Sofosbuvir Polymorphs Distinguished by Linearly and Circularly Polarized Raman Microscopy
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F24%3A00602591" target="_blank" >RIV/61388963:_____/24:00602591 - isvavai.cz</a>
Alternative codes found
RIV/61989592:15310/24:73626815 RIV/60461373:22340/24:43931309
Result on the web
<a href="https://doi.org/10.1021/acs.analchem.4c03573" target="_blank" >https://doi.org/10.1021/acs.analchem.4c03573</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.analchem.4c03573" target="_blank" >10.1021/acs.analchem.4c03573</a>
Alternative languages
Result language
angličtina
Original language name
Sofosbuvir Polymorphs Distinguished by Linearly and Circularly Polarized Raman Microscopy
Original language description
Most currently marketed pharmaceuticals are manufactured in the solid state, where the bioavailability of the active pharmaceutical ingredient (API) can be optimized through different polymorphs, cocrystals, solvates, or salts. Efficient techniques are needed to monitor the structure of pharmaceuticals during production. Here, we explore the potential of linearly and circularly polarized Raman microscopy for distinguishing three polymorphs of sofosbuvir, an antiviral drug used to treat hepatitis C. Raman spectra were recorded on a Raman microscope for a polycrystalline API diluted in a KBr matrix. To understand spectral features including the low-frequency region, we simulated band frequencies and intensities using quantum-chemical computational strategies based on cluster and transfer approaches. Very good agreement was achieved between simulated and experimental intensities. The 20 to 200 cm-1 wavenumber region appeared particularly useful for polymorph discrimination already based on unpolarized measurements. The depolarization ratios obtained from linearly polarized Raman spectra made the distinction even more reliable. Moreover, circularly polarized Raman spectra and normalized degrees of circularity provided useful additional information and revealed several tentative markers of the different polymorphs of sofosbuvir. Although in some spectral regions the differences were less obvious, the results indicate that polarized Raman microscopy is a handy tool for discriminating between polymorphs of APIs and other compounds.
Czech name
—
Czech description
—
Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10301 - Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
Result continuities
Project
<a href="/en/project/GA24-10558S" target="_blank" >GA24-10558S: Development of chiral vibrational spectroscopy for solid state systems</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Analytical Chemistry
ISSN
0003-2700
e-ISSN
1520-6882
Volume of the periodical
96
Issue of the periodical within the volume
48
Country of publishing house
US - UNITED STATES
Number of pages
11
Pages from-to
18983-18993
UT code for WoS article
001360687500001
EID of the result in the Scopus database
2-s2.0-85209767161