{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,21]],"date-time":"2026-03-21T06:36:55Z","timestamp":1774075015677,"version":"3.50.1"},"reference-count":36,"publisher":"MDPI AG","issue":"7","license":[{"start":{"date-parts":[[2021,6,23]],"date-time":"2021-06-23T00:00:00Z","timestamp":1624406400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Ministry of Science and Higher Education of Russian Federation","award":["2019-1075"],"award-info":[{"award-number":["2019-1075"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Symmetry"],"abstract":"<jats:p>Supramolecular organic systems can be used as a host for the encapsulation of small organic molecules. Here, we chose melamine barbiturate as a robust system capable of supramolecular assembly and the Rhodamine 6G dye entrapment as a guest molecule. The encapsulation of the dye was investigated by UV-visible spectroscopy, SEM and optical fluorescent microscopy while the insight into the crystal structure of the system was obtained by single crystal and powder XRD. For investigation of the system\u2019s properties on a molecular level, the DFT and Classical Molecular Dynamics methods were utilized. Surprisingly, both theoretical and experimental data show not only the successful encapsulation of Rhodamine 6G molecules inside the supramolecular assembly, but also that inclusion of such molecules leads to the drastic improvement in the organic crystal shape. The melamine barbiturate in presence of the Rhodamine 6G molecules tend to form crystals with lesser degree of twinning and higher symmetry in shape than the ones without dye molecules.<\/jats:p>","DOI":"10.3390\/sym13071119","type":"journal-article","created":{"date-parts":[[2021,6,23]],"date-time":"2021-06-23T21:14:51Z","timestamp":1624482891000},"page":"1119","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":19,"title":["Encapsulation of Rhodamine 6G Dye Molecules for Affecting Symmetry of Supramolecular Crystals of Melamine-Barbiturate"],"prefix":"10.3390","volume":"13","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-4156-7655","authenticated-orcid":false,"given":"Pavel V.","family":"Nesterov","sequence":"first","affiliation":[{"name":"Infochemistry Scientific Center, ITMO University, Lomonosova Str. 9, 191002 Saint-Petersburg, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Vladimir V.","family":"Shilovskikh","sequence":"additional","affiliation":[{"name":"Infochemistry Scientific Center, ITMO University, Lomonosova Str. 9, 191002 Saint-Petersburg, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Alexander D.","family":"Sokolov","sequence":"additional","affiliation":[{"name":"Infochemistry Scientific Center, ITMO University, Lomonosova Str. 9, 191002 Saint-Petersburg, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2730-6264","authenticated-orcid":false,"given":"Vladislav V.","family":"Gurzhiy","sequence":"additional","affiliation":[{"name":"Crystallography Department, Institute of Earth Sciences, Saint-Petersburg State University, University emb. 7\/9, 199034 Saint-Petersburg, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9913-5324","authenticated-orcid":false,"given":"Alexander S.","family":"Novikov","sequence":"additional","affiliation":[{"name":"Infochemistry Scientific Center, ITMO University, Lomonosova Str. 9, 191002 Saint-Petersburg, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Alexandra A.","family":"Timralieva","sequence":"additional","affiliation":[{"name":"Infochemistry Scientific Center, ITMO University, Lomonosova Str. 9, 191002 Saint-Petersburg, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Elena V.","family":"Belogub","sequence":"additional","affiliation":[{"name":"South Urals Federal Research Center of Mineralogy and Geoecology, Urals Branch of Russian Academy of Science, 456317 Miass, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8286-0447","authenticated-orcid":false,"given":"Nikolay D.","family":"Kondratyuk","sequence":"additional","affiliation":[{"name":"Joint Institute for High Temperatures of the Russian Academy of Sciences, 13 Izhorskaya Bd 2, 125412 Moscow, Russia"},{"name":"Moscow Institute of Physics and Technology, 9 Institutskiy per., Dolgoprudny, 141701 Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Nikita D.","family":"Orekhov","sequence":"additional","affiliation":[{"name":"Joint Institute for High Temperatures of the Russian Academy of Sciences, 13 Izhorskaya Bd 2, 125412 Moscow, Russia"},{"name":"Moscow Institute of Physics and Technology, 9 Institutskiy per., Dolgoprudny, 141701 Moscow, Russia"},{"name":"Department of Physics, Bauman Moscow State Technical University, FN-4, 2nd Baumanskaya Str. 5, 105005 Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ekaterina V.","family":"Skorb","sequence":"additional","affiliation":[{"name":"Infochemistry Scientific Center, ITMO University, Lomonosova Str. 9, 191002 Saint-Petersburg, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2021,6,23]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","unstructured":"Matos, J.C., Pereira, L.C.J., Waerenborgh, J.C., and Gon\u00e7alves, M.C. 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