On ammonia binding to the oxygen-evolving complex of photosystemii: A quantum chemical study

Chemistry - A European Journal

Volumn 20, Issue 24, 2014, Pages 7300-7308

  Schraut, Johannes ^a   Kaupp, Martin ^a  

^a TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

Author keywords

density functional calculations; EPR spectroscopy; manganese; photosystemII; quantum chemistry

Indexed keywords

AMMONIA; BINDING ENERGY; BINDING SITES; CATALYSIS; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; LIGANDS; MANGANESE REMOVAL (WATER TREATMENT); OXYGEN; QUANTUM CHEMISTRY; RADIATION DAMAGE;

EPR SPECTROSCOPY; EXTENDED X-RAY ABSORPTION FINE STRUCTURES; OXYGEN-EVOLVING COMPLEXES; PHOTOSYSTEM-II; QUANTUM CHEMICAL STUDIES; RELATIVE ENERGIES; SUBSTITUTION PATTERNS; SUBSTRATE-BINDING SITES;

MANGANESE;

EID: 84902106691     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201304464     Document Type: Article

References (54)

1. Photosynthesis: Energy from the Sun (Eds.:, J.F. Allen, E. Gantt, J. Golbeck, B. Osmond,), Springer, Dordrecht, 2008.
2. A. F. Collings, C. Critchley, Artificial Photosynthesis: From Basic Biology to Industrial Application, Wiley-VCH, Weinheim, 2005.
3. W. Lubitz, E. J. Reijerse, J. Messinger, J. Energy Environ. Sci. 2008, 1, 15.
4. J. P. McEvoy, G. W. Brudvig, Chem. Rev. 2006, 106, 4455.
5. R. E. Blankenship, Molecular Mechanisms of Photosynthesis, Blackwell, Oxford, 2001.
6. Y. Umena, K. Kawakami, J.-R. Shen, N. Kamiya, Nature 2011, 473, 55.
7. P. E. M. Siegbahn, Chem. Eur. J. 2008, 14, 8290.
8. P. E. M. Siegbahn, Acc. Chem. Res. 2009, 42, 1871.
9. P. E. M. Siegbahn, Biochim. Biophys. Acta 2012, 1827, 1003.
10. P. E. M. Siegbahn, ChemPhysChem 2011, 12, 3274.
11. P. E. M. Siegbahn, J. Am. Chem. Soc. 2013, 135, 9442.
12. D. A. Pantazis, W. Ames, N. Cox, W. Lubitz, F. Neese, Angew. Chem. 2012, 124, 10074
13. Angew. Chem. Int. Ed. 2012, 51, 9935.
14. L. Rapatskiy, N. Cox, A. Savitsky, W. M. Ames, J. Sander, M. M. Nowaczyk, M. Rögner, A. Boussac, F. Neese, J. Messinger, W. Lubitz, J. Am. Chem. Soc. 2012, 134, 16619.
15. G. Hind, C. P. Whittingham, Biochim. Biophys. Acta 1963, 75, 194.
16. S. Izawa, R. L. Heath, G. Hind, Biochim. Biophys. Acta Bioenerg. 1969, 180, 388.
17. B. R. Velthuys, Biochim. Biophys. Acta Bioenerg. 1975, 396, 392.
18. T. Ono, Y. Inoue, Biochim. Biophys. Acta 1988, 264, 82.
19. P. O. Sandusky, C. F. Yocum, Biochim. Biophys. Acta Bioenerg. 1984, 766, 603.
20. P. O. Sandusky, C. F. Yocum, Biochim. Biophys. Acta Bioenerg. 1986, 849, 85.
21. W. F. Beck, J. C. dePaula, G. W. Brudvig, J. Am. Chem. Soc. 1986, 108, 4018.
22. W. F. Beck, G. W. Brudvig, Biochemistry 1986, 25, 6479.
23. R. D. Britt, J. L. Zimmermann, K. Sauer, M. P. Klein, J. Am. Chem. Soc. 1989, 111, 3522.
24. H. Dau, J. C. Andrews, T. A. Roelofs, M. J. Latimer, W. C. Liang, V. K. Yachandra, K. Sauer, M. P. Klein, Biochemistry 1995, 34, 5274.
25. L.-H. Hou, C.-M. Wu, H.-H. Huang, H.-A. Chu, Biochemistry 2011, 50, 9248.
26. M. Tsuno, H. Suzuki, T. Kondo, H. Mino, T. Noguchi, Biochemistry 2011, 50, 2506.
27. D. H. Kim, R. D. Britt, M. P. Klein, K. Sauer, J. Am. Chem. Soc. 1990, 112, 9389.
28. D. H. Kim, R. D. Britt, M. P. Klein, K. Sauer, Biochemistry 1992, 31, 541.
29. W. F. Beck, G. W. Brudvig, Progress in Photosynthesis Research, Vol.1, Martinus Nijhoff, Dordrecht, 1987.
30. N. M. PerezNavarro, W. M. Ames, H. Nilsson, T. Lohmiller, D. A. Pantazis, L. Rapatskiy, M. M. Nowaczyk, F. Neese, A. Boussac, J. Messinger, W. Lubitz, N. Cox, Proc. Natl. Acad. Sci. USA 2013, 110, 15561.
31. R. Ahlrichs, M. Bär, M. Häser, H. Horn, C. Kölmel, Chem. Phys. Lett. 1989, 162, 165.
32. A. D. Becke, Phys. Rev. A 1988, 38, 3098.
33. J. D. Perdew, Phys. Rev. B 1986, 33, 8822.
34. F. Weigend, R. Ahlrichs, Phys. Chem. Chem. Phys. 2005, 7, 3297.
35. F. Weigend, M. Häser, H. Patzelt, R. Ahlrichs, Chem. Phys. Lett. 1998, 294, 143.
36. A. D. Becke, J. Chem. Phys. 1993, 98, 5648.
37. P. J. Stephens, F. J. Devlin, C. F. Chabalowski, M. J. Frisch, J. Phys. Chem. 1994, 98.
38. M. Munzarová, M. Kaupp, J. Phys. Chem. A 1999, 103, 9966.
39. W. Kutzelnigg, U. Fleischer, M. Schindler, NMR Basis Principles and Progress, Vol 23 (Ed.:, P. Diehl,), Springer, Berlin/Heidelberg, 1990.
40. S. Huzinaga, Ph. D. thesis 1971, University of Alberta (Edmonton).
41. S. Schinzel, J. Schraut, A. V. Arbuznikov, P. E. M. Siegbahn, M. Kaupp, Chem. Eur. J. 2010, 16, 10424.
42. J. Schraut, A. V. Arbuznikov, S. Schinzel, M. Kaupp, ChemPhysChem 2011, 12, 3170.
43. D. A. Pantazis, M. Orio, T. Petrenko, S. Zein, E. Bill, W. Lubitz, J. Messinger, F. Neese, Chem. Eur. J. 2009, 15, 5108.
44. D. A. Pantazis, M. Orio, T. Petrenko, S. Zein, W. Lubitz, J. Messinger, F. Neese, Phys. Chem. Chem. Phys. 2009, 11, 6788.
45. N. Cox, J. Messinger, Biochim. Biophys. Acta Bioenerg. 2013, 1827, 1020.
46. N. Cox, D. A. Pantazis, F. Neese, W. Lubitz, Acc. Chem. Res. 2013, 46, 1588.
47. J. Yano, J. Kern, K. Sauer, M. J. Latimer, Y. Pushkar, J. Biesiadka, B. Loll, W. Saenger, J. Messinger, A. Zouni, V. K. Yachandra, Science 2006, 314, 821.
48. M. Retegan, F. Neese, D. A. Pantazis, J. Chem. Theory Comput. 2013, 9, 3832.
49. S. Grimme, J. Antony, S. Ehrlich, H. Krieg, J. Chem. Phys. 2010, 132, 154104.
50. D. Bovi, D. Narzi, L. Guidoni, Angew. Chem. Int. Ed. 2013, 125, 11960.
51. V. Krewald, F. Neese, D. A. Pantazis, J. Am. Chem. Soc. 2013, 135, 5726.
52. W. Ames, D. A. Pantazis, V. Krewald, N. Cox, J. Messinger, W. Lubitz, F. Neese, J. Am. Chem. Soc. 2011, 133, 19743.
53. H. Dau, personal communication to M. Kaupp, 2013.
54. A. Boussac, A. W. Rutherford, S. Styring, Biochemistry 1990, 29, 24.