-
1
-
-
24144498081
-
Mechanochemistry: The mechanical activation of covalent bonds
-
Beyer, M. K. & Clausen-Schaumann, H. Mechanochemistry: The mechanical activation of covalent bonds. Chem. Rev. 105, 2921-2948 (2005).
-
(2005)
Chem. Rev.
, vol.105
, pp. 2921-2948
-
-
Beyer, M.K.1
Clausen-Schaumann, H.2
-
2
-
-
73249138313
-
Mechanically induced chemical changes in polymeric materials
-
Caruso, M. M. et al. Mechanically induced chemical changes in polymeric materials. Chem. Rev. 109, 5755-5798 (2009).
-
(2009)
Chem. Rev.
, vol.109
, pp. 5755-5798
-
-
Caruso, M.M.1
-
3
-
-
79251474886
-
From molecular mechanochemistry to stress-responsive materials
-
Black, A. L., Lenhardt, J. M. & Craig, S. L. From molecular mechanochemistry to stress-responsive materials. J. Mater. Chem. 21, 1655-1663 (2011).
-
(2011)
J. Mater. Chem.
, vol.21
, pp. 1655-1663
-
-
Black, A.L.1
Lenhardt, J.M.2
Craig, S.L.3
-
4
-
-
84867453375
-
Covalent mechanochemistry: Theoretical concepts and computational tools with applications to molecular nanomechanics
-
Ribas-Arino, J. & Marx, D. Covalent mechanochemistry: Theoretical concepts and computational tools with applications to molecular nanomechanics. Chem. Rev. 112, 5412-5487 (2012).
-
(2012)
Chem. Rev.
, vol.112
, pp. 5412-5487
-
-
Ribas-Arino, J.1
Marx, D.2
-
5
-
-
33646547262
-
Force-dependent chemical kinetics of disulfide bond reduction observed with single-molecule techniques
-
Wiita, A. P., Ainavarapu, S. R. K., Huang, H. H. & Fernandez, J. M. Force-dependent chemical kinetics of disulfide bond reduction observed with single-molecule techniques. Proc. Natl Acad. Sci. USA 103, 7222-7227 (2006).
-
(2006)
Proc. Natl Acad. Sci. USA
, vol.103
, pp. 7222-7227
-
-
Wiita, A.P.1
Ainavarapu, S.R.K.2
Huang, H.H.3
Fernandez, J.M.4
-
6
-
-
35948932620
-
Probing the chemistry of thioredoxin catalysis with force
-
Wiita, A. P. et al. Probing the chemistry of thioredoxin catalysis with force. Nature 450, 124-127 (2007).
-
(2007)
Nature
, vol.450
, pp. 124-127
-
-
Wiita, A.P.1
-
7
-
-
84962381588
-
Single-molecule force spectroscopy measurements of bond elongation during a bimolecular reaction
-
Ainavarapu, S. R. K., Wiita, A. P., Dougan, L., Uggerud, E. & Fernandez, J. M. Single-molecule force spectroscopy measurements of bond elongation during a bimolecular reaction. J. Am. Chem. Soc. 130, 6479-6487 (2008).
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 6479-6487
-
-
Ainavarapu, S.R.K.1
Wiita, A.P.2
Dougan, L.3
Uggerud, E.4
Fernandez, J.M.5
-
8
-
-
68649118428
-
Mechanochemistry: One bond at a time
-
Liang, J. & Fernandez, J. M. Mechanochemistry: One bond at a time. ACSNano 3, 1628-1645 (2009).
-
(2009)
ACSNano
, vol.3
, pp. 1628-1645
-
-
Liang, J.1
Fernandez, J.M.2
-
9
-
-
67849109572
-
Force-activated reactivity switch in a bimolecular chemical reaction
-
Garcia-Manyes, S., Liang, J., Szoszkiewicz, R., Kuo, T. L. & Fernandez, J. M. Force-activated reactivity switch in a bimolecular chemical reaction. Nature Chem. 1, 236-242 (2009).
-
(2009)
Nature Chem.
, vol.1
, pp. 236-242
-
-
Garcia-Manyes, S.1
Liang, J.2
Szoszkiewicz, R.3
Kuo, T.L.4
Fernandez, J.M.5
-
10
-
-
70349895197
-
Kinetics of thiol/disulfide exchange correlate weakly with the restoring force in the disulfide moiety
-
Kucharski, T. J. et al. Kinetics of thiol/disulfide exchange correlate weakly with the restoring force in the disulfide moiety. Angew. Chem. Int. Ed. 48, 7040-7043 (2009).
-
(2009)
Angew. Chem. Int. Ed.
, vol.48
, pp. 7040-7043
-
-
Kucharski, T.J.1
-
11
-
-
79952584786
-
Kinetic measurements on single-molecule disulfide bond cleavage
-
Liang, J. & Fernandez, J. M. Kinetic measurements on single-molecule disulfide bond cleavage. J. Am. Chem. Soc. 133, 3528-3534 (2011).
-
(2011)
J. Am. Chem. Soc.
, vol.133
, pp. 3528-3534
-
-
Liang, J.1
Fernandez, J.M.2
-
12
-
-
80155147223
-
Direct observation of disulfide isomerization in a single protein
-
Alegre-Cebollada, J., Kosuri, P., Rivas-Pardo, J. A. & Fernandez, J. M. Direct observation of disulfide isomerization in a single protein. Nature Chem. 3, 882-887 (2011).
-
(2011)
Nature Chem.
, vol.3
, pp. 882-887
-
-
Alegre-Cebollada, J.1
Kosuri, P.2
Rivas-Pardo, J.A.3
Fernandez, J.M.4
-
13
-
-
71549143840
-
Disulfides as redox switches: From molecular mechanisms to functional significance
-
Wouters, M. A., Fan, S. W. & Haworth, N. L. Disulfides as redox switches: From molecular mechanisms to functional significance. Antioxid. Redox Signal. 12, 53-91 (2010).
-
(2010)
Antioxid. Redox Signal.
, vol.12
, pp. 53-91
-
-
Wouters, M.A.1
Fan, S.W.2
Haworth, N.L.3
-
14
-
-
0036341983
-
Disulfide exchange in domain 2 of CD4 is required for entry of HIV-I
-
Matthias, L. J. et al. Disulfide exchange in domain 2 of CD4 is required for entry of HIV-I. Nature Immunol. 3, 727-732 (2002).
-
(2002)
Nature Immunol.
, vol.3
, pp. 727-732
-
-
Matthias, L.J.1
-
15
-
-
33748992850
-
Disulfide isomerization switches tissue factor from coagulation to cell signaling
-
Ahamed, J. et al. Disulfide isomerization switches tissue factor from coagulation to cell signaling. Proc. Natl Acad. Sci. USA 103, 13932-13937 (2006).
-
(2006)
Proc. Natl Acad. Sci. USA
, vol.103
, pp. 13932-13937
-
-
Ahamed, J.1
-
16
-
-
79954618056
-
Chemomechanics: Chemical kinetics for multiscale phenomena
-
Huang, Z. & Boulatov, R. Chemomechanics: Chemical kinetics for multiscale phenomena. Chem. Soc. Rev. 40, 2359-2384 (2011).
-
(2011)
Chem. Soc. Rev.
, vol.40
, pp. 2359-2384
-
-
Huang, Z.1
Boulatov, R.2
-
17
-
-
77951609685
-
Disulfide bond cleavage: A redox reaction without electron transfer
-
Hofbauer, F. & Frank, I. Disulfide bond cleavage: A redox reaction without electron transfer. Chem. Eur. J. 16, 5097-5101 (2010).
-
(2010)
Chem. Eur. J.
, vol.16
, pp. 5097-5101
-
-
Hofbauer, F.1
Frank, I.2
-
18
-
-
78649516515
-
Atomistic evidence of how force dynamically regulates thiol/disulfide exchange
-
Li, W. & Gräter, F. Atomistic evidence of how force dynamically regulates thiol/disulfide exchange. J. Am. Chem. Soc. 132, 16790-16795 (2010).
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 16790-16795
-
-
Li, W.1
Gräter, F.2
-
19
-
-
79952750493
-
Influence of external force on properties and reactivity of disulfide bonds
-
Iozzi, M. F., Helgaker, T. & Uggerud, E. Influence of external force on properties and reactivity of disulfide bonds. J. Phys. Chem. A 115, 2308-2315 (2011).
-
(2011)
J. Phys. Chem.
, vol.A115
, pp. 2308-2315
-
-
Iozzi, M.F.1
Helgaker, T.2
Uggerud, E.3
-
20
-
-
84856741405
-
Mechanical force can fine-tune redox potentials of disulfide bonds
-
Baldus, I. B. & Gräter, F. Mechanical force can fine-tune redox potentials of disulfide bonds. Biophys. J. 102, 622-629 (2012).
-
(2012)
Biophys. J.
, vol.102
, pp. 622-629
-
-
Baldus, I.B.1
Gräter, F.2
-
21
-
-
80054995363
-
Tunable nanomechanics of protein disulfide bonds in redox microenvironments
-
Keten, S., Chou, C.-C., van Duin, A. C. & Buehler, M. J. Tunable nanomechanics of protein disulfide bonds in redox microenvironments. J. Mech. Behav. Biomed. Mater. 5, 32-40 (2012).
-
(2012)
J. Mech. Behav. Biomed. Mater.
, vol.5
, pp. 32-40
-
-
Keten, S.1
Chou, C.-C.2
Van Duin, A.C.3
Buehler, M.J.4
-
22
-
-
84870878713
-
CPMD simulation of a bimolecular chemical reaction: Nucleophilic attack of a disulfide bond under mechanical stress
-
Hofbauer, F. & Frank, I. CPMD simulation of a bimolecular chemical reaction: Nucleophilic attack of a disulfide bond under mechanical stress. Chem. Eur. J. 18, 16332-16338 (2012).
-
(2012)
Chem. Eur. J.
, vol.18
, pp. 16332-16338
-
-
Hofbauer, F.1
Frank, I.2
-
23
-
-
0005259357
-
Theoretical studies of the reactions of the sulfur-sulfur bond. 1. General heterolytic mechanisms
-
Pappas, J. A. Theoretical studies of the reactions of the sulfur-sulfur bond. 1. General heterolytic mechanisms. J. Am. Chem. Soc. 99, 2926-2930 (1977).
-
(1977)
J. Am. Chem. Soc.
, vol.99
, pp. 2926-2930
-
-
Pappas, J.A.1
-
24
-
-
33748498047
-
Nucleophilic substitution at sulfur: SN2 or addition-eliminatioñ
-
Bachrach, S. M. & Mulhearn, D. C. Nucleophilic substitution at sulfur: SN2 or addition-eliminatioñ J. Phys. Chem. 100, 3535-3540 (1996).
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 3535-3540
-
-
Bachrach, S.M.1
Mulhearn, D.C.2
-
25
-
-
0347719283
-
Theoretical insights into the mechanism for thiol/disulfide exchange
-
Fernandes, P. A. & Ramos, M. J. Theoretical insights into the mechanism for thiol/disulfide exchange. Chem. Eur. J. 10, 257-266 (2004).
-
(2004)
Chem. Eur. J.
, vol.10
, pp. 257-266
-
-
Fernandes, P.A.1
Ramos, M.J.2
-
26
-
-
35548957414
-
Mechanism of sn2 disulfide bond cleavage by phosphorus nucleophiles implications for biochemical disulfide reducing agents
-
Dmitrenko, O., Thorpe, C. & Bach., R. Mechanism of SN2 disulfide bond cleavage by phosphorus nucleophiles. Implications for biochemical disulfide reducing agents. J. Org. Chem. 72, 8298-8307 (2007).
-
(2007)
J. Org. Chem.
, vol.72
, pp. 8298-8307
-
-
Dmitrenko, O.1
Thorpe, C.2
Bach, R.3
-
27
-
-
37549062553
-
Mechanism of thiolate-disulfide interchange reactions in biochemistry
-
Bach, R. D., Dmitrenko, O. & Thorpe, C. Mechanism of thiolate-disulfide interchange reactions in biochemistry. J. Org. Chem. 73, 12-21 (2008).
-
(2008)
J. Org. Chem.
, vol.73
, pp. 12-21
-
-
Bach, R.D.1
Dmitrenko, O.2
Thorpe, C.3
-
29
-
-
84961983794
-
Effect of micro and bulk solvation on the mechanism of nucleophilic substitution at sulfur in disulfides
-
Hayes, J. M. & Bachrach, S. M. Effect of micro and bulk solvation on the mechanism of nucleophilic substitution at sulfur in disulfides. J. Phys. Chem. A 107, 7952-7961 (2003).
-
(2003)
J. Phys. Chem.
, vol.A107
, pp. 7952-7961
-
-
Hayes, J.M.1
Bachrach, S.M.2
-
31
-
-
0041810451
-
Efficient exploration of reactive potential energy surfaces using Car-Parrinello molecular dynamics
-
Iannuzzi, M., Laio, A. & Parrinello, M. Efficient exploration of reactive potential energy surfaces using Car-Parrinello molecular dynamics. Phys. Rev. Lett. 90, 238302 (2003).
-
(2003)
Phys. Rev. Lett.
, vol.90
, pp. 238302
-
-
Iannuzzi, M.1
Laio, A.2
Parrinello, M.3
-
32
-
-
4243661501
-
Constrained reaction coordinate dynamics for the simulation of rare events
-
Carter, E., Ciccotti, G., Hynes, J. T. & Kapral, R. Constrained reaction coordinate dynamics for the simulation of rare events. Chem. Phys. Lett. 156, 472-477 (1989).
-
(1989)
Chem. Phys. Lett.
, vol.156
, pp. 472-477
-
-
Carter, E.1
Ciccotti, G.2
Hynes, J.T.3
Kapral, R.4
-
33
-
-
0001702831
-
Free energy from constrained molecular dynamics
-
Sprik, M. & Ciccotti, G. Free energy from constrained molecular dynamics. J. Chem. Phys. 109, 7737-7744 (1998).
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 7737-7744
-
-
Sprik, M.1
Ciccotti, G.2
-
34
-
-
79960652622
-
Force-transformed free energy surfaces and trajectory shooting simulations reveal the mechano-stereochemistry of cyclopropane ring-opening reactions
-
Dopieralski, P., Ribas-Arino, J. & Marx, D. Force-transformed free energy surfaces and trajectory shooting simulations reveal the mechano-stereochemistry of cyclopropane ring-opening reactions. Angew. Chem. Int. Ed. 50, 7105-7108 (2011).
-
(2011)
Angew. Chem. Int. Ed.
, vol.50
, pp. 7105-7108
-
-
Dopieralski, P.1
Ribas-Arino, J.2
Marx, D.3
-
35
-
-
70349958163
-
Understanding covalent mechanochemistry
-
Ribas-Arino, J., Shiga, M. & Marx, D. Understanding covalent mechanochemistry. Angew. Chem. Int. Ed. 48, 4190-4193 (2009).
-
(2009)
Angew. Chem. Int. Ed.
, vol.48
, pp. 4190-4193
-
-
Ribas-Arino, J.1
Shiga, M.2
Marx, D.3
-
36
-
-
0003936370
-
-
(eds Patai, S. & Rappoport, Z.) (John Wiley
-
Singh, R. & Whitesides, G. M. in Supplement S: The Chemistry of Sulphur-Containing Functional Groups (eds Patai, S. & Rappoport, Z.) 633-658 (John Wiley, 1993).
-
(1993)
Supplement S: The Chemistry of Sulphur-Containing Functional Groups
, pp. 633-658
-
-
Singh, R.1
Whitesides, G.M.2
-
37
-
-
77951245193
-
Aqueous basic solutions: Hydroxide solvation, structural diffusion, and comparison to the hydrated proton
-
Marx, D., Chandra, A. & Tuckerman, M. E. Aqueous basic solutions: Hydroxide solvation, structural diffusion, and comparison to the hydrated proton. Chem. Rev. 110, 2174-2216 (2010).
-
(2010)
Chem. Rev.
, vol.110
, pp. 2174-2216
-
-
Marx, D.1
Chandra, A.2
Tuckerman, M.E.3
-
38
-
-
33947532790
-
Biasing reaction pathways with mechanical force
-
Hickenboth, C. R. et al. Biasing reaction pathways with mechanical force. Nature 446, 423-427 (2007).
-
(2007)
Nature
, vol.446
, pp. 423-427
-
-
Hickenboth, C.R.1
-
39
-
-
77955046929
-
Mechanochemical transduction of externally applied forces to mechanophores
-
Ribas-Arino, J., Shiga, M. & Marx, D. Mechanochemical transduction of externally applied forces to mechanophores. J. Am. Chem. Soc. 132, 10609-10614 (2010).
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 10609-10614
-
-
Ribas-Arino, J.1
Shiga, M.2
Marx, D.3
-
40
-
-
79958163769
-
On the role of polymer chains in transducing external mechanical forces to benzocyclobutene mechanophores
-
Dopieralski, P. et al. On the role of polymer chains in transducing external mechanical forces to benzocyclobutene mechanophores. J. Mater. Chem. 21, 8309-8316 (2011).
-
(2011)
J. Mater. Chem.
, vol.21
, pp. 8309-8316
-
-
Dopieralski, P.1
-
41
-
-
84862189237
-
Quantum-chemical validation of the local assumption of chemomechanics for a unimolecular reaction
-
Tian, Y. & Boulatov, R. Quantum-chemical validation of the local assumption of chemomechanics for a unimolecular reaction. ChemPhysChem 13, 2277-2281 (2012).
-
(2012)
Chem Phys Chem
, vol.13
, pp. 2277-2281
-
-
Tian, Y.1
Boulatov, R.2
-
42
-
-
34548132035
-
Evaluating the stability of disulfide bridges in proteins: A torsional potential energy surface for diethyl disulfide
-
Haworth, N. L., Gready, J. E., George, R. A. & Wouters, M. A. Evaluating the stability of disulfide bridges in proteins: A torsional potential energy surface for diethyl disulfide. Mol. Simul. 33, 475-485 (2007).
-
(2007)
Mol. Simul.
, vol.33
, pp. 475-485
-
-
Haworth, N.L.1
Gready, J.E.2
George, R.A.3
Wouters, M.A.4
-
43
-
-
77954902959
-
Probing static disorder in Arrhenius kinetics by single-molecule spectroscopy
-
Kuo, T.-L. et al. Probing static disorder in Arrhenius kinetics by single-molecule spectroscopy. Proc. Natl Acad. Sci. USA 107, 11336-11340 (2010).
-
(2010)
Proc. Natl Acad. Sci. USA
, vol.107
, pp. 11336-11340
-
-
Kuo, T.-L.1
-
44
-
-
79952273128
-
Contrasting the individual reactive pathways in protein unfolding and disulfide bond reduction observed within a single protein
-
Garcia-Manyes, S., Kuo, T.-L. & Fernandez, J. M. Contrasting the individual reactive pathways in protein unfolding and disulfide bond reduction observed within a single protein. J. Am. Chem. Soc. 133, 3104-3113 (2011).
-
(2011)
J. Am. Chem. Soc.
, vol.133
, pp. 3104-3113
-
-
Garcia-Manyes, S.1
Kuo, T.-L.2
Fernandez, J.M.3
-
45
-
-
84860801470
-
Prediction of reaction barriers and force-induced instabilities under mechanochemical conditions with an approximate model: A case study of the ring opening of 1,3-cyclohexadiene
-
Bailey, A. & Mosey, N. J. Prediction of reaction barriers and force-induced instabilities under mechanochemical conditions with an approximate model: A case study of the ring opening of 1,3-cyclohexadiene. J. Chem. Phys. 136, 044102 (2012).
-
(2012)
J. Chem. Phys.
, vol.136
, pp. 044102
-
-
Bailey, A.1
Mosey, N.J.2
-
46
-
-
0037653696
-
Direct observation of catch bonds involving cell-adhesion molecules
-
Marshall, B. T. et al. Direct observation of catch bonds involving cell-adhesion molecules. Nature 423, 190-193 (2003).
-
(2003)
Nature
, vol.423
, pp. 190-193
-
-
Marshall, B.T.1
-
47
-
-
67649227952
-
Theoretical aspects of the biological catch bond
-
Prezhdo, O. V. & Pereverzev, Y. V. Theoretical aspects of the biological catch bond. Acc. Chem. Res. 42, 693-703 (2009).
-
(2009)
Acc. Chem. Res.
, vol.42
, pp. 693-703
-
-
Prezhdo, O.V.1
Pereverzev, Y.V.2
|