Berberine isolation from Coscinium fenestratum : optical, electrochemical, and computational studies.

Autor:	Rajapakse RMG; Department of Chemistry, Faculty of Science, University of Peradeniya Peradeniya 20400 Sri Lanka rmgr1521961@gmail.com., Horrocks BR; School of Natural and Environmental Sciences, Newcastle University Newcastle Upon Tyne NE1 4LB UK ben.horrocks@newcastle.ac.uk., Malikaramage AU; Department of Chemistry, Faculty of Science, University of Peradeniya Peradeniya 20400 Sri Lanka rmgr1521961@gmail.com., Gunarathna HMNP; Department of Chemistry, Faculty of Science, University of Peradeniya Peradeniya 20400 Sri Lanka rmgr1521961@gmail.com., Egodawele MGSAMEWDDK; Department of Chemistry, Faculty of Science, University of Peradeniya Peradeniya 20400 Sri Lanka rmgr1521961@gmail.com., Jayasinghe JMS; Department of Chemistry, Faculty of Science, University of Peradeniya Peradeniya 20400 Sri Lanka rmgr1521961@gmail.com., Ranatunga U; Department of Chemistry, Faculty of Science, University of Peradeniya Peradeniya 20400 Sri Lanka rmgr1521961@gmail.com., Herath WHMRNK; Department of Chemistry, Faculty of Science, University of Peradeniya Peradeniya 20400 Sri Lanka rmgr1521961@gmail.com., Sandakelum L; Department of Chemistry, Faculty of Science, University of Peradeniya Peradeniya 20400 Sri Lanka rmgr1521961@gmail.com., Wylie S; Department of Chemistry, Faculty of Science, University of Peradeniya Peradeniya 20400 Sri Lanka rmgr1521961@gmail.com., Abewardana PGPR; Department of Chemistry, Faculty of Science, University of Peradeniya Peradeniya 20400 Sri Lanka rmgr1521961@gmail.com., Seneviratne VN; Department of Chemistry, Faculty of Science, University of Peradeniya Peradeniya 20400 Sri Lanka rmgr1521961@gmail.com., Perera LLK; Department of Chemistry, Faculty of Science, University of Peradeniya Peradeniya 20400 Sri Lanka rmgr1521961@gmail.com., Velauthapillai D; Advanced Nanomaterials for Clean Energy and Health Applications, Faculty of Engineering and Science, Western Norway University of Applied Sciences Campus Bergen, Kronstad Bergen D412 Norway.
Jazyk:	angličtina
Zdroj:	RSC advances [RSC Adv] 2023 Jun 07; Vol. 13 (25), pp. 17062-17073. Date of Electronic Publication: 2023 Jun 07 (Print Publication: 2023).
DOI:	10.1039/d3ra01769a
Abstrakt:	Berberine was extracted from Coscinium fenestratum (tree turmeric) and purified by column chromatography. The UV-Vis absorption spectroscopy of berberine was studied in acetonitrile and aqueous media. TD-DFT calculations employing the B3LYP functional were found to reproduce the general features of the absorption and emission spectra correctly. The electronic transitions to the first and second excited singlet states involve a transfer of electron density from the electron donating methylenedioxy phenyl ring to the electron accepting isoquinolium moiety. An estimate of the electrochemical gap (2.64 V) was obtained from microelectrode voltammetry and good agreement was found with quantum chemical calculations using the cc-pVTZ basis set and the B3LYP, CAM-B3LYP and wB97XD functionals. The calculations indicate spin density of the radical dication is delocalised over the molecule. These basic data are useful for assessment of the synthesis of donor-acceptor polymeric materials employing oxidative polymerization or co-polymerisation of berberine. Competing Interests: There are no conflicts to declare. (This journal is © The Royal Society of Chemistry.)
Databáze:	MEDLINE
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