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Volumn 132, Issue 18, 2010, Pages

The electrostatics of solvent and membrane interfaces and the role of electronic polarizability

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC CHARGE DISTRIBUTIONS; ATOMISTIC MOLECULAR DYNAMICS SIMULATIONS; DIELECTRIC RESPONSE; DIPOLAR CONTRIBUTION; DIPOLE POTENTIAL; ELECTRONIC-POLARIZABILITY; EXPERIMENTAL MEASUREMENTS; HYDROCARBON MEMBRANE; MEMBRANE INTERFACE; POLARIZABILITIES; POLARIZABLE MODEL; SOLVENT-SOLVENT INTERFACE;

EID: 77952680504     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3402125     Document Type: Article
Times cited : (40)

References (74)
  • 1
    • 33845280446 scopus 로고
    • BICHAW 0006-2960, () 10.1021/bi00405a042;, J. Gen. Physiol. JGPLAD 0022-1295 129, 357 (2007). 10.1085/jg200709743
    • A. Radzicka and R. Wolfenden, Biochemistry BICHAW 0006-2960 27, 1664 (1988) 10.1021/bi00405a042; R. Wolfenden, J. Gen. Physiol. JGPLAD 0022-1295 129, 357 (2007). 10.1085/jgp.200709743
    • (1988) Biochemistry , vol.27 , pp. 1664
    • Radzicka, A.1    Wolfenden, R.2    Wolfenden, R.3
  • 2
    • 0014481138 scopus 로고
    • NATUAS 0028-0836,. 10.1038/221844a0
    • A. Parsegian, Nature (London) NATUAS 0028-0836 221, 844 (1969). 10.1038/221844a0
    • (1969) Nature (London) , vol.221 , pp. 844
    • Parsegian, A.1
  • 3
    • 0022670331 scopus 로고
    • BIOJAU 0006-3495,. 10.1016/S0006-3495(86)83664-5
    • R. F. Flewelling and W. L. Hubbell, Biophys. J. BIOJAU 0006-3495 49, 541 (1986). 10.1016/S0006-3495(86)83664-5
    • (1986) Biophys. J. , vol.49 , pp. 541
    • Flewelling, R.F.1    Hubbell, W.L.2
  • 4
    • 0031982611 scopus 로고    scopus 로고
    • BIOJAU 0006-3495,. 10.1016/S0006-3495(98)77789-6
    • S. Paula, A. G. Volkov, and D. W. Deamer, Biophys. J. BIOJAU 0006-3495 74, 319 (1998). 10.1016/S0006-3495(98)77789-6
    • (1998) Biophys. J. , vol.74 , pp. 319
    • Paula, S.1    Volkov, A.G.2    Deamer, D.W.3
  • 5
    • 0031148684 scopus 로고    scopus 로고
    • Two mechanisms of permeation of small neutral molecules and hydrated ions across phospholipid bilayers
    • DOI 10.1016/S0302-4598(96)05097-0, PII S0302459896050970
    • A. G. Volkov, S. Paula, and D. W. Deamer, Bioelectrochem. Bioenerg. BEBEBP 0302-4598 42, 153 (1997). 10.1016/S0302-4598(96)05097-0 (Pubitemid 27273840)
    • (1997) Bioelectrochemistry and Bioenergetics , vol.42 , Issue.2 , pp. 153-160
    • Volkov, A.G.1    Paula, S.2    Deamer, D.W.3
  • 6
    • 0036667305 scopus 로고    scopus 로고
    • CHREAY 0009-2665,. 10.1021/cr000692, (Washington, D.C.)
    • L. R. Pratt and A. Pohorille, Chem. Rev. (Washington, D.C.) CHREAY 0009-2665 102, 2671 (2002). 10.1021/cr000692+
    • (2002) Chem. Rev. , vol.102 , pp. 2671
    • Pratt, L.R.1    Pohorille, A.2
  • 7
    • 0000110909 scopus 로고
    • in, edited by J. O. M. Bockris and B. E. Conway (Butterworths, London)
    • R. Parsons, in Modern Aspects of Electrochemistry, edited by, J. O. M. Bockris, and, B. E. Conway, (Butterworths, London, 1954), Vol. 1, p. 103.
    • (1954) Modern Aspects of Electrochemistry , vol.1 , pp. 103
    • Parsons, R.1
  • 8
    • 44049111054 scopus 로고
    • BEBEBP 0302-4598,. 10.1016/0302-4598(92)80001-W
    • D. Walz and S. R. Caplan, Bioelectrochem. Bioenerg. BEBEBP 0302-4598 28, 5 (1992). 10.1016/0302-4598(92)80001-W
    • (1992) Bioelectrochem. Bioenerg. , vol.28 , pp. 5
    • Walz, D.1    Caplan, S.R.2
  • 10
  • 11
    • 0030222447 scopus 로고    scopus 로고
    • Electrical double layers at the oil/water interface
    • DOI 10.1016/S0079-6816(97)82876-6, PII S007968169600010X
    • A. G. Volkov, D. W. Deamer, D. L. Tanelian, and V. S. Markin, Prog. Surf. Sci. PSSFBP 0079-6816 53, 1 (1996). 10.1016/S0079-6816(97)82876-6 (Pubitemid 126401333)
    • (1996) Progress in Surface Science , vol.53 , Issue.1 , pp. 1-134
    • Volkov, A.G.1    Deamer, D.W.2    Tanelian, D.L.3    Markin, V.S.4
  • 12
    • 0033889934 scopus 로고    scopus 로고
    • Electrical properties of free surface of water and aqueous solutions
    • DOI 10.1016/S0001-8686(99)00014-7
    • M. Paluch, Adv. Colloid Interface Sci. ACISB9 0001-8686 84, 27 (2000) 10.1016/S0001-8686(99)00014-7; (Pubitemid 30526522)
    • (2000) Advances in Colloid and Interface Science , vol.84 , Issue.1 , pp. 27-45
    • Paluch, M.1
  • 14
    • 34547853578 scopus 로고    scopus 로고
    • Revisiting the hexane-water interface via molecular dynamics simulations using nonadditive alkane-water potentials
    • DOI 10.1063/1.2198538
    • S. A. Patel and C. L. Brooks, J. Chem. Phys. JCPSA6 0021-9606 124, 204706 (2006). 10.1063/1.2198538 (Pubitemid 43838638)
    • (2006) Journal of Chemical Physics , vol.124 , Issue.20 , pp. 204706
    • Patel, S.A.1    Brooks III, C.L.2
  • 15
    • 0003998388 scopus 로고    scopus 로고
    • edited by D. R. Lide (CRC, Boca Raton, FL)
    • CRC Handbook Chemistry and Physics, edited by, D. R. Lide, (CRC, Boca Raton, FL, 2003).
    • (2003) CRC Handbook Chemistry and Physics
  • 16
    • 0001186174 scopus 로고
    • JCPSA6 0021-9606, () 10.1063/1.1701649
    • F. H. Stillinger and A. Ben-Naim, J. Chem. Phys. JCPSA6 0021-9606 47, 4431 (1967) 10.1063/1.1701649;
    • (1967) J. Chem. Phys. , vol.47 , pp. 4431
    • Stillinger, F.H.1    Ben-Naim, A.2
  • 18
    • 57849157822 scopus 로고    scopus 로고
    • JCPSA6 0021-9606,. 10.1063/1.3027513
    • E. Harder and B. Roux, J. Chem. Phys. JCPSA6 0021-9606 129, 234706 (2008). 10.1063/1.3027513
    • (2008) J. Chem. Phys. , vol.129 , pp. 234706
    • Harder, E.1    Roux, B.2
  • 19
    • 0001760319 scopus 로고    scopus 로고
    • MOPHAM 0026-8976,. 10.1080/002689797169916
    • V. P. Sokhan and D. J. Tildesley, Mol. Phys. MOPHAM 0026-8976 92, 625 (1997). 10.1080/002689797169916
    • (1997) Mol. Phys. , vol.92 , pp. 625
    • Sokhan, V.P.1    Tildesley, D.J.2
  • 20
    • 33645724429 scopus 로고
    • JPCHAX 0022-3654, () 10.1021/j100016a067
    • J. W. Caldwell and P. A. Kollman, J. Phys. Chem. JPCHAX 0022-3654 99, 6208 (1995) 10.1021/j100016a067;
    • (1995) J. Phys. Chem. , vol.99 , pp. 6208
    • Caldwell, J.W.1    Kollman, P.A.2
  • 21
    • 0034249487 scopus 로고    scopus 로고
    • JPCBFK 1089-5647,. 10.1021/jp0015067
    • H. S. Ashbaugh, J. Phys. Chem. B JPCBFK 1089-5647 104, 7235 (2000). 10.1021/jp0015067
    • (2000) J. Phys. Chem. B , vol.104 , pp. 7235
    • Ashbaugh, H.S.1
  • 22
    • 1842422919 scopus 로고    scopus 로고
    • JCPSA6 0021-9606,. 10.1063/1.1644536
    • S. Rajamani, T. Ghosh, and S. Garde, J. Chem. Phys. JCPSA6 0021-9606 120, 4457 (2004). 10.1063/1.1644536
    • (2004) J. Chem. Phys. , vol.120 , pp. 4457
    • Rajamani, S.1    Ghosh, T.2    Garde, S.3
  • 23
  • 25
  • 26
    • 33644879448 scopus 로고    scopus 로고
    • JPCBFK 1089-5647,. 10.1021/jp056043p
    • G. Lamoureux and B. Roux, J. Phys. Chem. B JPCBFK 1089-5647 110, 3308 (2006). 10.1021/jp056043p
    • (2006) J. Phys. Chem. B , vol.110 , pp. 3308
    • Lamoureux, G.1    Roux, B.2
  • 30
    • 34249936269 scopus 로고    scopus 로고
    • RCBUEY 1066-5285,. 10.1007/s11172-007-0001-8
    • V. I. Parfenyuk, Russ. Chem. Bull. RCBUEY 1066-5285 56, 1 (2007). 10.1007/s11172-007-0001-8
    • (2007) Russ. Chem. Bull. , vol.56 , pp. 1
    • Parfenyuk, V.I.1
  • 31
  • 32
    • 0342933118 scopus 로고
    • JMBBBO 0022-2631, () 10.1007/BF01944229
    • A. D. Pickar and R. Benz, J. Membr. Biol. JMBBBO 0022-2631 44, 353 (1978) 10.1007/BF01944229;
    • (1978) J. Membr. Biol. , vol.44 , pp. 353
    • Pickar, A.D.1    Benz, R.2
  • 33
    • 0036104778 scopus 로고    scopus 로고
    • BIOJAU 0006-3495,. 10.1016/S0006-3495(02)75649-X
    • J. Schamberger and R. J. Clarke, Biophys. J. BIOJAU 0006-3495 82, 3081 (2002). 10.1016/S0006-3495(02)75649-X
    • (2002) Biophys. J. , vol.82 , pp. 3081
    • Schamberger, J.1    Clarke, R.J.2
  • 35
    • 0034746677 scopus 로고    scopus 로고
    • Dipole potential of phospholipid membranes and methods for its detection
    • DOI 10.1016/S0001-8686(00)00061-0
    • R. J. Clarke, Adv. Colloid Interface Sci. ACISB9 0001-8686 89-90, 263 (2001). 10.1016/S0001-8686(00)00061-0 (Pubitemid 32092488)
    • (2001) Advances in Colloid and Interface Science , vol.89-90 , pp. 263-281
    • Clarke, R.J.1
  • 38
    • 5244326635 scopus 로고    scopus 로고
    • JCCHDD 0192-8651, () 10.1002/(SICI)1096-987X(19990415)20:5<531::AID- JCC5>3.0.CO;2-3;, Biophys. J. BIOJAU 0006-3495 81, 3005 (2001) 10.1016/S0006-3495(01)75941-3;, Langmuir LANGD5 0743-7463 20, 7844 (2004) 10.1021/la049485l;, J. Chem. Phys. JCPSA6 0021-9606 121, 9648 (2004). 10.1063/1.1806791
    • A. M. Smondyrev and M. L. Berkowitz, J. Comput. Chem. JCCHDD 0192-8651 20, 531 (1999) 10.1002/(SICI)1096-987X(19990415)20:5<531::AID-JCC5>3.0. CO;2-3; R. J. Mashl, H. L. Scott, S. Subramaniam, and E. Jakobsson, Biophys. J. BIOJAU 0006-3495 81, 3005 (2001) 10.1016/S0006-3495(01)75941-3; M. A. Villarreal, S. B. Diaz, E. A. Disalvo, and G. G. Montich, Langmuir LANGD5 0743-7463 20, 7844 (2004) 10.1021/la049485l; K. Shinoda, W. Shinoda, T. Baba, and M. Mikami, J. Chem. Phys. JCPSA6 0021-9606 121, 9648 (2004). 10.1063/1.1806791
    • (1999) J. Comput. Chem. , vol.20 , pp. 531
    • Smondyrev, A.M.1    Berkowitz, M.L.2    Mashl, R.J.3    Scott, H.L.4    Subramaniam, S.5    Jakobsson, E.6    Villarreal, M.A.7    Diaz, S.B.8    Disalvo, E.A.9    Montich, G.G.10    Shinoda, K.11    Shinoda, W.12    Baba, T.13    Mikami, M.14
  • 40
    • 67650079292 scopus 로고    scopus 로고
    • JPCBFK 1089-5647,. 10.1021/jp901088g
    • J. E. Davis and S. Patel, J. Phys. Chem. B JPCBFK 1089-5647 113, 9183 (2009). 10.1021/jp901088g
    • (2009) J. Phys. Chem. B , vol.113 , pp. 9183
    • Davis, J.E.1    Patel, S.2
  • 41
    • 58849129143 scopus 로고    scopus 로고
    • BIOJAU 0006-3495,. 10.1016/j.bpj.2008.09.048
    • J. E. Davis, O. Rahaman, and S. Patel, Biophys. J. BIOJAU 0006-3495 96, 385 (2009). 10.1016/j.bpj.2008.09.048
    • (2009) Biophys. J. , vol.96 , pp. 385
    • Davis, J.E.1    Rahaman, O.2    Patel, S.3
  • 44
    • 77952736575 scopus 로고    scopus 로고
    • See supplementary material at E-JCPSA6-132-019016 for detailed simulation methods and additional tables and figures.
    • See supplementary material at http://dx.doi.org/10.1063/1.3402125 E-JCPSA6-132-019016 for detailed simulation methods and additional tables and figures.
  • 45
    • 0000999989 scopus 로고    scopus 로고
    • JCCHDD 0192-8651,. 10.1002/(SICI)1096-987X(199802)19:3<334::AID- JCC7>3.0.CO;2-U
    • D. X. Yin and A. D. Mackerell, J. Comput. Chem. JCCHDD 0192-8651 19, 334 (1998). 10.1002/(SICI)1096-987X(199802)19:3<334::AID-JCC7>3.0.CO;2-U
    • (1998) J. Comput. Chem. , vol.19 , pp. 334
    • Yin, D.X.1    MacKerell, A.D.2
  • 46
    • 0034250744 scopus 로고    scopus 로고
    • JPCBFK 1089-5647,. 10.1021/jp0007843
    • S. E. Feller and A. D. MacKerell, J. Phys. Chem. B JPCBFK 1089-5647 104, 7510 (2000). 10.1021/jp0007843
    • (2000) J. Phys. Chem. B , vol.104 , pp. 7510
    • Feller, S.E.1    MacKerell, A.D.2
  • 51
    • 0001655657 scopus 로고
    • JCPSA6 0021-9606,. 10.1063/1.466711
    • D. Beglov and B. Roux, J. Chem. Phys. JCPSA6 0021-9606 100, 9050 (1994). 10.1063/1.466711
    • (1994) J. Chem. Phys. , vol.100 , pp. 9050
    • Beglov, D.1    Roux, B.2
  • 53
    • 27144489989 scopus 로고    scopus 로고
    • Polarizable empirical force field for alkanes based on the classical Drude oscillator model
    • DOI 10.1021/jp053182y
    • I. V. Vorobyov, V. M. Anisimov, and A. D. MacKerell, J. Phys. Chem. B JPCBFK 1089-5647 109, 18988 (2005). 10.1021/jp053182y (Pubitemid 41509189)
    • (2005) Journal of Physical Chemistry B , vol.109 , Issue.40 , pp. 18988-18999
    • Vorobyov, I.V.1    Anisimov, V.M.2    MacKerell Jr., A.D.3
  • 54
    • 30344482264 scopus 로고    scopus 로고
    • A polarizable model of water for molecular dynamics simulations of biomolecules
    • DOI 10.1016/j.cplett.2005.10.135, PII S0009261405017069
    • G. Lamoureux, E. Harder, I. V. Vorobyov, B. Roux, and A. D. MacKerell, Chem. Phys. Lett. CHPLBC 0009-2614 418, 245 (2006). 10.1016/j.cplett.2005.10.135 (Pubitemid 43063383)
    • (2006) Chemical Physics Letters , vol.418 , Issue.1-3 , pp. 245-249
    • Lamoureux, G.1    Harder, E.2    Vorobyov, I.V.3    Roux, B.4    MacKerell Jr., A.D.5
  • 55
    • 7044239742 scopus 로고
    • CHREAY 0009-2665, 10.1021/cr00023a004
    • P. Kollman, Chem. Rev. CHREAY 0009-2665 93, 2395 (1993) 10.1021/cr00023a004.
    • (1993) Chem. Rev. , vol.93 , pp. 2395
    • Kollman, P.1
  • 56
    • 7544232432 scopus 로고    scopus 로고
    • JPCBFK 1089-5647,. 10.1021/jp048502c
    • Y. Q. Deng and B. Roux, J. Phys. Chem. B JPCBFK 1089-5647 108, 16567 (2004). 10.1021/jp048502c
    • (2004) J. Phys. Chem. B , vol.108 , pp. 16567
    • Deng, Y.Q.1    Roux, B.2
  • 57
    • 0028677654 scopus 로고
    • JACSAT 0002-7863,. 10.1021/ja00083a038
    • M. A. Wilson and A. Pohorille, J. Am. Chem. Soc. JACSAT 0002-7863 116, 1490 (1994). 10.1021/ja00083a038
    • (1994) J. Am. Chem. Soc. , vol.116 , pp. 1490
    • Wilson, M.A.1    Pohorille, A.2
  • 58
  • 60
    • 36649025074 scopus 로고    scopus 로고
    • PPCPFQ 1463-9076,. 10.1039/b706153f
    • B. A. Pethica, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 9, 6253 (2007). 10.1039/b706153f
    • (2007) Phys. Chem. Chem. Phys. , vol.9 , pp. 6253
    • Pethica, B.A.1
  • 61
    • 22244445788 scopus 로고    scopus 로고
    • Imaging α-hemolysin with molecular dynamics: Ionic conductance, osmotic permeability, and the electrostatic potential map
    • DOI 10.1529/biophysj.104.058727
    • A. Aksimentiev and K. Schulten, Biophys. J. BIOJAU 0006-3495 88, 3745 (2005). 10.1529/biophysj.104.058727 (Pubitemid 40991090)
    • (2005) Biophysical Journal , vol.88 , Issue.6 , pp. 3745-3761
    • Aksimentiev, A.1    Schulten, K.2
  • 62
    • 34250928962 scopus 로고
    • ZEPYAA 0044-3328,. 10.1007/BF01881023
    • M. Born, Z. Phys. ZEPYAA 0044-3328 1, 45 (1920). 10.1007/BF01881023
    • (1920) Z. Phys. , vol.1 , pp. 45
    • Born, M.1
  • 65
    • 38449120033 scopus 로고    scopus 로고
    • Solvent reaction field potential inside an uncharged globular protein: A bridge between implicit and explicit solvent models?
    • DOI 10.1063/1.2771171
    • D. S. Cerutti, N. A. Baker, and J. A. McCammon, J. Chem. Phys. JCPSA6 0021-9606 127, 155101 (2007) 10.1063/1.2771171; (Pubitemid 351260821)
    • (2007) Journal of Chemical Physics , vol.127 , Issue.15 , pp. 155101
    • Cerutti, D.S.1    Baker, N.A.2    McCammon, J.A.3
  • 67
    • 0026425837 scopus 로고
    • JCPSA6 0021-9606, () 10.1063/1.461592
    • M. A. Wilson and A. Pohorille, J. Chem. Phys. JCPSA6 0021-9606 95, 6005 (1991) 10.1063/1.461592;
    • (1991) J. Chem. Phys. , vol.95 , pp. 6005
    • Wilson, M.A.1    Pohorille, A.2
  • 69
    • 77953589882 scopus 로고    scopus 로고
    • The electrostatics of deformable lipid membranes
    • BIOJAU 0006-3495 (in press)
    • I. V. Vorobyov, B. Bekker, and T. W. Allen, " The electrostatics of deformable lipid membranes.," Biophys. J. BIOJAU 0006-3495 (in press).
    • Biophys. J.
    • Vorobyov, I.V.1    Bekker, B.2    Allen, T.W.3
  • 71
    • 41549149586 scopus 로고    scopus 로고
    • Biomolecular simulations of membranes: Physical properties from different force fields
    • DOI 10.1063/1.2897760
    • S. W. I. Siu, R. Vacha, P. Jungwirth, and R. A. Bockmann, J. Chem. Phys. JCPSA6 0021-9606 128, 125103 (2008). 10.1063/1.2897760 (Pubitemid 351474132)
    • (2008) Journal of Chemical Physics , vol.128 , Issue.12 , pp. 125103
    • Siu, S.W.I.1    Vacha, R.2    Jungwirth, P.3    Bockmann, R.A.4
  • 73
    • 53549100466 scopus 로고    scopus 로고
    • JPCCCK 1932-7447,. 10.1021/jp712136e
    • G. L. Warren and S. Patel, J. Phys. Chem. C JPCCCK 1932-7447 112, 7455 (2008). 10.1021/jp712136e
    • (2008) J. Phys. Chem. C , vol.112 , pp. 7455
    • Warren, G.L.1    Patel, S.2
  • 74
    • 50549085702 scopus 로고    scopus 로고
    • JPCBFK 1089-5647, () 10.1021/jp7114912;
    • L. B. Li, I. Vorobyov, and T. W. Allen, J. Phys. Chem. B JPCBFK 1089-5647 112, 9574 (2008) 10.1021/jp7114912;
    • (2008) J. Phys. Chem. B , vol.112 , pp. 9574
    • Li, L.B.1    Vorobyov, I.2    Allen, T.W.3


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