Raman scattering study of meloxicam molecule and DFT calculations of its possible conformers

• Autorzy: Skonieczny Robert , Osmałek Tomasz , Froelich Anna , Wiśniewska Maria , Nowicka Ariadna B. , Szybowicz Mirosław

Identyfikatory

DOI

10.15199/28.2023.5.3

Warianty tytułu

PL

Spektroskopia Ramana meloksykamu i obliczenia DFT jego możliwych konformerów

• Języki publikacji: EN

Abstrakty

EN

Celem przeprowadzonych badań dla meloksykamu (MLX) było uzyskanie informacji o możliwych izomerach konformacyjnych oraz stabilności termicznej wybranych konformerów MLX. Obliczenia z wykorzystaniem teorii funkcjonału gęstości (DFT) wskazują na cztery możliwe izomery konformacyjne, które zostały porównane z eksperymentalnym widmem ramanowskim leku. Otrzymane wyniki wskazują, że konformer meloksykamu obserwowany w analizowanej próbce jest stabilny w badanym zakresie temperatur.

PL

The aim of the performed studies for meloxicam (MLX) was to obtain information about possible conformational isomerism and the thermal stability of the selected conformers of MLX. Density functional theory (DFT) calculations show four possible conformational isomers which are compared to the experimental Raman spectrum of the drug. The obtained results indicate that the conformer of meloxicam observed in the analyzed sample is stable within the investigated temperature range.

Słowa kluczowe

EN

meloxicam drug; Raman spectroscopy; DFT calculations; conformational isomerism

PL

meloksykam; spektroskopia Ramana; obliczenia DFT; izomeria konformacyjna

• Wydawca: Wydawnictwo SIGMA-NOT
• Czasopismo: Inżynieria Materiałowa
• Rocznik: 2023
• Tom: Vol. 44, nr 5
• Strony: 16--25
• Opis fizyczny: Bibliogr. 22 poz., rys., tab.

Twórcy

autor

Skonieczny Robert

• Faculty of Materials Engineering and Technical Physics, Poznan University of Technology

• https://orcid.org/0000-0001-8373-2036

autor

Osmałek Tomasz

• Department of Pharmaceutical Technology, Poznan University of Medical Sciences

• https://orcid.org/0000-0002-6939-2888

autor

Froelich Anna

• Department of Pharmaceutical Technology, Poznan University of Medical Sciences

• https://orcid.org/0000-0002-1491-1329

autor

Wiśniewska Maria

• Faculty of Materials Engineering and Technical Physics, Poznan University of Technology
• Łukasiewicz Research Network - Poznan Institute of Technology

• https://orcid.org/0000-0002-5292-2926

autor

Nowicka Ariadna B.

• Faculty of Materials Engineering and Technical Physics, Poznan University of Technology

• https://orcid.org/0000-0002-5482-2427

autor

Szybowicz Mirosław

• Faculty of Materials Engineering and Technical Physics, Poznan University of Technology

• https://orcid.org/0000-0001-8933-571X

Bibliografia

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Uwagi

Opracowanie rekordu ze środków MNiSW, umowa nr SONP/SP/546092/2022 w ramach programu "Społeczna odpowiedzialność nauki" - moduł: Popularyzacja nauki i promocja sportu (2024).