-
1
-
-
0000733014
-
-
Ungar, L. W.; Newton, M. D.; Voth, G. A. J. Phys. Chem. B 1999, 103, 7367-7382.
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 7367-7382
-
-
Ungar, L.W.1
Newton, M.D.2
Voth, G.A.3
-
4
-
-
0029650832
-
-
Langen, R.; Chang, I.-J.; Germanas, J. P.; Richards, J. H.; Winkler, J. R.; Gray, H. B. Science 1995, 268, 1733-1735.
-
(1995)
Science
, vol.268
, pp. 1733-1735
-
-
Langen, R.1
Chang, I.-J.2
Germanas, J.P.3
Richards, J.H.4
Winkler, J.R.5
Gray, H.B.6
-
7
-
-
0029632752
-
-
Felts, A. K.; Pollard, T.; Friesner, R. A. J. Phys. Chem. 1995, 99, 2929-2940.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 2929-2940
-
-
Felts, A.K.1
Pollard, T.2
Friesner, R.A.3
-
11
-
-
0004036407
-
-
Prigogine, I., Rice, S. A., Eds.; John Wiley & Sons: New York
-
Jortner, J.; Bixon, M. In Electron Transfer-From Isolated Molecules to Biomolecules; Prigogine, I., Rice, S. A., Eds.; John Wiley & Sons: New York, 1999; Vols. 106 and 107.
-
(1999)
Electron Transfer-From Isolated Molecules to Biomolecules
, vol.106-107
-
-
Jortner, J.1
Bixon, M.2
-
12
-
-
0007758337
-
-
Isied, S. S.; Ogawa, M. Y.; Wishart, J. F. Chem. Rev. 1992, 92, 381-394.
-
(1992)
Chem. Rev.
, vol.92
, pp. 381-394
-
-
Isied, S.S.1
Ogawa, M.Y.2
Wishart, J.F.3
-
13
-
-
0001570165
-
-
Ogawa, M. Y.; Wishart, J. F.; Young, Z.; Miller, J. R.; Isied, S. S. J. Phys. Chem. 1993, 97, 11456-11463.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 11456-11463
-
-
Ogawa, M.Y.1
Wishart, J.F.2
Young, Z.3
Miller, J.R.4
Isied, S.S.5
-
14
-
-
0001192277
-
-
Song, X.; Lei, Y.; Van Wallendal, S.; Perkovie, M. W.; Jackman, D. C.; Endicott, J. F.; Rillema, D. R. J. Phys. Chem. 1993, 97, 3225-3236.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 3225-3236
-
-
Song, X.1
Lei, Y.2
Van Wallendal, S.3
Perkovie, M.W.4
Jackman, D.C.5
Endicott, J.F.6
Rillema, D.R.7
-
16
-
-
0000208226
-
-
Langen, R.; Colon, J. L.; Casimiro, D. R.; Karpishin, T. B.; Winkler, J. R.; Gray, H. B. J. Bioinorg. Chem. 1996, 1, 221-225.
-
(1996)
J. Bioinorg. Chem.
, vol.1
, pp. 221-225
-
-
Langen, R.1
Colon, J.L.2
Casimiro, D.R.3
Karpishin, T.B.4
Winkler, J.R.5
Gray, H.B.6
-
18
-
-
0028134221
-
-
Moreira, I.; Sun, J.; Cho, M.-o. P.; Wishart, J. F.; Isied, S. S. J. Am. Chem. Soc. 1994, 116, 8396-8397.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 8396-8397
-
-
Moreira, I.1
Sun, J.2
Cho, M.-O.P.3
Wishart, J.F.4
Isied, S.S.5
-
19
-
-
0000966570
-
-
Sun, J.; Wishart, J. F.; Gardineer, M. B.; Cho, M.-o. P.; Isied, S. S. Inorg. Chem. 1995, 34, 3301-3309.
-
(1995)
Inorg. Chem.
, vol.34
, pp. 3301-3309
-
-
Sun, J.1
Wishart, J.F.2
Gardineer, M.B.3
Cho, M.-O.P.4
Isied, S.S.5
-
20
-
-
0030780707
-
-
Wishart, J. F.; Sun, J.; Cho, M.-o. P.; Su, C.; Isied, S. S. J. Phys. Chem. B 1997, 101, 687-693.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 687-693
-
-
Wishart, J.F.1
Sun, J.2
Cho, M.-O.P.3
Su, C.4
Isied, S.S.5
-
21
-
-
21144469177
-
-
Ogawa, M. Y.; Moreira, I.; Wishart, J. F.; Isied, S. S. Chem. Phys. 1993, 176, 589-600.
-
(1993)
Chem. Phys.
, vol.176
, pp. 589-600
-
-
Ogawa, M.Y.1
Moreira, I.2
Wishart, J.F.3
Isied, S.S.4
-
26
-
-
0033518594
-
-
Mutz, M. W.; Case, M. A.; Wishart, J. F.; Ghadiri, M. R.; McLendon, G. L. J. Am. Chem. Soc. 1999, 121, 858-859.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 858-859
-
-
Mutz, M.W.1
Case, M.A.2
Wishart, J.F.3
Ghadiri, M.R.4
McLendon, G.L.5
-
27
-
-
0000458562
-
-
Sisido, M.; Tanaka, R.; Inai, Y.; Imanishi, Y. J. Am. Chem. Soc. 1989, 111, 6790-6796.
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 6790-6796
-
-
Sisido, M.1
Tanaka, R.2
Inai, Y.3
Imanishi, Y.4
-
28
-
-
0035950775
-
-
Sasaki, H.; Makino, M.; Masahiko, S.; Smith, T. A.; Ghiggino, K. P. J. Phys. Chem. B 2001, 105, 10416-10423.
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 10416-10423
-
-
Sasaki, H.1
Makino, M.2
Masahiko, S.3
Smith, T.A.4
Ghiggino, K.P.5
-
29
-
-
0030971178
-
-
Bobrowski, K.; Holcman, J.; Poznanski, J.; Wierzchowski, K. L. Biophys. Chem. 1997, 63, 153-166.
-
(1997)
Biophys. Chem.
, vol.63
, pp. 153-166
-
-
Bobrowski, K.1
Holcman, J.2
Poznanski, J.3
Wierzchowski, K.L.4
-
30
-
-
0242528003
-
-
Wishart, J. F., Nocera, D. G., Eds.; American Chemical Society: Washington, DC
-
Bobrowski, K.; Pozanski, J.; Holcman, J.; Wierzchowski, K. L. In Long-Range Electron-Transfer Between Proline-Bridged Aromatic Amino Acids; Wishart, J. F., Nocera, D. G., Eds.; American Chemical Society: Washington, DC. 1998; Vol. 254.
-
(1998)
Long-Range Electron-Transfer Between Proline-Bridged Aromatic Amino Acids
, vol.254
-
-
Bobrowski, K.1
Pozanski, J.2
Holcman, J.3
Wierzchowski, K.4
-
31
-
-
0026767871
-
-
Lee, H.; Faraggi, M.; Klapper, M. H. Biochim. Biophys. Acta 1992, 1159, 286-294.
-
(1992)
Biochim. Biophys. Acta
, vol.1159
, pp. 286-294
-
-
Lee, H.1
Faraggi, M.2
Klapper, M.H.3
-
32
-
-
0004195462
-
-
Jones, G. I.; Lu, L. N.; Fu, H.; Farahat, C. W.; Oh, C.; Greenfield, S. R.; Gosztola, D. J.; Wasielewski, M. R. J. Phys. Chem. B 1999, 103, 572-581.
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 572-581
-
-
Jones, G.I.1
Lu, L.N.2
Fu, H.3
Farahat, C.W.4
Oh, C.5
Greenfield, S.R.6
Gosztola, D.J.7
Wasielewski, M.R.8
-
33
-
-
37049072074
-
-
Anglos, D.; Bindra, V.; Kuki, A. J. Chem. Soc., Chem. Commun. 1994, 213-215.
-
(1994)
J. Chem. Soc., Chem. Commun.
, pp. 213-215
-
-
Anglos, D.1
Bindra, V.2
Kuki, A.3
-
34
-
-
0033553165
-
-
Polese, A.; Mondini, S.; Blanco, A.; Toniolo, C.; Scorrano, G.; Guildi, D. M. J. Am. Chem. Soc. 1999, 121, 3446-3452.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 3446-3452
-
-
Polese, A.1
Mondini, S.2
Blanco, A.3
Toniolo, C.4
Scorrano, G.5
Guildi, D.M.6
-
37
-
-
0242528006
-
-
Hush, N. S. 1967; Vol. 8, p 391
-
Hush, N. S. 1967; Vol. 8, p 391.
-
-
-
-
44
-
-
0242444503
-
-
note
-
DA only if the interested transition is found within the lowest 150 transition.
-
-
-
-
45
-
-
32744463194
-
-
Isied, S. S., Ed.: American Chemical Society: Washington, DC
-
Isied, S. S. In Long-Range Intramolecular Electron-Transfer Reactions Across Simple Organic Bridges, Peptides, and Proteins; Isied, S. S., Ed.: American Chemical Society: Washington, DC, 1997; Vol. 253, pp 331-347.
-
(1997)
Long-Range Intramolecular Electron-Transfer Reactions Across Simple Organic Bridges, Peptides, and Proteins
, vol.253
, pp. 331-347
-
-
Isied, S.S.1
-
46
-
-
21144483989
-
-
Curtiss, L. A.; Naleway, C. A.; Miller, J. R. Chem. Phys. 1993, 176, 387-405.
-
(1993)
Chem. Phys.
, vol.176
, pp. 387-405
-
-
Curtiss, L.A.1
Naleway, C.A.2
Miller, J.R.3
-
47
-
-
0000836651
-
-
Lopez-Castello, J.-M.; Filali-Mouhim, A.; Plante, I. L.; Jay-Gerin, J.-P. J. Phys. Chem. 1995, 99, 6864-6875.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 6864-6875
-
-
Lopez-Castello, J.-M.1
Filali-Mouhim, A.2
Plante, I.L.3
Jay-Gerin, J.-P.4
-
49
-
-
0017881332
-
-
Hol, W. G. J.; van Duijnen, P. T.; Berendsen, H. J. C. Nature 1978, 273, 443-446.
-
(1978)
Nature
, vol.273
, pp. 443-446
-
-
Hol, W.G.J.1
Van Duijnen, P.T.2
Berendsen, H.J.C.3
-
50
-
-
0242444502
-
-
note
-
When the D and A groups are placed around the α-helix, the physical separation between D and A does not increase linearly with n.
-
-
-
-
51
-
-
0242528005
-
-
note
-
3n- groups was also observed similar to that in the β-strand and polyproline II secondary structures.
-
-
-
-
52
-
-
0242696865
-
-
note
-
3n- bridge can only be due to the Coulombic effects since no carbonyl groups are present in the hydrocarbon bridges to give rise to additional ground-state dipoles.
-
-
-
-
55
-
-
0242527994
-
-
note
-
-1). This is expected because of the small perturbation introduced by the metal ions. However, it should be mentioned that if the orbital energies of donor and acceptor are in the proximity of the peptide π- and π*-orbitals, β-values will change. Such systems are not the subject of this work. Effect of specific hydration on β-values was carried out using the method described in ref 58 where specific water molecules around metal ions were introduced. The results here again show no significant change on the β-values. More extensive calculations involving solvents as a continuum are underway and may lead to a further refinement of these conclusions.
-
-
-
-
57
-
-
0242696863
-
-
Burge, R. E.; Harrison, P. M.; McGavin, S. Acta Crystallogr. 1962, 15, 914-915.
-
(1962)
Acta Crystallogr.
, vol.15
, pp. 914-915
-
-
Burge, R.E.1
Harrison, P.M.2
McGavin, S.3
-
58
-
-
33751123246
-
-
Shin, Y.-g. K.; Brunschwig, B. S.; Creutz, C.; Newton, M.; Sutin, N. J. Phys. Chem. 1996, 100, 1104-1110.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 1104-1110
-
-
Shin, Y.-G.K.1
Brunschwig, B.S.2
Creutz, C.3
Newton, M.4
Sutin, N.5
-
59
-
-
0002257652
-
-
Bolton, J. R., Mataga, N., McLendon, G., Eds.; American Chemical Society: Washington, DC
-
Sutin, N. In Nuclear and Electronic Factors in Electron Transfer: Distance dependence of Electron-Transfer Rates; Bolton, J. R., Mataga, N., McLendon, G., Eds.; American Chemical Society: Washington, DC, 1991; Vol. 228, pp 25-43.
-
(1991)
Nuclear and Electronic Factors in Electron Transfer: Distance Dependence of Electron-Transfer Rates
, vol.228
, pp. 25-43
-
-
Sutin, N.1
-
60
-
-
38549170136
-
-
Creutz, C.; Newton, M. D.; Sutin, N. J. Photochem. Phtobiol., A 1994, 82, 47-59.
-
(1994)
J. Photochem. Phtobiol., A
, vol.82
, pp. 47-59
-
-
Creutz, C.1
Newton, M.D.2
Sutin, N.3
-
62
-
-
0037206718
-
-
Kawatsu, T.; Kakitani, T.; Yamato, T. J. Phys. Chem. B 2002, 106, 11356-11366.
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 11356-11366
-
-
Kawatsu, T.1
Kakitani, T.2
Yamato, T.3
-
69
-
-
0000565474
-
-
Vassilian, A.; Wishart, J. F.; van Hemelryck, B.; Schwarz, H. A.; Isied, S. S. J. Am. Chem. Soc. 1990, 112, 7278-7286.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 7278-7286
-
-
Vassilian, A.1
Wishart, J.F.2
Van Hemelryck, B.3
Schwarz, H.A.4
Isied, S.S.5
-
70
-
-
33845278891
-
-
Isied, S. S.; Vassilian, A.; Wishart, J. J. Am. Chem. Soc. 1988, 110, 635-637.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 635-637
-
-
Isied, S.S.1
Vassilian, A.2
Wishart, J.3
-
71
-
-
0035886124
-
-
Petrov, E. G.; Shevchenko, Y. V.; Teslenko, V. I. J. Chem. Phys. 2001, 115, 7107-7122.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 7107-7122
-
-
Petrov, E.G.1
Shevchenko, Y.V.2
Teslenko, V.I.3
-
72
-
-
0032001556
-
-
Okada, A.; Chernyak, V.; Mukamel, S. J. Phys. Chem. 1998, 102, 1241-1251.
-
(1998)
J. Phys. Chem.
, vol.102
, pp. 1241-1251
-
-
Okada, A.1
Chernyak, V.2
Mukamel, S.3
-
75
-
-
0242612755
-
-
note
-
The driving force for the reaction is reported to be ∼0.4 V, and the reorganization energy is also reported as ∼1.2 V (using the two-sphere model). Thus, these reactions occur in the normal Marcus regime. For our calculations, the reorganization energy was not needed. We estimated the perturbation of molecular orbital energy at the D and A sites (ΔΔE) due to the point dipole generated by C=O groups. For the six-peptide bridge in the α-helical structure comparable to the compound used in Galoppini's experiment, ΔΔE was 24.4 kK in a vacuum or 0.082 V in acetonitrile. From this value, the ratio for the electron transfer in the direction of the molecular dipole vs that against the molecular dipole can be calculated using the equation k(f)/k(r) = exp(-ΔΔE/2RT). Note that if the reaction is activationless, directional dependence will be very small and hard to detect
-
-
-
-
76
-
-
0003601534
-
-
Merck & Co.: Rahway, NJ
-
The Merck Index, 11th ed; Merck & Co.: Rahway, NJ, 1989, p 63.
-
(1989)
The Merck Index, 11th Ed.
, pp. 63
-
-
-
77
-
-
0040960707
-
-
Beratan, D. N.; Onuchic, J. N.; Hopfield, J. J. J. Chem. Phys. 1987, 86, 4488-4498.
-
(1987)
J. Chem. Phys.
, vol.86
, pp. 4488-4498
-
-
Beratan, D.N.1
Onuchic, J.N.2
Hopfield, J.J.3
-
78
-
-
0027090309
-
-
Beratan, D. N.; Onuchic, J. N.; Winkler, J. R.; Gray, H. B. Science 1992, 258, 1740-1741.
-
(1992)
Science
, vol.258
, pp. 1740-1741
-
-
Beratan, D.N.1
Onuchic, J.N.2
Winkler, J.R.3
Gray, H.B.4
-
80
-
-
0026697272
-
-
Wuttke, D. S.; Bjerrum, M. J.; Winkler, J. R.; Gray, H. B. Science 1992, 256, 1007-1009.
-
(1992)
Science
, vol.256
, pp. 1007-1009
-
-
Wuttke, D.S.1
Bjerrum, M.J.2
Winkler, J.R.3
Gray, H.B.4
-
82
-
-
0029328635
-
-
Regan, J. J.; Di Bilio, A. J.; Langen, R.; Skov, L. K.; Winkler, J. R.; Gray, H. B.; Onuchic, J. N. Chem. Biol. 1995, 2, 489-496.
-
(1995)
Chem. Biol.
, vol.2
, pp. 489-496
-
-
Regan, J.J.1
Di Bilio, A.J.2
Langen, R.3
Skov, L.K.4
Winkler, J.R.5
Gray, H.B.6
Onuchic, J.N.7
-
83
-
-
0032507003
-
-
Skov, L. K.; Pascher, T.; Winkler, J. R.; Gray, H. B. J. Am. Chem. Soc. 1998, 120, 1102-1103.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 1102-1103
-
-
Skov, L.K.1
Pascher, T.2
Winkler, J.R.3
Gray, H.B.4
-
84
-
-
0026434593
-
-
Beratan, D. N.; Betts, J. N.; Onuchic, J. N. Science 1991, 252, 1285-1288.
-
(1991)
Science
, vol.252
, pp. 1285-1288
-
-
Beratan, D.N.1
Betts, J.N.2
Onuchic, J.N.3
|