{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,28]],"date-time":"2026-09-28T20:02:54Z","timestamp":1790625774519,"version":"4.1.0"},"reference-count":26,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2027,1,1]],"date-time":"2027-01-01T00:00:00Z","timestamp":1798761600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2027,1,1]],"date-time":"2027-01-01T00:00:00Z","timestamp":1798761600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2027,1,1]],"date-time":"2027-01-01T00:00:00Z","timestamp":1798761600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2027,1,1]],"date-time":"2027-01-01T00:00:00Z","timestamp":1798761600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2027,1,1]],"date-time":"2027-01-01T00:00:00Z","timestamp":1798761600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2027,1,1]],"date-time":"2027-01-01T00:00:00Z","timestamp":1798761600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2027,1,1]],"date-time":"2027-01-01T00:00:00Z","timestamp":1798761600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"funder":[{"DOI":"10.13039\/501100004281","name":"National Science Centre Poland","doi-asserted-by":"publisher","award":["MINIATURA 2023\/07\/X\/NZ7\/00159"],"award-info":[{"award-number":["MINIATURA 2023\/07\/X\/NZ7\/00159"]}],"id":[{"id":"10.13039\/501100004281","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy"],"published-print":{"date-parts":[[2027,1]]},"DOI":"10.1016\/j.saa.2026.128730","type":"journal-article","created":{"date-parts":[[2026,9,4]],"date-time":"2026-09-04T16:07:11Z","timestamp":1788538031000},"page":"128730","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":0,"special_numbering":"C","title":["Spectroscopic and molecular-level characterization of partricins' self-association in aqueous solution"],"prefix":"10.1016","volume":"365","author":[{"given":"Marcelina","family":"Chrzanowska","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Filip","family":"Anaszewicz","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tomasz","family":"Laskowski","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Pawe\u0142","family":"Szczeblewski","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Karolina","family":"Zieli\u0144ska","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Julia","family":"Borzyszkowska-Bukowska","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.saa.2026.128730_bb0005","doi-asserted-by":"crossref","DOI":"10.1038\/srep40158","article-title":"Analytical studies on ascosin, candicidin and levorin multicomponent antifungal antibiotic complexes. The stereostructure of ascosin A2","volume":"7","author":"Szczeblewski","year":"2017","journal-title":"Sci. Rep."},{"key":"10.1016\/j.saa.2026.128730_bb0010","doi-asserted-by":"crossref","DOI":"10.3390\/ijms221810108","article-title":"Quest for the molecular basis of improved selective toxicity of all-trans isomers of aromatic Heptaene macrolide antifungal antibiotics","volume":"22","author":"Borzyszkowska-Bukowska","year":"2021","journal-title":"Int. J. Mol. Sci."},{"key":"10.1016\/j.saa.2026.128730_bb0015","doi-asserted-by":"crossref","first-page":"762","DOI":"10.1038\/s41598-023-28036-x","article-title":"Antibiotic-sterol interactions provide insight into the selectivity of natural aromatic analogues of amphotericin B and their photoisomers","volume":"13","author":"Borzyszkowska-Bukowska","year":"2023","journal-title":"Sci. Rep."},{"key":"10.1016\/j.saa.2026.128730_bb0020","doi-asserted-by":"crossref","first-page":"1540","DOI":"10.1021\/acs.jnatprod.7b00821","article-title":"Light-induced transformation of the aromatic Heptaene antifungal antibiotic Candicidin D into its all-trans isomer","volume":"81","author":"Szczeblewski","year":"2018","journal-title":"J. Nat. Prod."},{"key":"10.1016\/j.saa.2026.128730_bb0025","doi-asserted-by":"crossref","DOI":"10.3390\/antibiotics10091102","article-title":"Iso-partricin, an aromatic analogue of amphotericin b: how shining light on old drugs might help create new ones","volume":"10","author":"Szczeblewski","year":"2021","journal-title":"Antibiotics"},{"key":"10.1016\/j.saa.2026.128730_bb0030","doi-asserted-by":"crossref","first-page":"11","DOI":"10.1016\/0304-4165(82)90300-2","article-title":"Self-association of some polyene macrolide antibiotics in aqueous media","volume":"719","author":"Mazerski","year":"1982","journal-title":"Biochim. Biophys. Acta Gen. Subj."},{"key":"10.1016\/j.saa.2026.128730_bb0035","doi-asserted-by":"crossref","DOI":"10.1038\/srep19109","article-title":"Thermodynamics and kinetics of amphotericin B self-association in aqueous solution characterized in molecular detail","volume":"6","author":"Zieli\u0144ska","year":"2016","journal-title":"Sci. Rep."},{"key":"10.1016\/j.saa.2026.128730_bb0040","doi-asserted-by":"crossref","first-page":"716","DOI":"10.1016\/j.jconrel.2021.12.019","article-title":"Self-assembling, supramolecular chemistry and pharmacology of amphotericin B: poly-aggregates, oligomers and monomers","volume":"341","author":"Fern\u00e1ndez-Garc\u00eda","year":"2022","journal-title":"J. Control. Release"},{"key":"10.1016\/j.saa.2026.128730_bb0045","doi-asserted-by":"crossref","first-page":"41","DOI":"10.1016\/0006-2952(84)90368-X","article-title":"Haemolytic activity of aromatic heptaenes. A group of polyene macrolide antifungal antibiotics","volume":"33","author":"Cybulska","year":"1984","journal-title":"Biochem. Pharmacol."},{"key":"10.1016\/j.saa.2026.128730_bb0050","doi-asserted-by":"crossref","first-page":"31","DOI":"10.1016\/0927-7765(96)01283-0","article-title":"Aggregation of polyene antibiotics as studied by electronic absorption and circular dichroism spectroscopies","volume":"7","author":"Shervani","year":"1996","journal-title":"Colloids Surf. B: Biointerfaces"},{"key":"10.1016\/j.saa.2026.128730_bb0055","doi-asserted-by":"crossref","first-page":"13821","DOI":"10.1021\/jp510245n","article-title":"Self-association of amphotericin b: spontaneous formation of molecular structures responsible for the toxic side effects of the antibiotic","volume":"118","author":"Starzyk","year":"2014","journal-title":"J. Phys. Chem. B"},{"key":"10.1016\/j.saa.2026.128730_bb0060","doi-asserted-by":"crossref","first-page":"671","DOI":"10.1002\/jcc.21367","article-title":"CHARMM general force field: a force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields","volume":"31","author":"Vanommeslaeghe","year":"2010","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.saa.2026.128730_bb0065","doi-asserted-by":"crossref","first-page":"71","DOI":"10.1038\/nmeth.4067","article-title":"CHARMM36m: an improved force field for folded and intrinsically disordered proteins","volume":"14","author":"Huang","year":"2017","journal-title":"Nat. Methods"},{"key":"10.1016\/j.saa.2026.128730_bb0070","doi-asserted-by":"crossref","first-page":"926","DOI":"10.1063\/1.445869","article-title":"Comparison of simple potential functions for simulating liquid water","volume":"79","author":"Jorgensen","year":"1983","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.saa.2026.128730_bb0075","doi-asserted-by":"crossref","DOI":"10.1063\/1.2408420","article-title":"Canonical sampling through velocity rescaling","volume":"126","author":"Bussi","year":"2007","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.saa.2026.128730_bb0080","doi-asserted-by":"crossref","DOI":"10.1063\/5.0020514","article-title":"Pressure control using stochastic cell rescaling","volume":"153","author":"Bernetti","year":"2020","journal-title":"J. Chem. Phys."},{"issue":"2","key":"10.1016\/j.saa.2026.128730_bb0085","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1016\/j.softx.2015.06.001","article-title":"Gromacs: high performance molecular simulations through multi-level parallelism from laptops to supercomputers","volume":"1","author":"Abraham","year":"2015","journal-title":"SoftwareX"},{"key":"10.1016\/j.saa.2026.128730_bb0090","series-title":"Manual","author":"Abraham","year":"2023"},{"key":"10.1016\/j.saa.2026.128730_bb0095","doi-asserted-by":"crossref","first-page":"604","DOI":"10.1016\/j.cpc.2013.09.018","article-title":"PLUMED 2: new feathers for an old bird","volume":"185","author":"Tribello","year":"2014","journal-title":"Comput. Phys. Commun."},{"key":"10.1016\/j.saa.2026.128730_bb0100","doi-asserted-by":"crossref","first-page":"10089","DOI":"10.1063\/1.464397","article-title":"Particle mesh Ewald: an N log (N) method for Ewald sums in large systems","volume":"98","author":"Darden","year":"1993","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.saa.2026.128730_bb0105","doi-asserted-by":"crossref","first-page":"1463","DOI":"10.1002\/(SICI)1096-987X(199709)18:12<1463::AID-JCC4>3.0.CO;2-H","article-title":"LINCS: a linear constraint solver for molecular simulations","volume":"18","author":"Hess","year":"1997","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.saa.2026.128730_bb0110","doi-asserted-by":"crossref","first-page":"1011","DOI":"10.1002\/jcc.540130812","article-title":"THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method","volume":"13","author":"Kumar","year":"1992","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.saa.2026.128730_bb0115","series-title":"Wham: an implementation of the weighted histogram analysis method","author":"Grossfield","year":"2026"},{"key":"10.1016\/j.saa.2026.128730_bb0120","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1103\/PhysRevLett.100.020603","article-title":"Well-tempered metadynamics: a smoothly converging and tunable free-energy method","volume":"100","author":"Barducci","year":"2008","journal-title":"Phys. Rev. Lett."},{"key":"10.1016\/j.saa.2026.128730_bb0125","doi-asserted-by":"crossref","first-page":"826","DOI":"10.1002\/wcms.31","article-title":"Metadynamics","volume":"1","author":"Barducci","year":"2011","journal-title":"Wiley Interdiscip. Rev. Comput. Mol. Sci."},{"key":"10.1016\/j.saa.2026.128730_bb0130","doi-asserted-by":"crossref","DOI":"10.1088\/0034-4885\/71\/12\/126601","article-title":"Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science","volume":"71","author":"Laio","year":"2008","journal-title":"Rep. Prog. Phys."}],"container-title":["Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1386142526013016?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1386142526013016?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,9,28]],"date-time":"2026-09-28T19:31:04Z","timestamp":1790623864000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1386142526013016"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2027,1]]},"references-count":26,"alternative-id":["S1386142526013016"],"URL":"https:\/\/doi.org\/10.1016\/j.saa.2026.128730","relation":{},"ISSN":["1386-1425"],"issn-type":[{"value":"1386-1425","type":"print"}],"subject":[],"published":{"date-parts":[[2027,1]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Spectroscopic and molecular-level characterization of partricins' self-association in aqueous solution","name":"articletitle","label":"Article Title"},{"value":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.saa.2026.128730","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2026 Elsevier B.V. All rights are reserved, including those for text and data mining, AI training, and similar technologies.","name":"copyright","label":"Copyright"}],"article-number":"128730"}}