{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,17]],"date-time":"2026-10-17T10:02:18Z","timestamp":1792231338682,"version":"4.4.0"},"reference-count":103,"publisher":"American Chemical Society (ACS)","issue":"36","license":[{"start":{"date-parts":[[2025,10,7]],"date-time":"2025-10-07T00:00:00Z","timestamp":1759795200000},"content-version":"vor","delay-in-days":41,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100006206","name":"Biological and Environmental Research","doi-asserted-by":"publisher","award":["DE-SC0018409"],"award-info":[{"award-number":["DE-SC0018409"]}],"id":[{"id":"10.13039\/100006206","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. B"],"published-print":{"date-parts":[[2025,9,11]]},"DOI":"10.1021\/acs.jpcb.5c02943","type":"journal-article","created":{"date-parts":[[2025,8,27]],"date-time":"2025-08-27T11:44:36Z","timestamp":1756295076000},"page":"9175-9189","source":"Crossref","is-referenced-by-count":13,"title":["Effect of Solvents on Lignin\u2013Surface Interactions via Molecular Dynamics Simulations"],"prefix":"10.1021","volume":"129","author":[{"given":"Juriti","family":"Rajbangshi","sequence":"first","affiliation":[{"name":"Department of Chemical and Biological Engineering","place":["Madison, United States"]},{"name":"University of Wisconsin\u2013Madison","place":["Madison, United States"]},{"name":"DOE Great Lakes Bioenergy Research Center","place":["Madison, United States"]},{"name":"University of Wisconsin\u2212Madison","place":["Madison, United States"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Canan","family":"Sener","sequence":"additional","affiliation":[{"name":"DOE Great Lakes Bioenergy Research Center","place":["Madison, United States"]},{"name":"University of Wisconsin\u2212Madison","place":["Madison, United States"]},{"name":"Wisconsin Energy Institute","place":["Madison, United States"]},{"name":"University of Wisconsin-Madison","place":["Madison, United States"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4885-6599","authenticated-orcid":true,"given":"Reid C.","family":"Van Lehn","sequence":"additional","affiliation":[{"name":"Department of Chemical and Biological Engineering","place":["Madison, United States"]},{"name":"University of Wisconsin\u2013Madison","place":["Madison, United States"]},{"name":"DOE Great Lakes Bioenergy Research Center","place":["Madison, United States"]},{"name":"University of Wisconsin\u2212Madison","place":["Madison, United States"]},{"name":"Department of Chemistry","place":["Madison, United States"]},{"name":"University of Wisconsin\u2212Madison","place":["Madison, United States"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2025,8,27]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1007\/s13399-021-02266-3"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.5b00155"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1039\/C5EE01322D"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1039\/C6GC02258H"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1016\/j.rser.2019.03.008"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/j.biortech.2022.126696"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1016\/j.indcrop.2021.113442"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1016\/j.copbio.2016.02.030"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1039\/C6GC03515A"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.7b00588"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1126\/science.1246748"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1039\/C6GC00298F"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/acssuschemeng.6b02892"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1039\/C6GC02473D"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.5b03693"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.3390\/catal11020270"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1002\/cssc.202000330"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1016\/j.jaap.2010.02.009"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1016\/j.jaap.2011.10.002"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/acssuschemeng.7b01130"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/bi101892z"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2015.05.002"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1039\/C5GC01165E"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.3389\/fmicb.2015.00916"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1039\/C7CS00566K"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1039\/D0EE02870C"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1016\/j.biortech.2010.06.140"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1039\/c2ee23741e"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/ja01246a049"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1039\/C6GC02962K"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201403747"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1039\/C4GC01911C"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1002\/cssc.201402017"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1002\/cssc.200800080"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1021\/acssuschemeng.5b01776"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/acssuschemeng.6b01858"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1039\/C5GC01442E"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1039\/C5EE00204D"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1039\/C5CY00490J"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/acssuschemeng.6b01844"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1016\/j.biortech.2011.05.040"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1039\/D1EE01642C"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2015.02.004"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1039\/C5GC03061G"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1039\/C5CC04025F"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1039\/C9GC00986H"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1126\/sciadv.aau2968"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201710838"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1039\/C7GC01324H"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1039\/D1GC03592D"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1016\/j.mcat.2023.113551"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1002\/cssc.202300103"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1039\/C3GC41368C"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1002\/cssc.201200040"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1016\/j.surfrep.2021.100541"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.2c03147"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1016\/j.apcatb.2024.123969"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1021\/acssuschemeng.2c01375"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1021\/acssuschemeng.2c05199"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1039\/C7EE03432F"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1039\/C8RE00226F"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1039\/D4GC00510D"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1021\/acssuschemeng.0c07156"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1039\/C8CP03144D"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1002\/cssc.201501350"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1039\/C5GC01952D"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1002\/cssc.201903132"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1039\/D0GC00630K"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-017-15048-7"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1039\/C8GC01031E"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21367"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.23067"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1063\/1.2121687"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1039\/D2GC03446H"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1021\/acssuschemeng.8b05665"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1039\/C8GC03209B"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","unstructured":"Kohlmeyer, A.; Vermaas, J.; Braun, E.\n                      Akohlmey\/Topotools: Release 1.8\n                      2020 10.5281\/zenodo.3845031.","DOI":"10.5281\/zenodo.3845031"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.6b00103"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.1c00996"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20945"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1021\/la3038846"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1021\/acsnano.2c10953"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20291"},{"key":"ref84\/cit84","unstructured":"Canonical sampling through velocity rescaling\n| The Journal of Chemical\nPhysics | AIP Publishing, https:\/\/pubs.aip.org\/aip\/jcp\/article\/126\/1\/014101\/186581\/Canonical-sampling-through-velocity-rescaling (accessed July 29, 2025)."},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1063\/1.448118"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-987X(199709)18:12<1463::AID-JCC4>3.0.CO;2-H"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1063\/1.464397"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"},{"key":"ref89\/cit89","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21421"},{"key":"ref90\/cit90","doi-asserted-by":"publisher","DOI":"10.1021\/ja900531f"},{"key":"ref91\/cit91","doi-asserted-by":"publisher","DOI":"10.1021\/ct100494z"},{"key":"ref92\/cit92","doi-asserted-by":"publisher","DOI":"10.1038\/s41570-018-0050-6"},{"key":"ref93\/cit93","doi-asserted-by":"publisher","DOI":"10.1201\/9781420006834"},{"key":"ref94\/cit94","doi-asserted-by":"publisher","DOI":"10.1021\/acssuschemeng.9b00494"},{"key":"ref95\/cit95","doi-asserted-by":"publisher","DOI":"10.1021\/acssuschemeng.5b01722"},{"key":"ref96\/cit96","doi-asserted-by":"publisher","DOI":"10.1021\/acs.iecr.9b00875"},{"key":"ref97\/cit97","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540160303"},{"key":"ref98\/cit98","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.3c02085"},{"key":"ref99\/cit99","doi-asserted-by":"publisher","DOI":"10.1021\/acs.langmuir.0c01845"},{"key":"ref100\/cit100","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.5b01733"},{"key":"ref101\/cit101","doi-asserted-by":"publisher","DOI":"10.1021\/acs.langmuir.8b01189"},{"key":"ref102\/cit102","doi-asserted-by":"publisher","DOI":"10.1039\/C5SC00399G"},{"key":"ref103\/cit103","doi-asserted-by":"publisher","DOI":"10.1021\/acs.langmuir.9b02217"}],"container-title":["The Journal of Physical Chemistry B"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpcb.5c02943","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpcb.5c02943","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,7]],"date-time":"2025-10-07T15:30:08Z","timestamp":1759851008000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpcb.5c02943"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,8,27]]},"references-count":103,"journal-issue":{"issue":"36","published-print":{"date-parts":[[2025,9,11]]}},"alternative-id":["10.1021\/acs.jpcb.5c02943"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpcb.5c02943","relation":{"has-preprint":[{"id-type":"doi","id":"10.26434\/chemrxiv-2025-k1vt6","asserted-by":"object"}]},"ISSN":["1520-6106","1520-5207"],"issn-type":[{"value":"1520-6106","type":"print"},{"value":"1520-5207","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,8,27]]}}}