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- Volatomic pattern of breast cancer and cancer-free tissues as a powerful strategy to identify potential biomarkersPublication . Silva, Catarina; Perestrelo, Rosa; Silva, Pedro; Capelinha, Filipa; Tomás, Helena; Câmara, José S.Breast cancer (BC), ranked as the fifth amongst all cancers, remains at the top of women’s cancers worldwide followed by colorectal, lung, cervix, and stomach cancers. The main handicap of most of the screening/diagnostic methods is based on their low sensitivity and specificity and the invasive behavior of most sampling procedures. The aim of this study was to establish the volatomic pattern of BC and cancer-free (CF) tissues (n = 30) from the same patients, as a powerful tool to identify a set of volatile organic metabolite (VOM) potential BC biomarkers which might be used together or complement with the traditional BC diagnostics strategies, through the integration of chromatographic data, obtained by solid-phase microextraction followed by gas chromatography-mass spectrometry (SPME/GC-qMS), with chemometric tools. A total of four metabolites: limonene, decanoic acid, acetic acid and furfural presented the highest contribution towards discrimination of BC and CF tissues (VIP > 1, p < 0.05). The discrimination efficiency and accuracy of BC tissue metabolites was ascertained by ROC curve analysis that allowed the identification of some metabolites with high sensitivity and specificity. The results obtained with this approach suggest the possibility of identifying endogenous metabolites as a platform to find potential BC biomarkers and pave the way to investigate the related metabolomic pathways in order to improve BC diagnostic tools. Moreover, deeper investigations could unravel novel mechanistic insights into the disease pathophysiology.
- Untargeted urinary 1H NMR-based metabolomic pattern as a potential platform in breast cancer detectionPublication . Silva, Catarina L.; Olival, Ana; Perestrelo, Rosa; Silva, Pedro; Tomás, Helena; Câmara, José S.: Breast cancer (BC) remains the second leading cause of death among women worldwide. An emerging approach based on the identification of endogenous metabolites (EMs) and the establishment of the metabolomic fingerprint of biological fluids constitutes a new frontier in medical diagnostics and a promising strategy to differentiate cancer patients from healthy individuals. In this work we aimed to establish the urinary metabolomic patterns from 40 BC patients and 38 healthy controls (CTL) using proton nuclear magnetic resonance spectroscopy (1H-NMR) as a powerful approach to identify a set of BC-specific metabolites which might be employed in the diagnosis of BC. Orthogonal partial least squares-discriminant analysis (OPLS-DA) was applied to a 1H-NMR processed data matrix. Metabolomic patterns distinguished BC from CTL urine samples, suggesting a unique metabolite profile for each investigated group. A total of 10 metabolites exhibited the highest contribution towards discriminating BC patients from healthy controls (variable importance in projection (VIP) >1, p < 0.05). The discrimination efficiency and accuracy of the urinary EMs were ascertained by receiver operating characteristic curve (ROC) analysis that allowed the identification of some metabolites with the highest sensitivities and specificities to discriminate BC patients from healthy controls (e.g. creatine, glycine, trimethylamine N-oxide, and serine). The metabolomic pathway analysis indicated several metabolism pathway disruptions, including amino acid and carbohydrate metabolisms, in BC patients, namely, glycine and butanoate metabolisms. The obtained results support the high throughput potential of NMR-based urinary metabolomics patterns in discriminating BC patients from CTL. Further investigations could unravel novel mechanistic insights into disease pathophysiology, monitor disease recurrence, and predict patient response towards therapy.
- Improved approach based on MALDI-TOF MS for establishment of the fish mucus protein pattern for geographic discrimination of Sparus aurataPublication . Freitas, Jorge; Silva, Pedro; Perestrelo, Rosa; Vaz-Pires, Paulo; Câmara, José S.Food fraud is still a recurrent practice throughout food supply chains. In the case of seafood, misidentification of species and products repackaging constitute the most common frauds. Therefore, the development of appropriate analytical approaches to be used against food fraud is necessary. The present study goal is to explore for the first time, the possibility to differentiate between Sparus aurata from two different mariculture farms located in Madeira Island (Caniçal and Ribeira Brava), using the mass fingerprint of fish mucus obtained from MALDI-TOF MS and analyzed using Mass-UP software for multivariate statistical analysis and biomarker identification. It was possible to establish, from the mucus protein fraction, a set of potential biomarkers for each location in a total of 35 peaks, being 17 peaks specific to Caniçal located farm and 18 to Ribeira Brava. The proposed analytical approach revealed a useful strategy providing accurate and fast results for fish geographical origin discrimination.
- Untargeted fingerprinting of cider volatiles from different geographical regions by HS-SPME/GC-MSPublication . Perestrelo, Rosa; Silva, Catarina L.; Silva, Pedro; Medina, Sonia; Pereira, Regina; Câmara, José S.The volatomic fingerprint of ciders produced in different geographical regions from Madeira Island was estab lished using headspace solid phase microextraction combined with gas chromatography mass spectrometry (HS SPME/GC–MS) in order to explore the effects of geographical region on the volatile pattern ciders in addition to identify potential molecular geographic markers. A total of 107 volatile organic compounds (VOCs) belonging to different chemical families were identified from which 50 VOCs are common to all ciders analysed. Significant differences in the relative content of VOCs from ciders of different geographical regions were observed. The potential of the identified VOCs for ciders discrimination according to region was assessed through chemometric tools, such as principal components analysis (PCA) and partial least squares-discriminant analysis (PLS-DA). The PCA showed significant differences among ciders from different island geographical regions. Fifteen VOCs re sponsible for ciders discrimination were identified by PLS-DA. Fifteen VOCs, namely five terpenoids, four al cohols, three acids and three esters, present variable importance in projection (VIP) values higher than one. Our findings provide relevant information related to volatile signature of ciders produced in Madeira Island, which may be a useful tool to cider-making process contributing to improve the quality of the final product. In addition, the geographical discrimination recognizes the unique and distinctive characteristics that will allow in the future to protect the quality and typicity of products originating in certain geographical regions.