{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,5]],"date-time":"2026-08-05T02:13:43Z","timestamp":1785896023970,"version":"3.56.0"},"reference-count":78,"publisher":"MDPI AG","issue":"12","license":[{"start":{"date-parts":[[2024,12,11]],"date-time":"2024-12-11T00:00:00Z","timestamp":1733875200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100004586","name":"FAPERJ","doi-asserted-by":"publisher","award":["210.778\/2021"],"award-info":[{"award-number":["210.778\/2021"]}],"id":[{"id":"10.13039\/501100004586","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004586","name":"FAPERJ","doi-asserted-by":"publisher","award":["2015\/18390-5"],"award-info":[{"award-number":["2015\/18390-5"]}],"id":[{"id":"10.13039\/501100004586","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004586","name":"FAPERJ","doi-asserted-by":"publisher","award":["2015\/50366-7"],"award-info":[{"award-number":["2015\/50366-7"]}],"id":[{"id":"10.13039\/501100004586","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004586","name":"FAPERJ","doi-asserted-by":"publisher","award":["2023\/04532-9"],"award-info":[{"award-number":["2023\/04532-9"]}],"id":[{"id":"10.13039\/501100004586","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004586","name":"FAPERJ","doi-asserted-by":"publisher","award":["475696\/2013-1"],"award-info":[{"award-number":["475696\/2013-1"]}],"id":[{"id":"10.13039\/501100004586","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004586","name":"FAPERJ","doi-asserted-by":"publisher","award":["306682\/2018-4"],"award-info":[{"award-number":["306682\/2018-4"]}],"id":[{"id":"10.13039\/501100004586","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001807","name":"FAPESP","doi-asserted-by":"publisher","award":["210.778\/2021"],"award-info":[{"award-number":["210.778\/2021"]}],"id":[{"id":"10.13039\/501100001807","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001807","name":"FAPESP","doi-asserted-by":"publisher","award":["2015\/18390-5"],"award-info":[{"award-number":["2015\/18390-5"]}],"id":[{"id":"10.13039\/501100001807","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001807","name":"FAPESP","doi-asserted-by":"publisher","award":["2015\/50366-7"],"award-info":[{"award-number":["2015\/50366-7"]}],"id":[{"id":"10.13039\/501100001807","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001807","name":"FAPESP","doi-asserted-by":"publisher","award":["2023\/04532-9"],"award-info":[{"award-number":["2023\/04532-9"]}],"id":[{"id":"10.13039\/501100001807","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001807","name":"FAPESP","doi-asserted-by":"publisher","award":["475696\/2013-1"],"award-info":[{"award-number":["475696\/2013-1"]}],"id":[{"id":"10.13039\/501100001807","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001807","name":"FAPESP","doi-asserted-by":"publisher","award":["306682\/2018-4"],"award-info":[{"award-number":["306682\/2018-4"]}],"id":[{"id":"10.13039\/501100001807","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003593","name":"CNPq","doi-asserted-by":"publisher","award":["210.778\/2021"],"award-info":[{"award-number":["210.778\/2021"]}],"id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003593","name":"CNPq","doi-asserted-by":"publisher","award":["2015\/18390-5"],"award-info":[{"award-number":["2015\/18390-5"]}],"id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003593","name":"CNPq","doi-asserted-by":"publisher","award":["2015\/50366-7"],"award-info":[{"award-number":["2015\/50366-7"]}],"id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003593","name":"CNPq","doi-asserted-by":"publisher","award":["2023\/04532-9"],"award-info":[{"award-number":["2023\/04532-9"]}],"id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003593","name":"CNPq","doi-asserted-by":"publisher","award":["475696\/2013-1"],"award-info":[{"award-number":["475696\/2013-1"]}],"id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003593","name":"CNPq","doi-asserted-by":"publisher","award":["306682\/2018-4"],"award-info":[{"award-number":["306682\/2018-4"]}],"id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Membranes"],"abstract":"<jats:p>Phase separation is essential for membrane function, and alterations in phase coexistence by membrane-interacting molecules, such as nicotine, can impair membrane stability. With the increasing use of e-cigarettes, concerns have arisen about the impact of nicotine on pulmonary surfactants. Here, we used differential scanning calorimetry (DSC), molecular dynamics (MD) simulations, and electron spin resonance (ESR) to examine nicotine\u2019s effect on the phase coexistence of two surfactant models: pure DPPC and a DPPC\/POPC\/POPG mixture. Our DSC analysis revealed that nicotine interacts with both membranes, increasing enthalpy and entropy change during the phase transition. ESR revealed that nicotine affects membrane fluidity and packing of DPPC more effectively than the ternary mixture, especially near the surface. MD simulations showed that neutral nicotine resides in the mid-plane, while protonated nicotine remains near the surface. Nicotine binding to the membranes is dynamic, switching between bound and unbound states. Analysis via ESR\/van\u2019t Hoff method revealed changes in the thermodynamics of phase coexistence, yielding distinct non-linear behavior. Nicotine altered the temperature dependence of the free energy, modifying the thermodynamic driving forces and the balance of non-covalent lipid interactions. These findings provide new insights into how nicotine influences pulmonary surfactant model membranes, with potential implications for surfactant function.<\/jats:p>","DOI":"10.3390\/membranes14120267","type":"journal-article","created":{"date-parts":[[2024,12,11]],"date-time":"2024-12-11T06:44:05Z","timestamp":1733899445000},"page":"267","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["Effects of Nicotine on the Thermodynamics and Phase Coexistence of Pulmonary Surfactant Model Membranes"],"prefix":"10.3390","volume":"14","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-8959-6629","authenticated-orcid":false,"given":"Fadi S. S.","family":"Magalh\u00e3es","sequence":"first","affiliation":[{"name":"Laborat\u00f3rio de Ci\u00eancias F\u00edsicas, Centro de Ci\u00eancia e Tecnologia, Universidade Estadual do Norte Fluminense Darcy Ribeiro, Avenida Alberto Lamego, 2000, Campos dos Goytacazes 28013-602, RJ, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ernanni D.","family":"Vieira","sequence":"additional","affiliation":[{"name":"Laborat\u00f3rio de F\u00edsica Biol\u00f3gica, Instituto de F\u00edsica, Universidade Federal de Goi\u00e1s, Avenida Esperan\u00e7a s\/n, Campus Samambaia, Goi\u00e2nia 74690-900, GO, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mariana R. B.","family":"Batista","sequence":"additional","affiliation":[{"name":"School of Life Sciences, Gibbet Hill Campus, University of Warwick, Coventry CV4 7Al, UK"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6730-8737","authenticated-orcid":false,"given":"Antonio J.","family":"Costa-Filho","sequence":"additional","affiliation":[{"name":"Laborat\u00f3rio de Biof\u00edsica Molecular, Departamento de F\u00edsica, Faculdade de Filosofia, Ci\u00eancias e Letras de Ribeir\u00e3o Preto, Universidade de S\u00e3o Paulo, Ribeir\u00e3o Preto 14040-901, SP, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1277-1008","authenticated-orcid":false,"given":"Luis G. M.","family":"Basso","sequence":"additional","affiliation":[{"name":"Laborat\u00f3rio de Ci\u00eancias F\u00edsicas, Centro de Ci\u00eancia e Tecnologia, Universidade Estadual do Norte Fluminense Darcy Ribeiro, Avenida Alberto Lamego, 2000, Campos dos Goytacazes 28013-602, RJ, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2024,12,11]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"353","DOI":"10.1016\/0304-4157(87)90017-7","article-title":"Lipid Intermolecular Hydrogen Bonding: Influence on Structural Organization and Membrane Function","volume":"906","author":"Boggs","year":"1987","journal-title":"Biochim. Biophys. Acta"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"229","DOI":"10.1016\/0009-3084(82)90053-6","article-title":"The Use of Differential Scanning Calorimetry and Differential Thermal Analysis in Studies of Model and Biological Membranes","volume":"30","author":"Mcelhaney","year":"1982","journal-title":"Chem. Phys. Lipids"},{"key":"ref_3","unstructured":"Yeagle, P.L. (2012). The Mesomorphic Phase Behavior of Lipid Bilayers. The Structure of Biological Membranes, CRC Press. The structure of biological membranes."},{"key":"ref_4","doi-asserted-by":"crossref","unstructured":"Mu\u017ei\u0107, T., Tounsi, F., Madsen, S.B., Pollakowski, D., Konrad, M., and Heimburg, T. (2019). Melting Transitions in Biomembranes. Biochim. Biophys. Acta Biomembr., 1861.","DOI":"10.1016\/j.bbamem.2019.07.014"},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"55","DOI":"10.1016\/j.bbamem.2010.08.009","article-title":"Effects of the Antimalarial Drug Primaquine on the Dynamic Structure of Lipid Model Membranes","volume":"1808","author":"Basso","year":"2011","journal-title":"Biochim. Biophys. Acta Biomembr."},{"key":"ref_6","doi-asserted-by":"crossref","unstructured":"Keshavarzi, A., Asi Shirazi, A., Korfanta, R., Kr\u00e1lovi\u010d, N., Klacsov\u00e1, M., Mart\u00ednez, J.C., Teixeira, J., Combet, S., and Uhr\u00edkov\u00e1, D. (2024). Thermodynamic and Structural Study of Budesonide\u2014Exogenous Lung Surfactant System. Int. J. Mol. Sci., 25.","DOI":"10.3390\/ijms25052990"},{"key":"ref_7","doi-asserted-by":"crossref","unstructured":"Basso, L.G.M., Vicente, E.F., Crusca, E., Cilli, E.M., and Costa-Filho, A.J. (2016). SARS-CoV Fusion Peptides Induce Membrane Surface Ordering and Curvature. Sci. Rep., 6.","DOI":"10.1038\/srep37131"},{"key":"ref_8","doi-asserted-by":"crossref","unstructured":"Felizatti, A.P., Zeraik, A.E., Basso, L.G.M., Kumagai, P.S., Lopes, J.L.S., Wallace, B.A., Araujo, A.P.U., and DeMarco, R. (2020). Interactions of Amphipathic \u03b1-Helical MEG Proteins from Schistosoma Mansoni with Membranes. Biochim. Biophys. Acta Biomembr., 1862.","DOI":"10.1016\/j.bbamem.2019.183173"},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"284","DOI":"10.1016\/j.ijbiomac.2017.03.197","article-title":"Lipid Membranes and Acyl-CoA Esters Promote Opposing Effects on Acyl-CoA Binding Protein Structure and Stability","volume":"102","author":"Micheletto","year":"2017","journal-title":"Int. J. Biol. Macromol."},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"2148","DOI":"10.1074\/jbc.RA119.011147","article-title":"The Phosphatidic Acid Pathway Enzyme PlsX Plays Both Catalytic and Channeling Roles in Bacterial Phospholipid Synthesis","volume":"295","author":"Sastre","year":"2020","journal-title":"J. Biol. Chem."},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"4035","DOI":"10.1021\/acs.jmedchem.5b01684","article-title":"Role of Molecular Dynamics and Related Methods in Drug Discovery","volume":"59","author":"Masetti","year":"2016","journal-title":"J. Med. Chem."},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"24","DOI":"10.1016\/j.plipres.2016.12.001","article-title":"Shedding Light on the Puzzle of Drug-Membrane Interactions: Experimental Techniques and Molecular Dynamics Simulations","volume":"65","author":"Lopes","year":"2017","journal-title":"Prog. Lipid Res."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"2268","DOI":"10.2174\/1568026619666181212102856","article-title":"Identification of Drug Binding Sites and Action Mechanisms with Molecular Dynamics Simulations","volume":"18","author":"Wang","year":"2018","journal-title":"Curr. Top. Med. Chem."},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"2785","DOI":"10.1111\/febs.12286","article-title":"Molecular Dynamics Simulations of the Interactions of Medicinal Plant Extracts and Drugs with Lipid Bilayer Membranes","volume":"280","author":"Telenius","year":"2013","journal-title":"FEBS J."},{"key":"ref_15","doi-asserted-by":"crossref","unstructured":"Berliner, L.J., and Reuben, J. (1989). Spin Labeling: Theory and Applications, Springer. [8th ed.].","DOI":"10.1007\/978-1-4613-0743-3"},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"247","DOI":"10.1007\/978-1-60761-447-0_18","article-title":"Studying Lipid Organization in Biological Membranes Using Liposomes and EPR Spin Labeling","volume":"606","author":"Subczynski","year":"2010","journal-title":"Methods Mol. Biol."},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"102","DOI":"10.1016\/j.abb.2015.06.015","article-title":"Electron Spin Resonance of Spin-Labeled Lipid Assemblies and Proteins","volume":"580","author":"Guzzi","year":"2015","journal-title":"Arch. Biochem. Biophys."},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"179","DOI":"10.1007\/s12551-016-0199-5","article-title":"The Two Sides of a Lipid-Protein Story","volume":"8","author":"Basso","year":"2016","journal-title":"Biophys. Rev."},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"155","DOI":"10.1006\/jmra.1996.0113","article-title":"Nonlinear-Least-Squares Analysis of Slow-Motion EPR Spectra in One and Two Dimensions Using a Modified Levenberg-Marquardt Algorithm","volume":"120","author":"Budil","year":"1996","journal-title":"J. Magn. Reson. A"},{"key":"ref_20","doi-asserted-by":"crossref","unstructured":"Earle, K.A., and Budil, D.E. (2006). Calculating Slow-Motion ESR Spectra of Spin-Labeled Polymers. Advanced ESR Methods in Polymer Research. Schlick, S., Ed., Wiley.","DOI":"10.1002\/047005350X.ch3"},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"3364","DOI":"10.1016\/S0006-3495(03)70060-5","article-title":"Lipid-Gramicidin Interactions: Dynamic Structure of the Boundary Lipid by 2D-ELDOR","volume":"84","author":"Crepeau","year":"2003","journal-title":"Biophys. J."},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"9876","DOI":"10.1021\/bi000678r","article-title":"Mixed Membranes of Sphingolipids and Glycerolipids as Studied by Spin-Label ESR Spectroscopy. A Search for Domain Formation","volume":"39","author":"Veiga","year":"2000","journal-title":"Biochemistry"},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"4023","DOI":"10.1016\/S0006-3495(03)74816-4","article-title":"Hydration, Structure, and Molecular Interactions in the Headgroup Region of Dioleoylphosphatidylcholine Bilayers: An Electron Spin Resonance Study","volume":"85","author":"Ge","year":"2003","journal-title":"Biophys. J."},{"key":"ref_24","doi-asserted-by":"crossref","first-page":"4452","DOI":"10.1529\/biophysj.105.070839","article-title":"Coexisting Domains in the Plasma Membranes of Live Cells Characterized by Spin-Label ESR Spectroscopy","volume":"90","author":"Swamy","year":"2006","journal-title":"Biophys. J."},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"1133","DOI":"10.1016\/j.bbamem.2017.03.011","article-title":"Non-Linear van\u2019t Hoff Behavior in Pulmonary Surfactant Model Membranes","volume":"1859","author":"Vieira","year":"2017","journal-title":"Biochim. Biophys. Acta Biomembr."},{"key":"ref_26","doi-asserted-by":"crossref","first-page":"9584","DOI":"10.1039\/C7CP00401J","article-title":"The Role of Conformational Heterogeneity in Regulating the Apoptotic Activity of BAX Protein","volume":"19","author":"Kao","year":"2017","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref_27","doi-asserted-by":"crossref","unstructured":"Reichenwallner, J., Schwieger, C., and Hinderberger, D. (2017). Probing the Nanoscopic Thermodynamic Fingerprint of Paramagnetic Ligands Interacting with Amphiphilic Macromolecules. Polymers, 9.","DOI":"10.3390\/polym9080324"},{"key":"ref_28","doi-asserted-by":"crossref","first-page":"159","DOI":"10.1016\/j.jelechem.2017.11.029","article-title":"Surface Charge and Overlayer PH Influence the Dynamics of Supported Phospholipid Films","volume":"812","author":"Baumler","year":"2018","journal-title":"J. Electroanal. Chem."},{"key":"ref_29","doi-asserted-by":"crossref","first-page":"47699","DOI":"10.1021\/acsomega.4c07367","article-title":"Nonlinear van\u2019t Hoff Behavior in the Interaction of Two Water-Soluble Porphyrins with Bovine Serum Albumin (BSA)","volume":"9","author":"Bezerra","year":"2024","journal-title":"ACS Omega"},{"key":"ref_30","doi-asserted-by":"crossref","first-page":"73","DOI":"10.1152\/physrev.00015.2008","article-title":"Mammalian Nicotinic Acetylcholine Receptors: From Structure to Function","volume":"89","author":"Albuquerque","year":"2009","journal-title":"Physiol. Rev."},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"1052","DOI":"10.1093\/ntr\/ntac284","article-title":"Trends in US E-Cigarette Sales and Prices by Nicotine Strength, Overall and by Product and Flavor Type, 2017\u20132022","volume":"25","author":"Ali","year":"2022","journal-title":"Nicotine Tob. Res."},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"4290","DOI":"10.1172\/JCI128531","article-title":"Electronic Cigarettes Disrupt Lung Lipid Homeostasis and Innate Immunity Independent of Nicotine","volume":"129","author":"Madison","year":"2019","journal-title":"J. Clin. Investig."},{"key":"ref_33","doi-asserted-by":"crossref","unstructured":"Henningfield, J.E., London, E.D., and Pogun, S. (2009). Nicotine Chemistry, Metabolism, Kinetics and Biomarkers. Nicotine Psychopharmacology. Handbook of Experimental Pharmacology, Springer.","DOI":"10.1007\/978-3-540-69248-5"},{"key":"ref_34","doi-asserted-by":"crossref","first-page":"2509","DOI":"10.1039\/b813853m","article-title":"Drug Interactions with Lipid Membranes","volume":"38","author":"Seddon","year":"2009","journal-title":"Chem. Soc. Rev."},{"key":"ref_35","doi-asserted-by":"crossref","first-page":"79","DOI":"10.1016\/S0925-4439(98)00060-X","article-title":"Pulmonary Surfactant: Functions and Molecular Composition","volume":"1408","author":"Goerke","year":"1998","journal-title":"Biochim. Biophys. Acta"},{"key":"ref_36","doi-asserted-by":"crossref","first-page":"1676","DOI":"10.1016\/j.bbamem.2008.05.003","article-title":"Structure of Pulmonary Surfactant Membranes and Films: The Role of Proteins and Lipid-Protein Interactions","volume":"1778","year":"2008","journal-title":"Biochim. Biophys. Acta Biomembr."},{"key":"ref_37","doi-asserted-by":"crossref","first-page":"1568","DOI":"10.1016\/j.bbamem.2014.01.028","article-title":"Structure-Function Relationships in Pulmonary Surfactant Membranes: From Biophysics to Therapy","volume":"1838","year":"2014","journal-title":"Biochim. Biophys. Acta Biomembr."},{"key":"ref_38","doi-asserted-by":"crossref","first-page":"153","DOI":"10.1016\/j.chemphyslip.2014.09.002","article-title":"Composition, Structure and Mechanical Properties Define Performance of Pulmonary Surfactant Membranes and Films","volume":"185","author":"Parra","year":"2015","journal-title":"Chem. Phys. Lipids"},{"key":"ref_39","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1007\/PL00007554","article-title":"The Pulmonary Surfactant System: Biochemical and Clinical Aspects","volume":"175","author":"Creuwels","year":"1997","journal-title":"Lung"},{"key":"ref_40","doi-asserted-by":"crossref","first-page":"26295","DOI":"10.1039\/C5CP02377G","article-title":"Effects of GPI-Anchored TNAP on the Dynamic Structure of Model Membranes","volume":"17","author":"Garcia","year":"2015","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref_41","doi-asserted-by":"crossref","first-page":"1746","DOI":"10.1529\/biophysj.107.120055","article-title":"Defects in Vesicle Core Induced by Escherichia Coli Dihydroorotate Dehydrogenase","volume":"94","author":"Couto","year":"2008","journal-title":"Biophys. J."},{"key":"ref_42","doi-asserted-by":"crossref","unstructured":"Basso, L.G.M., Zeraik, A.E., Felizatti, A.P., and Costa-Filho, A.J. (2021). Membranotropic and Biological Activities of the Membrane Fusion Peptides from SARS-CoV Spike Glycoprotein: The Importance of the Complete Internal Fusion Peptide Domain. Biochim. Biophys. Acta Biomembr., 1863.","DOI":"10.1016\/j.bbamem.2021.183697"},{"key":"ref_43","doi-asserted-by":"crossref","first-page":"1781","DOI":"10.1002\/jcc.20289","article-title":"Scalable Molecular Dynamics with NAMD","volume":"26","author":"Phillips","year":"2005","journal-title":"J. Comput. Chem."},{"key":"ref_44","doi-asserted-by":"crossref","first-page":"1859","DOI":"10.1002\/jcc.20945","article-title":"CHARMM-GUI: A Web-Based Graphical User Interface for CHARMM","volume":"29","author":"Jo","year":"2008","journal-title":"J. Comput. Chem."},{"key":"ref_45","doi-asserted-by":"crossref","first-page":"2135","DOI":"10.1002\/jcc.23354","article-title":"CHARMM36 All-Atom Additive Protein Force Field: Validation Based on Comparison to NMR Data","volume":"34","author":"Huang","year":"2013","journal-title":"J. Comput. Chem."},{"key":"ref_46","doi-asserted-by":"crossref","first-page":"10089","DOI":"10.1063\/1.464397","article-title":"Particle Mesh Ewald: An N\u00b7log(N) Method for Ewald Sums in Large Systems","volume":"98","author":"Darden","year":"1993","journal-title":"J. Chem. Phys."},{"key":"ref_47","doi-asserted-by":"crossref","first-page":"243","DOI":"10.1016\/S0301-0104(98)00214-6","article-title":"Constant Temperature Simulations Using the Langevin Equation with Velocity Verlet Integration","volume":"236","author":"Paterlini","year":"1998","journal-title":"Chem. Phys."},{"key":"ref_48","doi-asserted-by":"crossref","first-page":"4069","DOI":"10.1063\/1.449071","article-title":"The Nose\u2013Hoover Thermostat","volume":"83","author":"Evans","year":"1985","journal-title":"J. Chem. Phys."},{"key":"ref_49","doi-asserted-by":"crossref","first-page":"952","DOI":"10.1002\/jcc.540130805","article-title":"Settle: An Analytical Version of the SHAKE and RATTLE Algorithm for Rigid Water Models","volume":"13","author":"Miyamoto","year":"1992","journal-title":"J. Comput. Chem."},{"key":"ref_50","doi-asserted-by":"crossref","unstructured":"Gowers, R.J., Linke, M., Barnoud, J., Reddy, T.J.E., Melo, M.N., Seyler, S.L., Doma\u0144ski, J., Dotson, D.L., Buchoux, S., and Kenney, I.M. (2016, January 11\u201317). MDAnalysis: A Python Package for the Rapid Analysis of Molecular Dynamics Simulations. Proceedings of the 15th Python in Science Conference, Austin, TX, USA.","DOI":"10.25080\/Majora-629e541a-00e"},{"key":"ref_51","doi-asserted-by":"crossref","first-page":"2305","DOI":"10.1002\/jcc.23753","article-title":"Lightweight Object Oriented Structure Analysis: Tools for Building Tools to Analyze Molecular Dynamics Simulations","volume":"35","author":"Romo","year":"2014","journal-title":"J. Comput. Chem."},{"key":"ref_52","first-page":"82","article-title":"Pymol: An Open-Source Molecular Graphics Tool","volume":"40","author":"DeLano","year":"2002","journal-title":"CCP4 Newsl. Protein Crystallogr."},{"key":"ref_53","doi-asserted-by":"crossref","first-page":"1213","DOI":"10.1016\/S0006-3495(94)80905-1","article-title":"250-GHz Electron Spin Resonance Studies of Polarity Gradients along the Aliphatic Chains in Phospholipid Membranes","volume":"66","author":"Earle","year":"1994","journal-title":"Biophys. J."},{"key":"ref_54","doi-asserted-by":"crossref","first-page":"6068","DOI":"10.1016\/S0021-9258(18)50520-2","article-title":"Temperature and Compositional Dependence of the Structure of Hydrated Dimyristoyl Lecithin","volume":"254","author":"Janiak","year":"1979","journal-title":"J. Biol. Chem."},{"key":"ref_55","doi-asserted-by":"crossref","first-page":"117","DOI":"10.1016\/0005-2736(87)90092-7","article-title":"Interaction of Trans-Parinaric Acid with Phosphatidylcholine Bilayers: Comparison with the Effect of Other Fluorophores","volume":"904","author":"Menashe","year":"1987","journal-title":"Biochim. Biophys. Acta"},{"key":"ref_56","doi-asserted-by":"crossref","first-page":"157","DOI":"10.1016\/j.chemphyslip.2004.06.005","article-title":"Effects of Non-Steroid Anti-Inflammatory Drugs in Membrane Bilayers","volume":"132","author":"Kyrikou","year":"2004","journal-title":"Chem. Phys. Lipids"},{"key":"ref_57","doi-asserted-by":"crossref","first-page":"304","DOI":"10.1016\/0009-3084(69)90040-1","article-title":"Thermal Analysis of Lipids, Proteins and Biological Membranes. A Review and Summary of Some Recent Studies","volume":"3","author":"Ladbrooke","year":"1969","journal-title":"Chem. Phys. Lipids"},{"key":"ref_58","doi-asserted-by":"crossref","first-page":"3359","DOI":"10.1103\/PhysRevA.36.3359","article-title":"Theory of the Ripple Phase in Hydrated Phospholipid Bilayers","volume":"36","author":"Carlson","year":"1987","journal-title":"Phys. Rev. A"},{"key":"ref_59","doi-asserted-by":"crossref","first-page":"59","DOI":"10.1016\/0005-2736(91)90335-6","article-title":"Polymorphism of the Bilayer Membranes in the Ordered Phase and the Molecular Origin of the Lipid Pretransition and Rippled Lamellae","volume":"1062","author":"Cevc","year":"1991","journal-title":"Biochim. Et Biophys. Acta (BBA)-Biomembr."},{"key":"ref_60","doi-asserted-by":"crossref","first-page":"81","DOI":"10.1039\/C2AY25678A","article-title":"Spectroscopic Investigations into the Acid\u2013Base Properties of Nicotine at Different Temperatures","volume":"5","author":"Clayton","year":"2012","journal-title":"Anal. Methods"},{"key":"ref_61","doi-asserted-by":"crossref","first-page":"17649","DOI":"10.1021\/jp0484837","article-title":"A Multifrequency Electron Spin Resonance Study of T4 Lysozyme Dynamics Using the Slowly Relaxing Local Structure Model","volume":"108","author":"Liang","year":"2004","journal-title":"J. Phys. Chem. B"},{"key":"ref_62","doi-asserted-by":"crossref","first-page":"eabj4565","DOI":"10.1126\/sciadv.abj4565","article-title":"Molecular Ruler Mechanism and Interfacial Catalysis of the Integral Membrane Acyltransferase PatA","volume":"7","author":"Anso","year":"2021","journal-title":"Sci. Adv."},{"key":"ref_63","first-page":"031710","article-title":"Structure of the Ripple Phase of Phospholipid Multibilayers","volume":"68","author":"Sengupta","year":"2003","journal-title":"Phys. Rev. E Stat. Phys. Plasmas Fluids Relat. Interdiscip. Top."},{"key":"ref_64","doi-asserted-by":"crossref","first-page":"3487","DOI":"10.1021\/bi00257a036","article-title":"Carbon-13 Nuclear Magnetic Resonance Investigations of Phase Transitions and Phase Equilibria in Pure and Mixed Phospholipid Bilayers","volume":"21","author":"Wittebort","year":"1982","journal-title":"Biochemistry"},{"key":"ref_65","doi-asserted-by":"crossref","first-page":"3691","DOI":"10.1073\/pnas.80.12.3691","article-title":"Thermodynamics and Kinetics of Protein Incorporation into Membranes","volume":"80","author":"Jahnig","year":"1983","journal-title":"Proc. Natl Acad. Sci. USA"},{"key":"ref_66","doi-asserted-by":"crossref","first-page":"99","DOI":"10.1016\/j.bbamem.2004.11.010","article-title":"New Method for Determining Tie-Lines in Coexisting Membrane Phases Using Spin-Label ESR","volume":"1668","author":"Chiang","year":"2005","journal-title":"Biochim. Biophys. Acta Biomembr."},{"key":"ref_67","first-page":"2290","article-title":"Temperature Effects in Hydrophobic Interaction Chromatography","volume":"93","author":"Haidacher","year":"1996","journal-title":"Biophysics"},{"key":"ref_68","doi-asserted-by":"crossref","first-page":"79","DOI":"10.1016\/S0301-4622(99)00002-2","article-title":"Observations on the Origin of the Non-Linear van\u2019t Hoff Behaviour of Polypeptides in Hydrophobic Environments","volume":"77","author":"Boysen","year":"1999","journal-title":"Biophys. Chem."},{"key":"ref_69","doi-asserted-by":"crossref","first-page":"1856","DOI":"10.1016\/j.bpj.2012.03.043","article-title":"Phase Diagram of Ternary Cholesterol\/Palmitoylsphingomyelin\/Palmitoyloleoyl-Phosphatidylcholine Mixtures: Spin-Label EPR Study of Lipid-Raft Formation","volume":"102","author":"Ionova","year":"2012","journal-title":"Biophys. J."},{"key":"ref_70","doi-asserted-by":"crossref","first-page":"2483","DOI":"10.1529\/biophysj.104.044438","article-title":"Dynamic Molecular Structure of DPPC-DLPC-Cholesterol Ternary Lipid System by Spin-Label Electron Spin Resonance","volume":"87","author":"Chiang","year":"2004","journal-title":"Biophys. J."},{"key":"ref_71","doi-asserted-by":"crossref","first-page":"5988","DOI":"10.1021\/ja029213+","article-title":"Interference between the Hydrogen Bonds to the Two Rings of Nicotine","volume":"125","author":"Price","year":"2003","journal-title":"J. Am. Chem. Soc."},{"key":"ref_72","doi-asserted-by":"crossref","first-page":"17","DOI":"10.1007\/978-3-319-19060-0_2","article-title":"Use of X-Ray and Neutron Scattering Methods with Volume Measurements to Determine Lipid Bilayer Structure and Number of Water Molecules\/Lipid","volume":"71","year":"2015","journal-title":"Subcell. Biochem."},{"key":"ref_73","doi-asserted-by":"crossref","first-page":"2655","DOI":"10.1016\/j.bbamem.2008.08.025","article-title":"Structural and Functional Properties of Hydration and Confined Water in Membrane Interfaces","volume":"1778","author":"Disalvo","year":"2008","journal-title":"Biochim. Biophys. Acta Biomembr."},{"key":"ref_74","doi-asserted-by":"crossref","first-page":"46","DOI":"10.1126\/science.1174621","article-title":"Lipid Rafts As a Membrane-Organizing Principle","volume":"327","author":"Lingwood","year":"2010","journal-title":"Science"},{"key":"ref_75","doi-asserted-by":"crossref","first-page":"40715","DOI":"10.1074\/jbc.M404648200","article-title":"Cholesterol Rules: Direct Observation of the Coexistence of Two Fluid Phases in Native Pulmonary Surfactant Membranes at Physiological Temperatures","volume":"279","author":"Simonsen","year":"2004","journal-title":"J. Biol. Chem."},{"key":"ref_76","doi-asserted-by":"crossref","first-page":"2550","DOI":"10.1016\/j.bbamem.2012.05.024","article-title":"Role of Lipid Ordered\/Disordered Phase Coexistence in Pulmonary Surfactant Function","volume":"1818","author":"Casals","year":"2012","journal-title":"Biochim. Biophys. Acta Biomembr."},{"key":"ref_77","doi-asserted-by":"crossref","first-page":"3662","DOI":"10.1096\/fj.09-142646","article-title":"Fluidizing Effects of C-Reactive Protein on Lung Surfactant Membranes: Protective Role of Surfactant Protein A","volume":"24","author":"Nin","year":"2010","journal-title":"FASEB J."},{"key":"ref_78","doi-asserted-by":"crossref","first-page":"919","DOI":"10.1002\/sia.6244","article-title":"The PH Dependent Interaction between Nicotine and Simulated Pulmonary Surfactant Monolayers with Associated Molecular Modelling","volume":"49","author":"Davies","year":"2017","journal-title":"Surf. Interface Anal."}],"container-title":["Membranes"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/2077-0375\/14\/12\/267\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,10]],"date-time":"2025-10-10T16:52:16Z","timestamp":1760115136000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/2077-0375\/14\/12\/267"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,12,11]]},"references-count":78,"journal-issue":{"issue":"12","published-online":{"date-parts":[[2024,12]]}},"alternative-id":["membranes14120267"],"URL":"https:\/\/doi.org\/10.3390\/membranes14120267","relation":{},"ISSN":["2077-0375"],"issn-type":[{"value":"2077-0375","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,12,11]]}}}