{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T14:00:37Z","timestamp":1790863237643,"version":"4.1.0"},"reference-count":46,"publisher":"American Chemical Society (ACS)","issue":"39","license":[{"start":{"date-parts":[[2026,9,21]],"date-time":"2026-09-21T00:00:00Z","timestamp":1789948800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,9,21]],"date-time":"2026-09-21T00:00:00Z","timestamp":1789948800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,9,21]],"date-time":"2026-09-21T00:00:00Z","timestamp":1789948800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100000704","name":"Royal Society of Chemistry","doi-asserted-by":"publisher","award":["R20-7878"],"award-info":[{"award-number":["R20-7878"]}],"id":[{"id":"10.13039\/501100000704","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,10,1]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>The relative contributions of hydrophobic interactions and hydrogen bonding in cyclodextrin host\u2013guest systems remain a fundamental challenge in supramolecular chemistry. In the present study, a series of pyromellitic diimide (PMDI) derivatives bearing alkyl substituents of different sizes was employed to investigate the origin of rim-binding interactions with \u03b2-cyclodextrin (\u03b2-CD). NMR, ROESY and ICD studies established that PMDIs interact with \u03b2-CD through the narrow rim, with the alkyl substituents penetrating the cavity. The PMDI chromophore remained outside the cavity of the \u03b2-CD. In contrast, \u03b1-cyclodextrin (\u03b1-CD) complexes underwent shallow binding through their wider rim. The 13C NMR experiments revealed the presence of hydrogen-bonding interactions between PMDI carbonyl oxygens and the primary hydroxyl groups of \u03b2-CD. DFT calculations reproduced the experimentally observed binding geometries for both \u03b1- and \u03b2-CDs. NCI-RDG, NBO and QTAIM analyses confirmed the coexistence of hydrogen-bonding and weak dispersive\/van der Waals contacts that are structurally consistent with hydrophobic inclusion. The computational studies also showed that \u03b2-CD complexes exhibited stronger hydrogen bonds than the corresponding \u03b1-CD complexes. Temperature-dependent ITC revealed distinct thermodynamic signatures for the two cyclodextrins. The \u03b1-CD complexes displayed small positive or near-zero heat-capacity changes and strongly entropy-driven binding, indicating shallow association dominated by solvent release and weak hydrophobic interactions. In contrast, \u03b2-CD complexes showed a systematic transition from hydrogen-bond-dominated binding for H-PMDI to cooperative weak dispersive\/van der Waals interactions and hydrogen-bond stabilization for tert-butyl-substituted PMDI. The heat-capacity changes and enthalpy\u2013entropy compensation behavior collectively demonstrated that the relative contributions of hydrophobic interactions and hydrogen bonding can be tuned through the size of the alkyl substituent and the cyclodextrin cavity.<\/jats:p>","DOI":"10.1021\/acs.jpcb.6c04529","type":"journal-article","created":{"date-parts":[[2026,9,21]],"date-time":"2026-09-21T18:02:02Z","timestamp":1790013722000},"page":"10361-10370","source":"Crossref","is-referenced-by-count":0,"title":["Dissecting Hydrophobic and Hydrogen-Bonding Contributions\nin the Rim Binding of Pyromellitic Diimides to \u03b2-Cyclodextrin"],"prefix":"10.1021","volume":"130","author":[{"given":"Saranya C.","family":"Sasi","sequence":"first","affiliation":[{"name":"Government College for Women , , , ,","place":["Thiruvananthapuram, Kerala, India, 695014"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sneha Anna","family":"Sunny","sequence":"additional","affiliation":[{"name":"St Berchmans College (Autonomous) , , , ,","place":["Changanassery, Kerala, India, 686101"]},{"name":"St Berchmans College (Autonomous) , , , ,","place":["Changanassery, Kerala, India, 686101"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Akhil K.","family":"Sivan","sequence":"additional","affiliation":[{"name":"Cochin University of Science & Technology , , ,","place":["Kochi, Kerala, India, 682022"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0011-633X","authenticated-orcid":true,"given":"Renjith","family":"Thomas","sequence":"additional","affiliation":[{"name":"St Berchmans College (Autonomous) , , , ,","place":["Changanassery, Kerala, India, 686101"]},{"name":"St Berchmans College (Autonomous) , , , ,","place":["Changanassery, Kerala, India, 686101"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9564-1027","authenticated-orcid":true,"given":"Retheesh","family":"Krishnan","sequence":"additional","affiliation":[{"name":"Government College for Women , , , ,","place":["Thiruvananthapuram, Kerala, India, 695014"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,9,21]]},"reference":[{"key":"2026100109061702000_cit1","doi-asserted-by":"publisher","first-page":"3671","DOI":"10.3390\/ijms14023671","article-title":"Synthesis and Characterization\nof the Inclusion Complex of \u03b2-cyclodextrin and Azomethine","volume":"14","author":"Sambasevam","year":"2013","journal-title":"Int. J. Mol. Sci."},{"key":"2026100109061702000_cit2","doi-asserted-by":"publisher","first-page":"762","DOI":"10.1021\/ja00522a054","article-title":"Improved Acylation\nRates within Cyclodextrin Complexes from Flexible Capping of the Cyclodextrin\nand from Adjustment of the Substrate Geometry","volume":"102","author":"Breslow","year":"1980","journal-title":"J. Am. Chem. Soc."},{"key":"2026100109061702000_cit3","doi-asserted-by":"publisher","first-page":"1997","DOI":"10.1021\/cr970011j","article-title":"Biomimetic Reactions\nCatalyzed by Cyclodextrins and\nTheir Derivatives","volume":"98","author":"Breslow","year":"1998","journal-title":"Chem. Rev."},{"key":"2026100109061702000_cit4","doi-asserted-by":"publisher","first-page":"3911","DOI":"10.1002\/chem.201002541","article-title":"Regioselective Double Capping of\nCyclodextrin Scaffolds","volume":"17","author":"Gramage-Doria","year":"2011","journal-title":"Chem.\u2500Eur. J."},{"key":"2026100109061702000_cit5","doi-asserted-by":"publisher","first-page":"2286","DOI":"10.1016\/j.carres.2007.05.002","article-title":"Supramolecular\nself-assembly of b-cyclodextrin: an\neffective carrier of the antimicrobial agent chlorhexidine","volume":"342","author":"Denadai","year":"2007","journal-title":"Carbohydr. Res."},{"key":"2026100109061702000_cit6","doi-asserted-by":"publisher","first-page":"1877","DOI":"10.1021\/jp9726854","article-title":"Spectral and photophysical studies\nof the 1:3 (guest\/host) rotaxane-like inclusion complex formed by\na 3 H-indole and \u03b2-cyclodextrin","volume":"102","author":"Shen","year":"1998","journal-title":"J. Phys.\nChem. B"},{"key":"2026100109061702000_cit7","doi-asserted-by":"publisher","first-page":"1875","DOI":"10.1021\/cr970015o","article-title":"Complexation thermodynamics\nof cyclodextrins","volume":"98","author":"Rekharsky","year":"1998","journal-title":"Chem. Rev."},{"key":"2026100109061702000_cit8","doi-asserted-by":"publisher","first-page":"10940","DOI":"10.1021\/cr500081p","article-title":"history\nof cyclodextrins","volume":"114","author":"Crini","year":"2014","journal-title":"Chem. Rev."},{"issue":"251","key":"2026100109061702000_cit9","doi-asserted-by":"publisher","first-page":"116871","DOI":"10.1016\/j.carbpol.2020.116871","article-title":"Smart stimuli-responsive drug delivery systems based\non cyclodextrin: A review","volume":"251","author":"Tian","year":"2021","journal-title":"Carbohydr. Polym."},{"key":"2026100109061702000_cit10","doi-asserted-by":"publisher","first-page":"116401","DOI":"10.1016\/j.carbpol.2020.116401","article-title":"Cyclodextrin\nas a magic switch in covalent and non-covalent\nanticancer drug release systems","volume":"242","author":"Tian","year":"2020","journal-title":"Carbohydr.\nPolym."},{"key":"2026100109061702000_cit11","doi-asserted-by":"publisher","first-page":"121500","DOI":"10.1016\/j.carbpol.2023.121500","article-title":"Review: Cyclodextrins\nand derivatives in drug delivery: New developments, relevant clinical\ntrials, and advanced products","volume":"324","author":"Kali","year":"2024","journal-title":"Carbohydr. Polym."},{"key":"2026100109061702000_cit12","doi-asserted-by":"publisher","first-page":"124485","DOI":"10.1016\/j.ijpharm.2024.124485","article-title":"Cyclodextrin in drug delivery: Exploring\nscaffolds, properties, and\ncutting-edge applications","volume":"662","author":"Singh","year":"2024","journal-title":"Int. J. Pharm."},{"issue":"5","key":"2026100109061702000_cit13","doi-asserted-by":"publisher","first-page":"3598","DOI":"10.1021\/acssuschemeng.6b02886","article-title":"Catalysis in Cyclodextrin-Based\nUnconventional\nReaction Media: Recent Developments and Future Opportunities","volume":"5","author":"Hapiot","year":"2017","journal-title":"ACS Sustainable Chem. Eng."},{"issue":"7","key":"2026100109061702000_cit14","doi-asserted-by":"publisher","first-page":"1676","DOI":"10.1021\/ja963769d","article-title":"Ester Hydrolysis by a Catalytic Cyclodextrin\nDimer\nEnzyme Mimic with a Metallobipyridyl Linking Group","volume":"119","author":"Zhang","year":"1997","journal-title":"J. Am. Chem. Soc."},{"key":"2026100109061702000_cit15","doi-asserted-by":"publisher","DOI":"10.1002\/aoc.7365","article-title":"The recent development of \u03b2-cyclodextrin-based\ncatalysts system in click reactions: A review","volume":"38","author":"Payamifar","year":"2024","journal-title":"Appl. Organomet. Chem."},{"key":"2026100109061702000_cit16","doi-asserted-by":"publisher","first-page":"987","DOI":"10.1007\/s10953-010-9564-3","article-title":"Molecular\nRecognition of Bridged\nBis (\u03b2-cyclodextrin) Linked by the 4, 4\u2032-Diaminodiphenyl\nSulfone Tether with Non-aromatic Oligopeptides","volume":"39","author":"Zhao","year":"2010","journal-title":"J. Solution Chem."},{"key":"2026100109061702000_cit17","doi-asserted-by":"publisher","first-page":"300","DOI":"10.1021\/bc034230p","article-title":"Molecular binding\nbehavior of pyridine-2, 6-dicarboxamide-bridged\nbis (\u03b2-cyclodextrin) with oligopeptides: switchable molecular\nbinding mode","volume":"15","author":"Liu","year":"2004","journal-title":"Bioconjugate Chem."},{"key":"2026100109061702000_cit18","doi-asserted-by":"publisher","first-page":"2565","DOI":"10.1039\/C5CC09676F","article-title":"Discovery\nof a non classic host guest complexation mode in a \u03b2-cyclodextrin\/propionic\nacid model","volume":"52","author":"Rutenberg","year":"2016","journal-title":"Chem. Commun."},{"key":"2026100109061702000_cit19","doi-asserted-by":"publisher","first-page":"300","DOI":"10.1021\/bc034230p","article-title":"Molecular binding behavior of pyridine-2, 6-dicarboxamide-bridged\nbis (\u03b2-cyclodextrin) with oligopeptides: switchable molecular\nbinding mode","volume":"15","author":"Liu","year":"2004","journal-title":"Bioconjugate Chem."},{"key":"2026100109061702000_cit20","doi-asserted-by":"publisher","first-page":"39","DOI":"10.1023\/B:JIPH.0000003923.92981.0f","article-title":"Crystal structures of \u03b2-cyclodextrin\ncomplexes with formic acid and acetic acid","volume":"47","author":"Aree","year":"2003","journal-title":"J. Inclusion Phenom. Macrocyclic Chem."},{"key":"2026100109061702000_cit21","doi-asserted-by":"publisher","first-page":"25004","DOI":"10.1021\/jp309788z","article-title":"Study of\n\u03b2-cyclodextrin\u2013Pyromellitic\ndiimide complexation. Conformational analysis of binary and ternary\ncomplex structures by induced circular dichroism and 2D NMR spectroscopies","volume":"116","author":"Krishnan","year":"2012","journal-title":"J. Phys. Chem. C"},{"key":"2026100109061702000_cit22","doi-asserted-by":"publisher","first-page":"11451","DOI":"10.1002\/chem.201802090","article-title":"Effect of N-Alkyl Substituents on\nthe Hierarchical Self-Assembly of \u03b2-Cyclodextrin-Linked Pyrene-Pyromellitic\nDiimide Charge-Transfer Complexes","volume":"24","author":"Krishnan","year":"2018","journal-title":"Chem.\u2500Eur.\nJ."},{"key":"2026100109061702000_cit23","doi-asserted-by":"publisher","first-page":"2094","DOI":"10.1021\/jz2009117","article-title":"\u03b2-Cyclodextrin\nas an End-to-End Connector","volume":"2","author":"Krishnan","year":"2011","journal-title":"J. Phys. Chem. Lett."},{"key":"2026100109061702000_cit24","doi-asserted-by":"publisher","first-page":"2709","DOI":"10.1021\/ol0709073","article-title":"Interaction of pyromellitic diimide\nderivatives with \u03b2-cyclodextrin and anthracene-appended \u03b2-cyclodextrin:\nrim binding vs inclusion complexation","volume":"9","author":"Balan","year":"2007","journal-title":"Org.\nLett."},{"issue":"15","key":"2026100109061702000_cit25","doi-asserted-by":"publisher","first-page":"4234","DOI":"10.1021\/acs.jpcb.6c00517","article-title":"Exploring\nthe Role of Hydrogen Bonding in Cyclodextrin - Naphthalenediimide\nBinding Orientation","volume":"130","author":"Sasi","year":"2026","journal-title":"J. Phys. Chem. B"},{"issue":"5","key":"2026100109061702000_cit26","doi-asserted-by":"publisher","first-page":"3169","DOI":"10.1021\/la903103w","article-title":"Chemically Responsive\nSupramolecular Assemblies of Pyrene-\u03b2-Cyclodextrin Dimer","volume":"26","author":"Ogoshi","year":"2010","journal-title":"Langmuir"},{"key":"2026100109061702000_cit27","doi-asserted-by":"publisher","first-page":"411","DOI":"10.1016\/j.carbpol.2019.03.017","article-title":"Construction of \u03b2-cyclodextrin-based supramolecular\nhyperbranched polymers self-assemblies using AB2-type macromonomer\nand their application in the drug delivery field","volume":"213","author":"Bai","year":"2019","journal-title":"Carbohydr. Polym."},{"key":"2026100109061702000_cit28","doi-asserted-by":"publisher","first-page":"18572","DOI":"10.1039\/D0RA02123G","article-title":"Multiple-responsive\nsupramolecular vesicle based on azobenzene\u2013cyclodextrin host\u2013guest\ninteraction","volume":"10","author":"Wang","year":"2020","journal-title":"RSC Adv."},{"issue":"37","key":"2026100109061702000_cit29","doi-asserted-by":"publisher","first-page":"10056","DOI":"10.1021\/acs.jafc.0c03748","article-title":"Supramolecular Hydrogels with Chiral Nanofibril Structures\nFormed from \u03b2-Cyclodextrin and a Rosin-Based Amino Acid Surfactant","volume":"68","author":"Wang","year":"2020","journal-title":"J. Agric. Food Chem."},{"issue":"4\u20135","key":"2026100109061702000_cit30","doi-asserted-by":"publisher","first-page":"499","DOI":"10.1016\/0009-2614(92)85807-M","article-title":"The Performance\nof the Becke-Lee-Yang-Parr (B-LYP) Density Functional Theory with\nVarious Basis Sets","volume":"197","author":"Gill","year":"1992","journal-title":"Chem. Phys. Lett."},{"issue":"2","key":"2026100109061702000_cit31","doi-asserted-by":"publisher","first-page":"1358","DOI":"10.1063\/1.464303","article-title":"Gaussian Basis Sets\nfor Use in Correlated Molecular\nCalculations. III. The Atoms Aluminum through Argon","volume":"98","author":"Woon","year":"1993","journal-title":"J. Chem. Phys."},{"key":"2026100109061702000_cit32","unstructured":"Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, J. M.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, O\u0308.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J.\n          Gaussian 09 Revision E.01; Gaussian Inc., 2009."},{"key":"2026100109061702000_cit33","unstructured":"Dennington, R.; Keith, T. A.; Millam, J. M.\n          GaussView Version\n6; Semichem Inc., 2019."},{"issue":"18","key":"2026100109061702000_cit34","doi-asserted-by":"publisher","first-page":"6378","DOI":"10.1021\/jp810292n","article-title":"Universal\nSolvation Model Based on\nSolute Electron Density and on a Continuum Model of the Solvent Defined\nby the Bulk Dielectric Constant and Atomic Surface Tensions","volume":"113","author":"Marenich","year":"2009","journal-title":"J. Phys. Chem. B"},{"key":"2026100109061702000_cit35","doi-asserted-by":"publisher","first-page":"116683","DOI":"10.1016\/j.optmat.2025.116683","article-title":"Molecular\nStructure, Vibrational Spectral Assignments, MEP, HOMO-LUMO, AIM,\nNCI, RDG, ELF, LOL Properties of Acetophenone and for Its Solutions\nBased on DFT Calculations","volume":"159","author":"Jumabaev","year":"2025","journal-title":"Opt. Mater."},{"issue":"1","key":"2026100109061702000_cit36","doi-asserted-by":"publisher","first-page":"117","DOI":"10.1080\/08927022.2022.2126865","article-title":"Atomistica Online \u2013 Web Application\nfor Generating\nInput Files for ORCA Molecular Modelling Package Made with the Anvil\nPlatform","volume":"49","author":"Armakovic\u0301","year":"2023","journal-title":"Mol. Simul."},{"issue":"3","key":"2026100109061702000_cit37","doi-asserted-by":"publisher","first-page":"399","DOI":"10.1080\/0144235X.2016.1192262","article-title":"What Is\nNBO Analysis and How Is It\nUseful?","volume":"35","author":"Weinhold","year":"2016","journal-title":"Int. Rev. Phys. Chem."},{"key":"2026100109061702000_cit38","doi-asserted-by":"publisher","DOI":"10.1017\/CBO9780511614569","volume-title":"Valency and Bonding:\nA Natural Bond Orbital Donor-Acceptor Perspective","author":"Weinhold","year":"2003","edition":"1"},{"key":"2026100109061702000_cit39","doi-asserted-by":"publisher","first-page":"138287","DOI":"10.1016\/j.molstruc.2024.138287","article-title":"Synthesis\nCrystal Structure, DFT\nCalculations, NBO, Fukui Function, NCI-RDG, Hirshfeld Surface Analysis,\nNLO Properties and Molecular Docking Analysis on (E)-N\u2019-(3-Methoxybenzylidene)-2-(Quinolin-8-Yloxy)\nAcetohydrazide","volume":"1310","author":"Chebli","year":"2024","journal-title":"J. Mol. Struct."},{"key":"2026100109061702000_cit40","doi-asserted-by":"publisher","first-page":"142873","DOI":"10.1016\/j.molstruc.2025.142873","article-title":"Design, Synthesis\nand Multifunctional Bioactivity Evaluation of a Novel Dipyrazolo[1,5]Diazocine-3,8-dione\nDerivative Insights from XRD, Hirshfeld Surface Analysis Surface,\nDFT Studies, NBO, QTAIM, and Molecular Docking","volume":"1343","author":"Kassi","year":"2025","journal-title":"J. Mol. Struct."},{"issue":"10","key":"2026100109061702000_cit41","doi-asserted-by":"publisher","first-page":"1873","DOI":"10.1021\/jp9805048","article-title":"Characterization\nof a Dihydrogen Bond on the Basis of the Electron Density","volume":"102","author":"Popelier","year":"1998","journal-title":"J. Phys. Chem. A"},{"issue":"3\u20134","key":"2026100109061702000_cit42","doi-asserted-by":"publisher","first-page":"170","DOI":"10.1016\/S0009-2614(98)00036-0","article-title":"Hydrogen Bond Strengths Revealed\nby Topological Analyses of Experimentally Observed Electron Densities","volume":"285","author":"Espinosa","year":"1998","journal-title":"Chem. Phys. Lett."},{"issue":"1","key":"2026100109061702000_cit43","doi-asserted-by":"publisher","first-page":"33","DOI":"10.1016\/0263-7855(96)00018-5","article-title":"VMD: Visual Molecular\nDynamics","volume":"14","author":"Humphrey","year":"1996","journal-title":"J. Mol. Graphics"},{"key":"2026100109061702000_cit44","volume-title":"Atoms in Molecules:\nA Quantum Theory; The International Series of Monographs on Chemistry","author":"Bader","year":"1994"},{"key":"2026100109061702000_cit45","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202207521","article-title":"Hydrogen bonding\ndirected reversal of 13C NMR chemical shielding","volume":"134","author":"Jena","year":"2022","journal-title":"Angew. Chem., Int. Ed."},{"key":"2026100109061702000_cit46","doi-asserted-by":"publisher","first-page":"2144","DOI":"10.1016\/S0006-3495(96)79415-8","article-title":"Thermodynamics of Hydrogen Bond and Hydrophobic Interactions\nin Cyclodextrin Complexes","volume":"71","author":"Ross","year":"1996","journal-title":"Biophys. J."}],"container-title":["The Journal of Physical Chemistry B"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpcb.6c04529","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/jpcbfk\/article-pdf\/130\/39\/10361\/68583699\/acs.jpcb.6c04529.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.acs.org\/jpcbfk\/article-pdf\/130\/39\/10361\/68583699\/acs.jpcb.6c04529.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T13:23:49Z","timestamp":1790861029000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/jpcbfk\/article\/130\/39\/10361\/5434441\/Dissecting-Hydrophobic-and-Hydrogen-Bonding"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,9,21]]},"references-count":46,"journal-issue":{"issue":"39","published-online":{"date-parts":[[2026,9,21]]},"published-print":{"date-parts":[[2026,10,1]]}},"URL":"https:\/\/doi.org\/10.1021\/acs.jpcb.6c04529","relation":{},"ISSN":["1520-6106","1520-5207"],"issn-type":[{"value":"1520-6106","type":"print"},{"value":"1520-5207","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,9,21]]}}}