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dc.contributor.authorFernandes, R.F.*
dc.contributor.authorFerreira, G.R.*
dc.contributor.authorSpielmann, A.A.*
dc.contributor.authorEdwards, Howell G.M.*
dc.contributor.authorde Oliveira, L.F.C.*
dc.date.accessioned2016-09-21T17:16:41Z
dc.date.available2016-09-21T17:16:41Z
dc.date.issued2015-12
dc.identifier.citationFernandes RF, Ferreira GR, Spielmann AA et al (2015) FT-Raman spectroscopy of the Candelaria and Pyxine lichen species: A new molecular structural study. Journal of Molecular Structure. 1102: 57-62.
dc.identifier.urihttp://hdl.handle.net/10454/9344
dc.descriptionNo
dc.description.abstractIn this work the chemistry of the lichens Candelaria fibrosa and Pyxine coccifera have been investigated for the first time using FT-Raman spectroscopy with the help of quantum mechanical DFT calculations to support spectral band assignments. The non-destructive spectral vibrational analysis provided evidence for the presence of pulvinic acid derivatives and conjugated polyenes, which probably belong to a carotenoid with characteristic signatures at ca. 1003, 1158 and 1525 cm−1 assigned respectively to δ(C–CH3), ν(C–C) and ν(Cdouble bond; length as m-dashC) modes. The identification of features arising from chiodectonic acid in the Pyxine species and calycin and pulvinic dilactone pigments in C. fibrosa were assisted by the quantum mechanical DFT calculations. Raman spectroscopy can provide important spectroscopic data for the identification of the biomarker spectral signatures nondestructively for these lichen pigments without the need for chemical extraction processes.
dc.relation.isreferencedbyhttp://dx.doi.org/10.1016/j.molstruc.2015.08.040
dc.subjectLichenized fungi; Raman spectroscopy; Carotenoids; Pulvinic acid derivatives; Chiodectonic acid; Quantum chemical calculations
dc.titleFT-Raman spectroscopy of the Candelaria and Pyxine lichen species: A new molecular structural study
dc.status.refereedYes
dc.typeArticle
dc.type.versionNo full-text in the repository


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