The interpretation of large datasets acquired using high performance liquid chromatography coupled with tandem mass spectrometry represents one of the major challenges in natural products research. Here we propose the use of molecular networking to rapid identify the known secondary metabolites from untargeted MS/MS analysis of plant extracts. The leaves, stems and roots of were extracted using different solvents according to Snyder selectivity triangle. The samples were analyzed by HPLC coupled with ion trap mass spectrometer in a collision-induced dissociation MS/MS configuration in both positive and negative electrospray ionization modes. Molecular networking simultaneously organized the spectra by cosine similarity. The chemical identification was performed based on the systematic study of the main fragmentation pathways observed for the resulting network. The untargeted tandem mass spectrometry-based molecular networking allowed for the identification of 63 metabolites, mainly mono-, di- and tri-, - and/or-glycosyl flavones. Molecular networking was capable not only to dereplicate known flavonoids, but also to point out related prenyl derivatives, described for the first time in species. The gas-phase reaction route to form the characteristic [M-HO-(30/60/90)] fragments in -glycosyl flavones was suggested as sequential sugar ring opening followed by retro-aldol elimination involving aldose-ketose isomerization. The use of molecular networking with LC-CID-MS/MS assisted the identification of various isomeric and isobaric flavonoid glycoconjugates by establishing clusters according to the fragmentation similarities. Additionally, the proposed cross-ring sugar cleavages can contribute to the identification of-glycosides by MS/MS analysis.

Indicação: auxiliar no processo de cicatrização de feridas: úlceras por pressão (escaras) de graus I, II e III, úlceras venosas, arteriais e diabéticas; feridas decorrentes de queimaduras; tratamento de feridas crônicas ou agudas com ou sem infecção; tratamento de Eczemas: Atópico, Asteatósico, de Estase e Radiodermite. Modo de usar: Na cicatrização, irrigar a lesão com soro ¬fisiológico, secar a pele ao redor e aplicar o óleo diretamente sobre a lesão. Ocluir com gaze estéril. Fixar conforme a necessidade do local afetado e reaplicar a cada 12 horas (doze horas). Na prevenção de úlceras por pressão, aplicar o óleo nas regiões afetadas, após higienização da pele. Precauções: Uso externo, não deve ser ingerido. Mantenha fora do alcance de crianças. Não estéril. Armazenamento: Conservar em local seco, em temperatura ambiente (15 °C-30 °C).

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Ethanol extracts of different parts of P. cincinnata were obtained by maceration. The total phenolic and flavonoid contents were evaluated. The antioxidant activities were determined by β-carotene-linoleic acid bleaching test, 2,2-diphenyl-1-picrylhydrazil (DPPH), and 2,2'-azinobis-3-ethylbenzothiazoline-6-sulfonic acid (ABTS) radical scavenging. The crude ethanol stem extract showed the highest amount of total polyphenols (45.53 mg gallic acid equivalent/g) while the highest total flavonoid contents (1.42 mg of quercetin equivalent/g) were observed in the leaf extract. The lowest IC 50 (25.65 μg/ml) by the DPPH method was observed for the stem extract. The ABTS method showed a significant antioxidant activity for all investigated extracts.The secondary metabolite composition of ethanol extracts was assessed by HPLC-DAD-MS/MS analysis, leading to the identification of fourteen secondary metabolites in P. cincinnata extracts. These results showed the potentiality of this species as a source of phenolic compounds and antioxidants.

The results showed that both VGL and VGB have a significant antifungal against S. schenckii and an anti-inflammatory activity. These results can support the use of these extracts for alternative treatment of sporotrichosis.

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The proposed fragmentation patterns can be used to differentiate anthrones from oxanthrones in both ion modes. In addition, they can be applied to differentiate these compounds in anthraquinone-rich plants and phytotherapic drugs. Finally, herein, the strategy applied allowed us to identify new natural products. Copyright © 2017 John Wiley & Sons, Ltd.