{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,3]],"date-time":"2026-08-03T06:46:30Z","timestamp":1785739590899,"version":"3.56.0"},"reference-count":44,"publisher":"MDPI AG","issue":"15","license":[{"start":{"date-parts":[[2026,8,3]],"date-time":"2026-08-03T00:00:00Z","timestamp":1785715200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100006769","name":"Russian Science Foundation","doi-asserted-by":"publisher","award":["24-43-02049"],"award-info":[{"award-number":["24-43-02049"]}],"id":[{"id":"10.13039\/501100006769","id-type":"DOI","asserted-by":"publisher"}]},{"award":["24-43-02049"],"award-info":[{"award-number":["24-43-02049"]}],"id":[{"id":"https:\/\/ror.org\/03y2gwe85","id-type":"ROR","asserted-by":"publisher"}]},{"name":"Department of Science and Technology (DST), International Cooperation Division, New Delhi, India","award":["DST-INT-RUS-RSF-P-81-2023 (G)"],"award-info":[{"award-number":["DST-INT-RUS-RSF-P-81-2023 (G)"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>While previous studies have illuminated the behavior of poly(gallol methacrylate)-block-poly(N-phenylmethacrylamide) copolymers (PM-b-PNP) in polar alcoholic mixtures, their performance in non-polar environments remains an uncharted territory. In this study, full-atomistic molecular dynamics (MD) simulations were first employed to investigate the conformational behavior and aggregation of experimentally relevant homo- and block copolymer architectures in heptane. The theoretical findings were subsequently supported through experimental studies using polymers synthesized via controlled reversible addition fragmentation chain transfer (RAFT) polymerization. Our results highlight the critical role of intramolecular hydrogen bonding in stabilizing specific conformations and helix-like structures of PNP homopolymers and the leading role of attractive van der Waals interactions in the aggregation of block copolymers.<\/jats:p>","DOI":"10.3390\/molecules31152695","type":"journal-article","created":{"date-parts":[[2026,8,3]],"date-time":"2026-08-03T06:17:40Z","timestamp":1785737860000},"page":"2695","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Conformational Behavior and Self-Assembly of Gallol-Containing Block Copolymers in Non-Polar Media"],"prefix":"10.3390","volume":"31","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-7883-8119","authenticated-orcid":false,"given":"Nikolay K.","family":"Balabaev","sequence":"first","affiliation":[{"name":"Enikolopov Institute of Synthetic Polymeric Materials RAS, Moscow 119991, Russia"},{"name":"Institute of Mathematical Problems of Biology RAS\u2014The Branch of Keldysh Institute of Applied Mathematics of Russian Academy of Sciences, Pushchino 142290, Moscow Region, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0004-8759-4709","authenticated-orcid":false,"given":"Puja","family":"Poddar","sequence":"additional","affiliation":[{"name":"Polymer Research Centre and Centre for Advanced Functional Materials, Department of Chemical Sciences, Indian Institute of Science Education and Research Kolkata, Mohanpur 741246, West Bengal, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0006-3796-6345","authenticated-orcid":false,"given":"Subhadeep","family":"Shit","sequence":"additional","affiliation":[{"name":"Polymer Research Centre and Centre for Advanced Functional Materials, Department of Chemical Sciences, Indian Institute of Science Education and Research Kolkata, Mohanpur 741246, West Bengal, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9405-4509","authenticated-orcid":false,"given":"Sergei N.","family":"Chvalun","sequence":"additional","affiliation":[{"name":"Enikolopov Institute of Synthetic Polymeric Materials RAS, Moscow 119991, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5486-3395","authenticated-orcid":false,"given":"Priyadarsi","family":"De","sequence":"additional","affiliation":[{"name":"Polymer Research Centre and Centre for Advanced Functional Materials, Department of Chemical Sciences, Indian Institute of Science Education and Research Kolkata, Mohanpur 741246, West Bengal, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1716-7010","authenticated-orcid":false,"given":"Elena Yu.","family":"Kramarenko","sequence":"additional","affiliation":[{"name":"Faculty of Physics, Lomonosov Moscow State University, Moscow 119991, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2026,8,3]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"503","DOI":"10.1080\/10601325.2024.2345918","article-title":"RAFT mediated dispersion copolymerization of glycidyl methacrylate and octadecyl methacrylate","volume":"61","author":"Goswami","year":"2024","journal-title":"J. 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