{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,14]],"date-time":"2025-10-14T06:58:13Z","timestamp":1760425093074},"reference-count":61,"publisher":"American Chemical Society (ACS)","issue":"6","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. B"],"published-print":{"date-parts":[[2012,2,16]]},"DOI":"10.1021\/jp210786j","type":"journal-article","created":{"date-parts":[[2012,1,19]],"date-time":"2012-01-19T20:41:57Z","timestamp":1327005717000},"page":"1843-1849","source":"Crossref","is-referenced-by-count":9,"title":["Transfer of the K<sup>+<\/sup> Cation Across a Water\/Dichloromethane Interface: A Steered Molecular Dynamics Study with Implications in Cation Extraction"],"prefix":"10.1021","volume":"116","author":[{"given":"M\u00e1rio","family":"Valente","sequence":"first","affiliation":[{"name":"REQUIMTE\r- Departamento de Qu\u00edmica\re Bioqu\u00edmica, Faculdade de Ci\u00eancias, Universidade do Porto, Rua Campo Alegre s\/n, 4169-007,\rPorto, Portugal"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"S\u00e9rgio Filipe","family":"Sousa","sequence":"additional","affiliation":[{"name":"REQUIMTE\r- Departamento de Qu\u00edmica\re Bioqu\u00edmica, Faculdade de Ci\u00eancias, Universidade do Porto, Rua Campo Alegre s\/n, 4169-007,\rPorto, Portugal"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"A. L.","family":"Magalh\u00e3es","sequence":"additional","affiliation":[{"name":"REQUIMTE\r- Departamento de Qu\u00edmica\re Bioqu\u00edmica, Faculdade de Ci\u00eancias, Universidade do Porto, Rua Campo Alegre s\/n, 4169-007,\rPorto, Portugal"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Cristina","family":"Freire","sequence":"additional","affiliation":[{"name":"REQUIMTE\r- Departamento de Qu\u00edmica\re Bioqu\u00edmica, Faculdade de Ci\u00eancias, Universidade do Porto, Rua Campo Alegre s\/n, 4169-007,\rPorto, Portugal"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2012,2,8]]},"reference":[{"key":"ref1\/cit1","first-page":"1350","volume":"106","author":"Chang T.-M.","year":"2006","journal-title":"Chem. Rev."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"2705","DOI":"10.1039\/f19898502705","volume":"85","author":"de Namor A. F. D.","year":"1989","journal-title":"J. Chem. Soc. Faraday Trans. 1"},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"4355","DOI":"10.1039\/b004703l","volume":"2","author":"de Namor A. F. D.","year":"2000","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"1230","DOI":"10.1007\/s10953-010-9579-9","volume":"39","author":"Valente M.","year":"2010","journal-title":"J. Sol. Chem."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"10113","DOI":"10.1063\/1.478884","volume":"110","author":"Dang L. X.","year":"1999","journal-title":"J. Chem. Phys."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"804","DOI":"10.1021\/jp003991b","volume":"105","author":"Dang L. X.","year":"2001","journal-title":"J. Phys. Chem. B"},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"8832","DOI":"10.1021\/jp067176t","volume":"111","author":"Hore D. K.","year":"2007","journal-title":"J. Phys. Chem. C"},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"19263","DOI":"10.1021\/jp906290b","volume":"113","author":"Hantal G.","year":"2009","journal-title":"J. Phys. Chem. C"},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"6109","DOI":"10.1063\/1.476021","volume":"108","author":"van Gunsteren W. F.","year":"1998","journal-title":"J. Chem. Phys."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"2690","DOI":"10.1103\/PhysRevLett.78.2690","volume":"78","author":"Jarzynski C.","year":"1977","journal-title":"Phys. Rev. Lett."},{"key":"ref11\/cit11","author":"Duzman D. L.","year":"2011","journal-title":"Proc. Natl. Acad. Sci."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"662","DOI":"10.1016\/S0006-3495(98)77556-3","volume":"75","author":"Lu H.","year":"1998","journal-title":"Biophys. J."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"901","DOI":"10.1039\/b700764g","volume":"31","author":"Pappalardo M.","year":"2007","journal-title":"New. J. Chem."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"3026","DOI":"10.1021\/ct100320g","volume":"6","author":"Ozer G.","year":"2010","journal-title":"J. Chem. Theory Comput."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"e13068","DOI":"10.1371\/journal.pone.0013068","volume":"5","author":"Ho B. K.","year":"2010","journal-title":"PLoS ONE"},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"5946","DOI":"10.1063\/1.1651473","volume":"120","author":"Park S.","year":"2004","journal-title":"J. Chem. Phys."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"5","DOI":"10.1016\/S0006-3495(03)74449-X","volume":"85","author":"Hummer G.","year":"2003","journal-title":"Biophys. J."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"3658","DOI":"10.1073\/pnas.071034098","volume":"98","author":"Hummer G","year":"2001","journal-title":"Proc. Nat. Acad. Sci."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"4087","DOI":"10.1021\/jp0716738","volume":"112","author":"Liu X.","year":"2008","journal-title":"J. Phys. Chem. B"},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"23730","DOI":"10.1021\/jp0552877","volume":"109","author":"Niu C.","year":"2005","journal-title":"J. Phys. Chem. B"},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"10194","DOI":"10.1021\/jp8006766","volume":"112","author":"Caballero J.","year":"2008","journal-title":"J. Phys. Chem. B"},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"10741","DOI":"10.1021\/jp803403c","volume":"112","author":"Mart\u00ednez L.","year":"2008","journal-title":"J. Phys. Chem. B"},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"e8470","DOI":"10.1371\/journal.pone.0008470","volume":"4","author":"Yang L.-J.","year":"2009","journal-title":"PLoS ONE"},{"key":"ref24\/cit24","first-page":"255238","volume":"20","author":"Hanasaki I.","year":"2008","journal-title":"J. Phys.: Condens. Matter"},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"355","DOI":"10.1007\/BF02990895","volume":"47","author":"Yechun X.","year":"2004","journal-title":"Sci. Chin. B Chem."},{"key":"ref26\/cit26","first-page":"S1627","volume":"17","author":"Orzechowski M","year":"2005","journal-title":"J. Phys.: Condens. Matter"},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"7599","DOI":"10.1073\/pnas.1331150100","volume":"100","author":"Amaro R.","year":"2003","journal-title":"Proc. Natl. Acad. Sci."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"1211","DOI":"10.1021\/jp107933k","volume":"115","author":"Bizzarri A. R.","year":"2011","journal-title":"J. Phys. Chem. B"},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"21327","DOI":"10.1021\/jp064192h","volume":"110","author":"Tepper H. L.","year":"2006","journal-title":"J. Phys. Chem. B"},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"12789","DOI":"10.1021\/jp060688n","volume":"110","author":"Liu Z.","year":"2006","journal-title":"J. Phys. Chem. B"},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"6731","DOI":"10.1073\/pnas.102649299","volume":"99","author":"Jensen M. \u00d8.","year":"2002","journal-title":"Proc. Natl. Acad. Sci."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"325","DOI":"10.1016\/S0014-5793(04)00271-6","volume":"564","author":"Monticelli L.","year":"2004","journal-title":"FEBS Lett."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"15241","DOI":"10.1021\/jp201611p","volume":"115","author":"Saito H.","year":"2011","journal-title":"J. Phys. Chem. B"},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"7238","DOI":"10.1021\/jp9817372","volume":"102","author":"Wu X.","year":"1998","journal-title":"J. Phys. Chem. B"},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"3892","DOI":"10.1016\/j.polymer.2008.06.047","volume":"49","author":"Guzm\u00e1n D. L.","year":"2008","journal-title":"Polymer"},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"6940","DOI":"10.1021\/ja0452830","volume":"127","author":"Crespo A.","year":"2005","journal-title":"J. Am. Chem. Soc."},{"key":"ref37\/cit37","author":"Valente M.","journal-title":"Theor. Chem. Acc."},{"key":"ref38\/cit38","unstructured":"Case, D. A.; Darden, T.; Cheatham, T.; Simmerling, C. L.; Wang, J.; Duke, R. E.; Luo, R.; Merz, K. M.; Perlman, D. A.; Crowley, M.AMBER 9;University of California:San Francisco, CA, 2006."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"77","DOI":"10.1016\/j.theochem.2009.10.025","volume":"946","author":"Valente M.","year":"2010","journal-title":"J. Molec. Struct. TEOCHEM"},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"681","DOI":"10.1007\/s00214-010-0778-7","volume":"127","author":"Valente M.","year":"2010","journal-title":"Theor. Chem. Acc."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"1157","DOI":"10.1002\/jcc.20035","volume":"25","author":"Wang J.","year":"2004","journal-title":"J. Comput. Chem."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"8021","DOI":"10.1021\/j100384a009","volume":"94","author":"\u00c5qvist J.","year":"1990","journal-title":"J. Phys. Chem."},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"8070","DOI":"10.1021\/jp9717655","volume":"102","author":"Fox T.","year":"1998","journal-title":"J. Phys. Chem. B"},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"926","DOI":"10.1063\/1.445869","volume":"79","author":"Jorgensen W. L.","year":"1983","journal-title":"J. Chem. Phys."},{"key":"ref45\/cit45","first-page":"61","volume":"176","author":"Matababbir K. A.","year":"2006","journal-title":"Chem. Phys. Lett."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"235","DOI":"10.1021\/jp011853w","volume":"106","author":"Dang L. X.","year":"2002","journal-title":"J. Phys. Chem. B"},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"10610","DOI":"10.1021\/jp900789v","volume":"113","author":"Sieffert N.","year":"2009","journal-title":"J. Phys. Chem. C"},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"13027","DOI":"10.1021\/jp026209b","volume":"106","author":"Cascella M.","year":"2002","journal-title":"J Phys Chem B"},{"key":"ref49\/cit49","volume-title":"Gaussian 03","author":"Frisch M. J.","year":"2004"},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"3233","DOI":"10.1063\/1.453919","volume":"88","author":"Matsumoto M.","year":"1988","journal-title":"J. Chem. Phys."},{"key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"229","DOI":"10.1016\/j.cplett.2009.01.005","volume":"469","author":"Benjamin I.","year":"2009","journal-title":"Chem. Phys. Lett."},{"key":"ref52\/cit52","doi-asserted-by":"crossref","first-page":"10772","DOI":"10.1021\/jp981869v","volume":"102","author":"Muzet N.","year":"1998","journal-title":"J. Phys. Chem. B"},{"key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"552","DOI":"10.1002\/chem.19970030410","volume":"3","author":"Varnek A.","year":"1997","journal-title":"Chem.\u2014Eur. J."},{"key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"10252","DOI":"10.1063\/1.469927","volume":"103","author":"Zhang Y.","year":"1995","journal-title":"J. Chem. Phys."},{"key":"ref55\/cit55","doi-asserted-by":"crossref","first-page":"143","DOI":"10.1016\/0022-1902(81)80451-4","volume":"43","author":"Abrahams M. H.","year":"1981","journal-title":"J. Inorg. Nucl. Chem."},{"key":"ref56\/cit56","doi-asserted-by":"crossref","first-page":"1006","DOI":"10.1021\/jo902388n","volume":"75","author":"Abrahams M. H.","year":"2010","journal-title":"J. Org. Chem."},{"key":"ref57\/cit57","doi-asserted-by":"crossref","first-page":"1449","DOI":"10.1021\/cr950230+","volume":"96","author":"Benjamin I.","year":"1996","journal-title":"Chem. Rev."},{"key":"ref58\/cit58","doi-asserted-by":"crossref","first-page":"9632","DOI":"10.1021\/ja00074a031","volume":"115","author":"Tsai R.-S.","year":"1993","journal-title":"J. Am. Chem. Soc."},{"key":"ref59\/cit59","doi-asserted-by":"crossref","first-page":"329","DOI":"10.1021\/j100052a054","volume":"98","author":"Fan W.","year":"1994","journal-title":"J. Phys. Chem."},{"key":"ref60\/cit60","doi-asserted-by":"crossref","first-page":"832","DOI":"10.1126\/science.1122154","volume":"311","author":"Laage D.","year":"2006","journal-title":"Science"},{"key":"ref61\/cit61","doi-asserted-by":"crossref","first-page":"16455","DOI":"10.1021\/jp051836x","volume":"109","author":"Chorny I.","year":"2005","journal-title":"J. Phys. Chem. B"}],"container-title":["The Journal of Physical Chemistry B"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/jp210786j","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,22]],"date-time":"2023-04-22T06:09:57Z","timestamp":1682143797000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/jp210786j"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2012,2,8]]},"references-count":61,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2012,2,16]]}},"alternative-id":["10.1021\/jp210786j"],"URL":"https:\/\/doi.org\/10.1021\/jp210786j","relation":{},"ISSN":["1520-6106","1520-5207"],"issn-type":[{"value":"1520-6106","type":"print"},{"value":"1520-5207","type":"electronic"}],"subject":[],"published":{"date-parts":[[2012,2,8]]}}}