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CC-BY - Uznanie autorstwaRelation between crystal structures of precursors and final products: example of vitamin D intermediates
| dc.abstract.en | n this paper, we proved that the solid-state structure of vitamin D analog is well represented by the structures of its structural fragments. This is important in predicting the biological activity of vitamin D analogs that are not available in the solid form. The previously published crystal structure of advanced vitamin D intermediate provided additional insights into vitamin D properties. A similar analysis based on simple vitamin D intermediate analogues showed that precursors crystallized in the space groups typical for vitamins D; geometrical parameters were related to the corresponding parameters in the vitamin D analogues; and crystal structures of the basic intermediates and their final products contained similar intermolecular interactions, essential for the infinite hydrogen bond motif observed in the vitamin D analogues. The energy of these interactions is related as shown by theoretical calculations, that is, energy frameworks analysis. Moreover, analysis of the hydrogen bonds motifs revealed a relation between these motifs and the absolute configuration of basic intermediates as well as the space orientation of the exocyclic methylene group in the final structures |
| dc.affiliation | Uniwersytet Warszawski |
| dc.contributor.author | Malińska, Maura |
| dc.contributor.author | Wanat, Monika |
| dc.contributor.author | Kutner, Andrzej |
| dc.contributor.author | Woźniak, Krzysztof |
| dc.date.accessioned | 2024-01-25T19:10:32Z |
| dc.date.available | 2024-01-25T19:10:32Z |
| dc.date.copyright | 2020-04-13 |
| dc.date.issued | 2020 |
| dc.description.accesstime | AT_PUBLICATION |
| dc.description.finance | Środki finansowe, o których mowa w art. 365 pkt. 2 ustawy |
| dc.description.number | 8 |
| dc.description.version | FINAL_PUBLISHED |
| dc.description.volume | 25 |
| dc.identifier.doi | 10.3390/MOLECULES25081802 |
| dc.identifier.issn | 1420-3049 |
| dc.identifier.uri | https://repozytorium.uw.edu.pl//handle/item/118293 |
| dc.identifier.weblink | http://www.mdpi.com/ |
| dc.language | eng |
| dc.pbn.affiliation | chemical sciences |
| dc.relation.ispartof | Molecules |
| dc.relation.pages | art.no. 1802 |
| dc.rights | CC-BY |
| dc.sciencecloud | nosend |
| dc.subject.en | hydrogen bonds |
| dc.subject.en | energy frameworks |
| dc.subject.en | intermolecular interactions |
| dc.title | Relation between crystal structures of precursors and final products: example of vitamin D intermediates |
| dc.type | JournalArticle |
| dspace.entity.type | Publication |