Sökning: onr:"swepub:oai:DiVA.org:su-207665" >
Direct structure de...
Direct structure determination of vemurafenib polymorphism from compact spherulites using 3D electron diffraction
-
Li, Shuting (författare)
-
- Lightowler, Molly (författare)
- Stockholms universitet,Institutionen för material- och miljökemi (MMK)
-
Ou, Xiao (författare)
-
visa fler...
-
Huang, Siyong (författare)
-
Jiang, Yifan (författare)
-
Li, Xizhen (författare)
-
- Zou, Xiaodong (författare)
- Stockholms universitet,Institutionen för material- och miljökemi (MMK)
-
- Xu, Hongyi (författare)
- Stockholms universitet,Institutionen för material- och miljökemi (MMK)
-
Lu, Ming (författare)
-
visa färre...
-
(creator_code:org_t)
- 2023-01-23
- 2023
- Engelska.
-
Ingår i: Communications Chemistry. - : Springer Science and Business Media LLC. - 2399-3669. ; 6
- Relaterad länk:
-
https://doi.org/10.1...
-
visa fler...
-
https://urn.kb.se/re...
-
https://doi.org/10.1...
-
visa färre...
Abstract
Ämnesord
Stäng
- 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.
Ämnesord
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
Hitta via bibliotek
Till lärosätets databas