onr:"swepub:oai:DiVA.org:su-207665"
Sökning: onr:"swepub:oai:DiVA.org:su-207665" > Direct structure de...
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| Fältnamn | Indikatorer | Metadata |
|---|---|---|
| 000 | 03277naa a2200397 4500 | |
| 001 | oai:DiVA.org:su-207665 | |
| 003 | SwePub | |
| 008 | 220803s2023 | |||||||||||000 ||eng| | |
| 024 | 7 | a https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-2076652 URI |
| 024 | 7 | a https://doi.org/10.1038/s42004-022-00804-22 DOI |
| 040 | a (SwePub)su | |
| 041 | a engb eng | |
| 042 | 9 SwePub | |
| 072 | 7 | a ref2 swepub-contenttype |
| 072 | 7 | a art2 swepub-publicationtype |
| 100 | 1 | a Li, Shuting4 aut |
| 245 | 1 0 | a Direct structure determination of vemurafenib polymorphism from compact spherulites using 3D electron diffraction |
| 264 | c 2023-01-23 | |
| 264 | 1 | b Springer Science and Business Media LLC,c 2023 |
| 338 | a print2 rdacarrier | |
| 520 | a The spherulitic morphology is considered to be the most common morphology of crystalline materials and is particularly apparent in melt-crystallized products. Yet, historically, the polycrystalline nature of spherulites has hindered successful crystal structure determination. Here, we report the direct structure determination of a clinical drug, vemurafenib (VMN), in compact spherulite form using 3D electron diffraction (3D ED). VMN has four known polymorphs. We first solved the crystal structures of α-, β-, and γ-VMN from compact spherulites using 3D ED, and the resulting structures were highly consistent with those obtained by single-crystal X-ray diffraction. We then determined the crystal structure of δ-VMN—the least stable polymorph which cannot be cultivated as a single crystal—directly from the compact spherulite sample. We unexpectedly discovered a new polymorph during our studies, denoted as ε-VMN. Single crystals of ε-VMN are extremely thin and not suitable for study by X-ray diffraction. Again, we determined the structure of ε-VMN in a compact spherulite form. This successful structure elucidation of all five VMN polymorphs demonstrates the possibility of directly determining structures from melt-grown compact spherulite samples. Thereby, this discovery will improve the efficiency and broaden the scope of polymorphism research, especially within the field of melt crystallization. | |
| 650 | 7 | a NATURVETENSKAPx Kemix Fysikalisk kemi0 (SwePub)104022 hsv//swe |
| 650 | 7 | a NATURAL SCIENCESx Chemical Sciencesx Physical Chemistry0 (SwePub)104022 hsv//eng |
| 700 | 1 | a Lightowler, Mollyu Stockholms universitet,Institutionen för material- och miljökemi (MMK)4 aut0 (Swepub:su)moli1290 |
| 700 | 1 | a Ou, Xiao4 aut |
| 700 | 1 | a Huang, Siyong4 aut |
| 700 | 1 | a Jiang, Yifan4 aut |
| 700 | 1 | a Li, Xizhen4 aut |
| 700 | 1 | a Zou, Xiaodongu Stockholms universitet,Institutionen för material- och miljökemi (MMK)4 aut0 (Swepub:su)xzou |
| 700 | 1 | a Xu, Hongyiu Stockholms universitet,Institutionen för material- och miljökemi (MMK)4 aut0 (Swepub:su)hxu |
| 700 | 1 | a Lu, Ming4 aut |
| 710 | 2 | a Stockholms universitetb Institutionen för material- och miljökemi (MMK)4 org |
| 773 | 0 | t Communications Chemistryd : Springer Science and Business Media LLCg 6q 6x 2399-3669 |
| 856 | 4 | u https://doi.org/10.1038/s42004-022-00804-2y Fulltext |
| 856 | 4 8 | u https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-207665 |
| 856 | 4 8 | u https://doi.org/10.1038/s42004-022-00804-2 |
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