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Journal of Physical Chemistry A

Volumn 109, Issue 49, 2005, Pages 11295-11303

Reactivity of metaphosphate and thiometaphosphate in water: A DFT study

(4) Zhang, Lidong a Xie, Daiqian a Xu, Dingguo b Guo, Hua b

a NANJING UNIVERSITY (China)

b UNIVERSITY OF NEW MEXICO (United States)

Author keywords

[No Author keywords available]

Indexed keywords

METAPHOSPHATE; PHOSPHORYL TRANSFER REACTIONS; REACTIVITY; THIOMETAPHOSPHATE;

ACTIVATION ENERGY; FREE ENERGY; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; SOLUTIONS; SUBSTITUTION REACTIONS; WATER;

PHOSPHATES;

EID: 30544438081 PISSN: 10895639 EISSN: None Source Type: Journal
DOI: 10.1021/jp054430t Document Type: Article

Times cited : (14)

References (63)

1
- 0023099216
- Westheimer, F. H. Science 1987, 235, 1173.
- (1987) Science , vol.235 , pp. 1173
- Westheimer, F.H.¹

2
- 0030724727
- Mildvan, A. S. Proteins 1997, 29, 401.
- (1997) Proteins , vol.29 , pp. 401
- Mildvan, A.S.¹

3
- 0001055719
- Oivanen, M.; Kuusela, S.; Lonnberg, H. Chem. Rev. 1998, 98, 961.
- (1998) Chem. Rev. , vol.98 , pp. 961
- Oivanen, M.¹ Kuusela, S.² Lonnberg, H.³

4
- 0001981310
- Mechanisms of phosphoryl transfer
- Candour, R. D., Ed.; Plenum: New York
- Benkovic, S. J.; Schray, K. J. Mechanisms of phosphoryl transfer. In Transition States of Biochemical Processes; Candour, R. D., Ed.; Plenum: New York, 1978.
- (1978) Transition States of Biochemical Processes
- Benkovic, S.J.¹ Schray, K.J.²

5
- 0001323093
- Westheimer, F. H. Chem. Rev. 1981, 81, 313.
- (1981) Chem. Rev. , vol.81 , pp. 313
- Westheimer, F.H.¹

6
- 23044505158
- Thatcher, G. R. J.; Kluger, R. Adv. Phys. Org. Chem. 1989, 25, 99.
- (1989) Adv. Phys. Org. Chem. , vol.25 , pp. 99
- Thatcher, G.R.J.¹ Kluger, R.²

7
- 85086350166
- Cleland, W. W.; Hengge, A. C. FASEB J. 1995, 9, 1586.
- (1995) FASEB J. , vol.9 , pp. 1586
- Cleland, W.W.¹ Hengge, A.C.²

8
- 0036177176
- Hengge, A. C. Acc. Chem. Res. 2002, 35, 105.
- (2002) Acc. Chem. Res. , vol.35 , pp. 105
- Hengge, A.C.¹

9
- 11444262199
- Hengge, A. C.; Onyido, I. Curr. Org. Chem. 2005, 9, 61.
- (2005) Curr. Org. Chem. , vol.9 , pp. 61
- Hengge, A.C.¹ Onyido, I.²

10
- 0018881742
- Knowles, J. R. Annu. Rev. Biochem. 1980, 49, 877.
- (1980) Annu. Rev. Biochem. , vol.49 , pp. 877
- Knowles, J.R.¹

11
- 84858514076
- 2- group
- Sinnot, M., Ed.; Academic Press: San Diego
- 2- group. In Comprehensive Biological Catalysis; Sinnot, M., Ed.; Academic Press: San Diego, 1998; Vol. 1.
- (1998) Comprehensive Biological Catalysis , vol.1
- Hengge, A.C.¹

12
- 4344585269
- Allen, K. N.; Dunaway-Mariano, D. Trends Biochem. Sci. 2004, 29, 495.
- (2004) Trends Biochem. Sci. , vol.29 , pp. 495
- Allen, K.N.¹ Dunaway-Mariano, D.²

13
- 0001059404
- Butcher, W. W.; Westheimer, F. H. J. Am. Chem. Soc. 1955, 77, 2420.
- (1955) J. Am. Chem. Soc. , vol.77 , pp. 2420
- Butcher, W.W.¹ Westheimer, F.H.²

14
- 0029410712
- Admiraal, S. J.; Herschlag, D. Chem. Biol. 1995, 2, 729.
- (1995) Chem. Biol. , vol.2 , pp. 729
- Admiraal, S.J.¹ Herschlag, D.²

15
- 33947333789
- Kirby, A. J.; Varvoglis, A. G. J. Am. Chem. Soc. 1967, 89, 415.
- (1967) J. Am. Chem. Soc. , vol.89 , pp. 415
- Kirby, A.J.¹ Varvoglis, A.G.²

16
- 0142152414
- Grzyska, P. K.; Czyryca, P. G.; Purcell, J.; Hengge, A. C. J. Am. Chem. Soc. 2003, 125, 13106.
- (2003) J. Am. Chem. Soc. , vol.125 , pp. 13106
- Grzyska, P.K.¹ Czyryca, P.G.² Purcell, J.³ Hengge, A.C.⁴

17
- 0031646592
- Florian, J.; Warshel, A. J. Phys. Chem. 1998, B102, 719.
- (1998) J. Phys. Chem. , vol.B102 , pp. 719
- Florian, J.¹ Warshel, A.²

18
- 0032508930
- Florian, J.; Warshel, A. J. Am. Chem. Soc. 1998, 120, 11524.
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 11524
- Florian, J.¹ Warshel, A.²

19
- 0000346433
- Hu, C.-H.; Brinck, T. J. Phys. Chem. 1999, A103, 5379.
- (1999) J. Phys. Chem. , vol.A103 , pp. 5379
- Hu, C.-H.¹ Brinck, T.²

20
- 0142182789
- Wang, Y.-N.; Topol, I. A.; Collins, J. R.; Burt, S. K. J. Am. Chem. Soc. 2003, 125, 13265.
- (2003) J. Am. Chem. Soc. , vol.125 , pp. 13265
- Wang, Y.-N.¹ Topol, I.A.² Collins, J.R.³ Burt, S.K.⁴

21
- 12444255826
- Herschlag, D.; Jencks, W. P. J. Am. Chem. Soc. 1989, 111, 7579.
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 7579
- Herschlag, D.¹ Jencks, W.P.²

22
- 0010913118
- Lightcap, E. S.; Frey, P. A. J. Am. Chem. Soc. 1991, 115, 9415.
- (1991) J. Am. Chem. Soc. , vol.115 , pp. 9415
- Lightcap, E.S.¹ Frey, P.A.²

23
- 33845470133
- Buchwald, S. L.; Friedman, J. M.; Knowles, J. R. J. Am. Chem. Soc. 1984, 106, 4911.
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 4911
- Buchwald, S.L.¹ Friedman, J.M.² Knowles, J.R.³

24
- 0000546527
- Friedman, J. M.; Freeman, S.; Knowles, J. R. J. Am. Chem. Soc. 1988, 110, 1268.
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 1268
- Friedman, J.M.¹ Freeman, S.² Knowles, J.R.³

25
- 0038047671
- Choe, J.-Y.; lancu, C. V.; Fromm, H. J.; Honzatko, R. B. J. Biol. Chem. 2003, 278, 16015.
- (2003) J. Biol. Chem. , vol.278 , pp. 16015
- Choe, J.-Y.¹ Lancu, C.V.² Fromm, H.J.³ Honzatko, R.B.⁴

26
- 0037072290
- Liu, S.; Lu, Z.; Jia, Y.; Dunaway-Mariano, D.; Herzberg, O. Biochemistry 2002, 41, 10270.
- (2002) Biochemistry , vol.41 , pp. 10270
- Liu, S.¹ Lu, Z.² Jia, Y.³ Dunaway-Mariano, D.⁴ Herzberg, O.⁵

27
- 0000911105
- Cullis, P. M.; Iagrossi, A. J. Am. Chem. Soc. 1986, 108, 7870.
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 7870
- Cullis, P.M.¹ Iagrossi, A.²

28
- 37049074100
- Cullis, P. M.; Misra, R.; Wilkins, D. J. J. Chem. Soc. Chem. Commun. 1987, 1594.
- (1987) J. Chem. Soc. Chem. Commun. , pp. 1594
- Cullis, P.M.¹ Misra, R.² Wilkins, D.J.³

29
- 0002148210
- Frey, P. A., Ed.; Elsevier: New York
- Domanico, P.; Mizrahi, V.; Benkovic, S. J. In Mechanisms of Enzymatic Reactions: Stereochemistry; Frey, P. A., Ed.; Elsevier: New York, 1986; p 127.
- (1986) Mechanisms of Enzymatic Reactions: Stereochemistry , pp. 127
- Domanico, P.¹ Mizrahi, V.² Benkovic, S.J.³

30
- 0000689787
- Burgess, J.; Blundell, T. L.; Cullis, P. M.; Hubbard, C. D.; Misra, R. J. Am. Chem. Soc. 1988, 110, 7900.
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 7900
- Burgess, J.¹ Blundell, T.L.² Cullis, P.M.³ Hubbard, C.D.⁴ Misra, R.⁵

31
- 0037532732
- Catrina, I. E.; Hengge, A. C. J. Am. Chem. Soc. 2003, 125, 7546.
- (2003) J. Am. Chem. Soc. , vol.125 , pp. 7546
- Catrina, I.E.¹ Hengge, A.C.²

32
- 0001623292
- Harvan, D. J.; Hass, J. R.; Busch, K. L.; Bursey, M. M.; Ramirez, F.; Meyerson, S. J. Am. Chem. Soc. 1979, 101, 7409.
- (1979) J. Am. Chem. Soc. , vol.101 , pp. 7409
- Harvan, D.J.¹ Hass, J.R.² Busch, K.L.³ Bursey, M.M.⁴ Ramirez, F.⁵ Meyerson, S.⁶

33
- 0000836702
- Henchman, M.; Viggiano, A. A.; Paulson, J. F.; Freedman, A.; Wormhoudt, J. J. Am. Chem. Soc. 1985, 107, 1453.
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 1453
- Henchman, M.¹ Viggiano, A.A.² Paulson, J.F.³ Freedman, A.⁴ Wormhoudt, J.⁵

34
- 0024841753
- Keesee, R. G.; Castleman, A. W., Jr. J. Am. Chem. Soc. 1989, 111, 9015.
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 9015
- Keesee, R.G.¹ Castleman Jr., A.W.²

35
- 0003115316
- Roesky, H. W.; Ahlrichs, R.; Brode, S. Angew. Chim. Int. Ed. 1986, 25, 82.
- (1986) Angew. Chim. Int. Ed. , vol.25 , pp. 82
- Roesky, H.W.¹ Ahlrichs, R.² Brode, S.³

36
- 0001719195
- Breslow, R.; Katz, I. J. Am. Chem. Soc. 1968, 90, 7376.
- (1968) J. Am. Chem. Soc. , vol.90 , pp. 7376
- Breslow, R.¹ Katz, I.²

37
- 0025771210
- Herschlag, D.; Piccirilli, J. A.; Cech, T. R. Biochemistry 1991, 30, 4844.
- (1991) Biochemistry , vol.30 , pp. 4844
- Herschlag, D.¹ Piccirilli, J.A.² Cech, T.R.³

38
- 0029117035
- Hollfelder, F.; Herschlag, D. Biochemistry 1995, 34, 12255.
- (1995) Biochemistry , vol.34 , pp. 12255
- Hollfelder, F.¹ Herschlag, D.²

39
- 0029788628
- Breslow, R.; Chapman, W. H. J. Proc. Natl. Acad. Sci. U.S.A. 1996, 93, 10018.
- (1996) Proc. Natl. Acad. Sci. U.S.A. , vol.93 , pp. 10018
- Breslow, R.¹ Chapman, W.H.J.²

40
- 0033577278
- Catrina, I. E.; Hengge, A. C. J. Am. Chem. Soc. 1999, 121, 2156.
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 2156
- Catrina, I.E.¹ Hengge, A.C.²

41
- 0001085352
- Liang, C.; Allen, L. C. J. Am. Chem. Soc. 1987, 109, 6449.
- (1987) J. Am. Chem. Soc. , vol.109 , pp. 6449
- Liang, C.¹ Allen, L.C.²

42
- 0037547269
- Basch, H.; Krauss, M.; Stevens, W. J. J. Mol. Struct. (THEOCHEM) 1991, 235, 277.
- (1991) J. Mol. Struct. (THEOCHEM) , vol.235 , pp. 277
- Basch, H.¹ Krauss, M.² Stevens, W.J.³

43
- 11544373758
- Zhou, D.-M.; Taira, K. Chem. Rev. 1998, 98, 991.
- (1998) Chem. Rev. , vol.98 , pp. 991
- Zhou, D.-M.¹ Taira, K.²

44
- 0037774586
- Gregersen, B. A.; Lopez, X.; York, D. M. J. Am. Chem. Soc. 2003, 125. 7178.
- (2003) J. Am. Chem. Soc. , vol.125 , pp. 7178
- Gregersen, B.A.¹ Lopez, X.² York, D.M.³

45
- 2942667708
- Gregersen, B. A.; Lopez, X.; York, D. M. J. Am. Chem. Soc. 2004, 126. 7504.
- (2004) J. Am. Chem. Soc. , vol.126 , pp. 7504
- Gregersen, B.A.¹ Lopez, X.² York, D.M.³

46
- 84961974252
- Xu, D.; Guo, H.; Liu, Y.; York, D. M. J. Phys. Chem. 2005, B109, 13827.
- (2005) J. Phys. Chem. , vol.B109 , pp. 13827
- Xu, D.¹ Guo, H.² Liu, Y.³ York, D.M.⁴

47
- 23944441982
- Liu, Y.; York, D. M. Chem. Commun. 2005, 3909.
- (2005) Chem. Commun. , pp. 3909
- Liu, Y.¹ York, D.M.²

48
- 0001460308
- Ma, B.; Xie, Y.; Shen, M.; Schaefer, H. F., III. J. Am. Chem. Soc. 1993, 115, 1943.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 1943
- Ma, B.¹ Xie, Y.² Shen, M.³ Schaefer III, H.F.⁴

49
- 0001683220
- Ma, B.; Xie, Y.; Shen, M.; Schleyer, P. v. R.; Schaefer, H. F., III. J. Am. Chem. Soc. 1993, 115, 11169.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 11169
- Ma, B.¹ Xie, Y.² Shen, M.³ Schleyer, P.V.R.⁴ Schaefer III, H.F.⁵

50
- 0000160977
- Wu, Y.-D.; Houk, K. N. J. Am. Chem. Soc. 1993, 115, 11997.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 11997
- Wu, Y.-D.¹ Houk, K.N.²

51
- 0002769046
- Mercero, J. M.; Barrett, P.; Lam, C. W.; Flower, J. E.; Ugalde, J. M.; Pedersen, L. J. Comput. Chem. 2000, 21, 43.
- (2000) J. Comput. Chem. , vol.21 , pp. 43
- Mercero, J.M.¹ Barrett, P.² Lam, C.W.³ Flower, J.E.⁴ Ugalde, J.M.⁵ Pedersen, L.⁶

52
- 0001673007
- Fraser, R. R.; Kong, F.; Stanciulescu, M.; Wu, Y. D.; Houk, K. N. J. Org. Chem. 1993, 58, 4431.
- (1993) J. Org. Chem. , vol.58 , pp. 4431
- Fraser, R.R.¹ Kong, F.² Stanciulescu, M.³ Wu, Y.D.⁴ Houk, K.N.⁵

53
- 0034701314
- Zhan, C. G.; Landry, D. W.; Ornstein, R. L. J. Am. Chem. Soc. 2000, 122, 2621.
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 2621
- Zhan, C.G.¹ Landry, D.W.² Ornstein, R.L.³

54
- 23144466080
- Xue, Y.; Kim, C. K.; Guo, Y.; Xie, D.; Yan, G. J. Comput. Chem. 2005, 26, 994.
- (2005) J. Comput. Chem. , vol.26 , pp. 994
- Xue, Y.¹ Kim, C.K.² Guo, Y.³ Xie, D.⁴ Yan, G.⁵

55
- 20444442346
- Xie, D.; Zhou, Y.; Xu, D.; Guo, H. Org. Lett. 2005, 7, 2093.
- (2005) Org. Lett. , vol.7 , pp. 2093
- Xie, D.¹ Zhou, Y.² Xu, D.³ Guo, H.⁴

56
- 0000189651
- Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

57
- 0345491105
- Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

58
- 0141704726
- Gaussian, Inc.: Pittsburgh, PA
- Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; T. V.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, Revision A.1; Gaussian, Inc.: Pittsburgh, PA, 2003.
- (2003) Gaussian 03, Revision A.1
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³ Scuseria, G.E.⁴ Robb, M.A.⁵ Cheeseman, J.R.⁶ Montgomery Jr., J.A.⁷ V., T.⁸ Kudin, K.N.⁹ Burant, J.C.¹⁰ Millam, J.M.¹¹ Iyengar, S.S.¹² Tomasi, J.¹³ Barone, V.¹⁴ Mennucci, B.¹⁵ Cossi, M.¹⁶ Scalmani, G.¹⁷ Rega, N.¹⁸ Petersson, G.A.¹⁹ Nakatsuji, H.²⁰ more..

59
- 36549095692
- Gonzalez, C.; Schlegel, H. B. J. Chem. Phys. 1989, 90, 2154.
- (1989) J. Chem. Phys. , vol.90 , pp. 2154
- Gonzalez, C.¹ Schlegel, H.B.²

60
- 33750614386
- Gonzalez, C.; Schlegel, H. B. J. Phys. Chem. 1990, 94, 5523.
- (1990) J. Phys. Chem. , vol.94 , pp. 5523
- Gonzalez, C.¹ Schlegel, H.B.²

61
- 84986513567
- Breneman, C. M.; Wiberg, K. B. J. Comput. Chem. 1990, 11, 361.
- (1990) J. Comput. Chem. , vol.11 , pp. 361
- Breneman, C.M.¹ Wiberg, K.B.²

62
- 84962339888
- Range, K.; McGrath, M. J.; Lopez, X.; York, D. M. J. Am. Chem. Soc. 2004, 126, 1654.
- (2004) J. Am. Chem. Soc. , vol.126 , pp. 1654
- Range, K.¹ McGrath, M.J.² Lopez, X.³ York, D.M.⁴

63
- 11744256643
- Tomasi, J.; Persico, M. Chem. Rev. 1994, 94, 2027.
- (1994) Chem. Rev. , vol.94 , pp. 2027
- Tomasi, J.¹ Persico, M.²

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