001 656
56. C.Q. Li, and G.N. Wogan Cancer Lett. 226 2005 1
57. B. Brune Cell Death Differentiation 10 2003 864