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Catarina L. Silva
Faculdade de Ciências da Vida, Unidade de Ciências Médicas, Universidade da Madeira, Campus Universitário da Penteada, 9020-105 Funchal, Portugal

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Review
Published: 01 July 2021 in Toxics
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Phthalates are a group of chemicals used in a multitude of important industrial products (e.g., medical devices, children’s toys, and food packages), mainly as plasticizers to improve mechanical properties such as flexibility, transparency, durability, and longevity of polyvinyl chloride (PVC). The wide occurrence of phthalates in many consumer products, including foods (e.g., bottled water, soft drinks, wine, milk, and meat) brings that most people are exposed to phthalates every day, which raises some concerns. Adverse health outcomes from phthalates exposure have been associated with endocrine disruption, deformities in the human reproductive system, increased risk of preterm birth, carcinogen exposure, among others. Apprehension related to the health risks and ubiquitous incidence of phthalates in foods inspires the development of reliable analytical approaches that allow their detection and quantification at trace levels. The purpose of the current review is to provide information related to the presence of phthalates in the food chain, highlighting the health risks associated with their exposure. Moreover, an overview of emerging extraction procedures and high-resolution analytical approaches for a comprehensive quantification of phthalates is presented.

ACS Style

Catarina Luís; Manuel Algarra; José Câmara; Rosa Perestrelo. Comprehensive Insight from Phthalates Occurrence: From Health Outcomes to Emerging Analytical Approaches. Toxics 2021, 9, 157 .

AMA Style

Catarina Luís, Manuel Algarra, José Câmara, Rosa Perestrelo. Comprehensive Insight from Phthalates Occurrence: From Health Outcomes to Emerging Analytical Approaches. Toxics. 2021; 9 (7):157.

Chicago/Turabian Style

Catarina Luís; Manuel Algarra; José Câmara; Rosa Perestrelo. 2021. "Comprehensive Insight from Phthalates Occurrence: From Health Outcomes to Emerging Analytical Approaches." Toxics 9, no. 7: 157.

Journal article
Published: 27 February 2021 in Applied Sciences
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Phthalates are multifunctional synthetic chemicals found in a wide array of consumer and industrial products, mainly used to improve the mechanical properties of plastics, giving them flexibility and softness. In the European Union, phthalates are prohibited at levels greater than 0.1% by weight in most food packaging. In the current study, headspace solid-phase microextraction (HS-SPME) combined with gas chromatography-mass spectrometry (GC-MS) was optimized, through the multivariate optimization process, and validated to evaluate the occurrence of four common phthalates, di-iso-butyl phthalate (DIBP), butyl-benzyl phthalate (BBP), di-n-octyl phthalate (DOP), and 2,2,4,4-tetrabromodiphenyl (BDE), in different food packaging. The best extraction efficiency was achieved using the polydimethylsiloxane/divinylbenzene (PDMS/DVB) fiber at 80 °C for 30 min. The validated method showed good linearity, precision (RSD < 13%), and recoveries (90.2 to 111%). The limit of detection (LOD) and of quantification (LOQ) ranged from 0.03 to 0.08 µg/L and from 0.10 to 0.24 µg/L, respectively. On average, the phthalates concentration varied largely among the assayed food packaging. DIBP was the most predominant phthalate in terms of occurrence (71.4% of analyzed simples) and concentration (from 3.61 to 10.7 μg/L). BBP was quantified in only one sample and BDE was detected in trace amounts (

ACS Style

Rosa Perestrelo; Catarina Silva; Manuel Algarra; José Câmara. Evaluation of the Occurrence of Phthalates in Plastic Materials Used in Food Packaging. Applied Sciences 2021, 11, 2130 .

AMA Style

Rosa Perestrelo, Catarina Silva, Manuel Algarra, José Câmara. Evaluation of the Occurrence of Phthalates in Plastic Materials Used in Food Packaging. Applied Sciences. 2021; 11 (5):2130.

Chicago/Turabian Style

Rosa Perestrelo; Catarina Silva; Manuel Algarra; José Câmara. 2021. "Evaluation of the Occurrence of Phthalates in Plastic Materials Used in Food Packaging." Applied Sciences 11, no. 5: 2130.

Review
Published: 04 January 2021 in Metabolites
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Altered lipid metabolism has been associated with the progression of various cancers, and aberrant expression of enzymes involved in the lipid metabolism has been detected in different stages of cancer. Breast cancer (BC) is one of the cancer types known to be associated with alterations in the lipid metabolism and overexpression of enzymes involved in this metabolism. It has been demonstrated that inhibition of the activity of certain enzymes, such as that of phospholipase A2 in BC cell lines sensitizes these cells and decreases the IC50 values for forthcoming therapy with traditional drugs, such as doxorubicin and tamoxifen. Moreover, other phospholipases, such as phospholipase C and D, are involved in intracellular signal transduction, which emphasizes their importance in cancer development. Finally, BC is assumed to be dependent on the diet and the composition of lipids in nutrients. Despite their importance, analytical approaches that can associate the activity of phospholipases with changes in the lipid composition and distribution in cancer tissues are not yet standardized. In this review, an overview of various analytical platforms that are applied on the study of lipids and phospholipase activity in BC tissues will be given, as well as their association with cancer diagnosis and tumor progression. The methods that are applied to tissues obtained from the BC patients will be emphasized and critically evaluated, regarding their applicability in oncology.

ACS Style

Rosa Perestrelo; Marijana Petkovic; Catarina Luís Silva. Analytical Platforms for the Determination of Phospholipid Turnover in Breast Cancer Tissue: Role of Phospholipase Activity in Breast Cancer Development. Metabolites 2021, 11, 32 .

AMA Style

Rosa Perestrelo, Marijana Petkovic, Catarina Luís Silva. Analytical Platforms for the Determination of Phospholipid Turnover in Breast Cancer Tissue: Role of Phospholipase Activity in Breast Cancer Development. Metabolites. 2021; 11 (1):32.

Chicago/Turabian Style

Rosa Perestrelo; Marijana Petkovic; Catarina Luís Silva. 2021. "Analytical Platforms for the Determination of Phospholipid Turnover in Breast Cancer Tissue: Role of Phospholipase Activity in Breast Cancer Development." Metabolites 11, no. 1: 32.

Article
Published: 30 May 2020 in Food Analytical Methods
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Produced in Madeira Island from regional sugarcane cultivars through a traditional manufacturing and storage process, sugarcane honey (SCH) is a black syrup recognized by its excellent quality. Its economic value has led to the emergence of adulterated SCH, whereby the identification of molecular markers became an essential task in order to overcome the fraudulent activities, protect its authenticity, and guarantee the consumer safety. In the present study, an analytical strategy based on ultrasound-assisted liquid-liquid extraction (USA-LLE) followed by reversed-phase liquid chromatography with a refractive index detector (LC-RI) was developed for the determination of sugars (glucose, fructose, sucrose, xylose, and mannose) in SCH samples from certified producers, supported on analytical quality-by-design (AQbD) approach, as a useful tool to establish its typicality. The application of AQbD was based on analytical risk assessment, multivariate statistics and quality control procedures for definition of the Method Operable Design Region (MODR). The optimal conditions into MODR were accomplished using BEH Amide column operating at a temperature of 80 °C and a flow rate of 300 μL min−1, with a mobile phase composed by acetone and water (85:15, v v−1) at a flow rate of 1.0 mL min−1. The robustness was determined by Monte Carlo simulation and capability analysis. The concentration-response function for all sugars was described by polynomial models. Accuracy was presented by recovery values between 98.2 and 119.5%. The analytical figures of merit validated the utility of AQbD in the systematic design of a LC-RI method with fine sensitivity for sugar analysis in SCH.

ACS Style

Pedro Silva; Catarina L. Silva; Rosa Perestrelo; Fernando M. Nunes; José S. Câmara. Application of Quality-by-Design Approach in the Analytical Method Development for Quantification of Sugars in Sugarcane Honey by Reversed-Phase Liquid Chromatography. Food Analytical Methods 2020, 13, 1634 -1649.

AMA Style

Pedro Silva, Catarina L. Silva, Rosa Perestrelo, Fernando M. Nunes, José S. Câmara. Application of Quality-by-Design Approach in the Analytical Method Development for Quantification of Sugars in Sugarcane Honey by Reversed-Phase Liquid Chromatography. Food Analytical Methods. 2020; 13 (8):1634-1649.

Chicago/Turabian Style

Pedro Silva; Catarina L. Silva; Rosa Perestrelo; Fernando M. Nunes; José S. Câmara. 2020. "Application of Quality-by-Design Approach in the Analytical Method Development for Quantification of Sugars in Sugarcane Honey by Reversed-Phase Liquid Chromatography." Food Analytical Methods 13, no. 8: 1634-1649.

Preclinical study
Published: 15 May 2020 in Breast Cancer Research and Treatment
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One of the hallmarks of cancer cells is the demand of supply for the synthesis of new membranes involved in cell proliferation and lipids have an important role in cellular structure, signaling pathways and progression of cancer. In this sense, lipid studies have become an essential tool allowing the establishment of signatures associated with breast cancer (BC). In this regard, some metabolic processes including proteins, nucleic acids and lipid synthesis are enhanced as part of cancer-associated metabolic reprogramming, as a requirement for cell growth and proliferation. Pairwise samples of breast active carcinoma (BAC) and breast cancer-free tissues were collected from n = 28 patients and analyzed by MALDI-TOF MS. Major lipid species are identified in the MALDI-TOF mass spectra, with certain phosphatidylinositols (PIs) detectable only in BAC. Statistical analysis revealed significant differences (p < 0.05) between ratios lysophosphatidylcholine (LPC) 16:0/phosphatidylcholine (PC) 16:0_18:2 between AC and CF groups as well as for BC stages II and III. The ratio PC 16:0_18:2/PC16:0_18:1 was statistically different between AC and CF groups. The one-way ANOVA revealed that there are no statistical differences among BC stages (I, II and III) within AC group. Comparing BC stages, the significance impact increased (p < 0.05) with stage. The obtained data revealed MALDI-TOF MS as a powerful tool to explore lipid signatures and the enzyme activity associated with BC and possibly establish novel disease markers.

ACS Style

Catarina L. Silva; Rosa Perestrelo; Ivo Sousa-Ferreira; Filipa Capelinha; José S. Câmara; Marijana Petković. Lipid biosignature of breast cancer tissues by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry. Breast Cancer Research and Treatment 2020, 182, 9 -19.

AMA Style

Catarina L. Silva, Rosa Perestrelo, Ivo Sousa-Ferreira, Filipa Capelinha, José S. Câmara, Marijana Petković. Lipid biosignature of breast cancer tissues by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry. Breast Cancer Research and Treatment. 2020; 182 (1):9-19.

Chicago/Turabian Style

Catarina L. Silva; Rosa Perestrelo; Ivo Sousa-Ferreira; Filipa Capelinha; José S. Câmara; Marijana Petković. 2020. "Lipid biosignature of breast cancer tissues by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry." Breast Cancer Research and Treatment 182, no. 1: 9-19.

Review
Published: 25 February 2020 in Beverages
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Madeira wine is a fortified Portuguese wine, which has a crucial impact on the Madeira Island economy. The particular properties of Madeira wine result from the unique and specific winemaking and ageing processes that promote the occurrence of chemical reactions among acids, sugars, alcohols, and polyphenols, which are important to the extraordinary quality of the wine. These chemical reactions contribute to the appearance of novel compounds and/or the transformation of others, consequently promoting changes in qualitative and quantitative volatile and non-volatile composition. The current review comprises an overview of Madeira wines related to volatile (e.g., terpenes, norisoprenoids, alcohols, esters, fatty acids) and non-volatile composition (e.g., polyphenols, organic acids, amino acids, biogenic amines, and metals). Moreover, types of aroma compounds, the contribution of volatile organic compounds (VOCs) to the overall Madeira wine aroma, the change of their content during the ageing process, as well as the establishment of the potential ageing markers will also be reviewed. The viability of several analytical methods (e.g., gas chromatography-mass spectrometry (GC-MS), two-dimensional gas chromatography and time-of-flight mass spectrometry (GC×GC-ToFMS)) combined with chemometrics tools (e.g., partial least squares regression (PLS-R), partial least squares discriminant analysis (PLS-DA) was investigated to establish potential ageing markers to guarantee the Madeira wine authenticity. Acetals, furanic compounds, and lactones are the chemical families most commonly related with the ageing process.

ACS Style

Rosa Perestrelo; Catarina Silva; Carolina Gonçalves; Mariangie Castillo; José S. Câmara. An Approach of the Madeira Wine Chemistry. Beverages 2020, 6, 12 .

AMA Style

Rosa Perestrelo, Catarina Silva, Carolina Gonçalves, Mariangie Castillo, José S. Câmara. An Approach of the Madeira Wine Chemistry. Beverages. 2020; 6 (1):12.

Chicago/Turabian Style

Rosa Perestrelo; Catarina Silva; Carolina Gonçalves; Mariangie Castillo; José S. Câmara. 2020. "An Approach of the Madeira Wine Chemistry." Beverages 6, no. 1: 12.

Journal article
Published: 01 December 2019 in Foods
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Terpenoids, including monoterpenoids (C10), norisoprenoids (C13), and sesquiterpenoids (C15), constitute a large group of plant-derived naturally occurring secondary metabolites with highly diverse chemical structures. A quantitative structure–activity relationship (QSAR) model to predict terpenoid toxicity and to evaluate the influence of their chemical structures was developed in this study by assessing in real time the toxicity of 27 terpenoid standards using the Gram-negative bioluminescent Vibrio fischeri. Under the test conditions, at a concentration of 1 µM, the terpenoids showed a toxicity level lower than 5%, with the exception of geraniol, citral, (S)-citronellal, geranic acid, (±)-α-terpinyl acetate, and geranyl acetone. Moreover, the standards tested displayed a toxicity level higher than 30% at concentrations of 50–100 µM, with the exception of (+)-valencene, eucalyptol, (+)-borneol, guaiazulene, β-caryophellene, and linalool oxide. Regarding the functional group, terpenoid toxicity was observed in the following order: alcohol > aldehyde ~ ketone > ester > hydrocarbons. The CODESSA software was employed to develop QSAR models based on the correlation of terpenoid toxicity and a pool of descriptors related to each chemical structure. The QSAR models, based on t-test values, showed that terpenoid toxicity was mainly attributed to geometric (e.g., asphericity) and electronic (e.g., maximum partial charge for a carbon (C) atom (Zefirov’s partial charge (PC)) descriptors. Statistically, the most significant overall correlation was the four-parameter equation with a training coefficient and test coefficient correlation higher than 0.810 and 0.535, respectively, and a square coefficient of cross-validation (Q2) higher than 0.689. According to the obtained data, the QSAR models are suitable and rapid tools to predict terpenoid toxicity in a diversity of food products.

ACS Style

Rosa Perestrelo; Catarina Silva; Miguel Xavier Fernandes; José S. Câmara. Prediction of Terpenoid Toxicity Based on a Quantitative Structure–Activity Relationship Model. Foods 2019, 8, 628 .

AMA Style

Rosa Perestrelo, Catarina Silva, Miguel Xavier Fernandes, José S. Câmara. Prediction of Terpenoid Toxicity Based on a Quantitative Structure–Activity Relationship Model. Foods. 2019; 8 (12):628.

Chicago/Turabian Style

Rosa Perestrelo; Catarina Silva; Miguel Xavier Fernandes; José S. Câmara. 2019. "Prediction of Terpenoid Toxicity Based on a Quantitative Structure–Activity Relationship Model." Foods 8, no. 12: 628.

Journal article
Published: 07 November 2019 in Metabolites
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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.

ACS Style

Catarina L. Silva; Ana Olival; Rosa Perestrelo; Pedro Silva; Helena Tomás; José S. Câmara. Untargeted Urinary 1H NMR-Based Metabolomic Pattern as a Potential Platform in Breast Cancer Detection. Metabolites 2019, 9, 269 .

AMA Style

Catarina L. Silva, Ana Olival, Rosa Perestrelo, Pedro Silva, Helena Tomás, José S. Câmara. Untargeted Urinary 1H NMR-Based Metabolomic Pattern as a Potential Platform in Breast Cancer Detection. Metabolites. 2019; 9 (11):269.

Chicago/Turabian Style

Catarina L. Silva; Ana Olival; Rosa Perestrelo; Pedro Silva; Helena Tomás; José S. Câmara. 2019. "Untargeted Urinary 1H NMR-Based Metabolomic Pattern as a Potential Platform in Breast Cancer Detection." Metabolites 9, no. 11: 269.

Preprint
Published: 02 October 2019
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Terpenoids, including monoterpenoids (C10), norisoprenoids (C13) and sesquiterpenoids (C15), constitute a large group of plant-derived naturally occurring secondary metabolites which chemical structure is highly diverse. A quantitative structure-activity relationship (QSAR) model to predict the terpenoids toxicity and to evaluate the influences of their chemical structure, was developed in this study, by assessing the toxicity of 27 terpenoid standards using Gram-negative bioluminescent Vibrio fischeri, in real time. Under the test conditions, at concentration of 1 µM, the terpenoids showed a toxicity level lower than five %, with exception of geraniol, citral, (S)-citronellal, geranic acid, (±)-α-terpinyl acetate and geranyl acetone. Moreover, the standards tested displayed a toxicity level higher than 30 % at concentration of 50 to 100 µM, with the exception of (+)-valencene, eucalyptol, (+)-borneol, guaiazulene, β-caryophellene and linalool oxide. Regarding the functional group, the terpenoids toxicity was observed in the following order: alcohol > aldehyde ~ ketone > ester > hydrocarbons. CODESSA software was employed to develop the QSAR models based on the correlation of terpenoids toxicity and a pool of descriptors related to each chemical structure. The QSAR models, based on t-test values, showed that terpenoids toxicity was mainly attributed to geometric (e.g., asphericity) and electronic (e.g., max partial charge for a C atom [Zefirov's PC]) descriptors. Statistically, the most significant overall correlation was the four-parameter equation with training and test coefficient correlation higher than 0.810 and 0.535, respectively, and square coefficient of cross-validation (Q2) higher than 0.689. According to the obtained data, the QSAR models are a suitable and a rapid tool to predict the terpenoids toxicity in a diversity of food products.

ACS Style

Rosa Perestrelo; Catarina Silva; Miguel X. Fernandes; José S. Câmara. Prediction of Terpenoids Toxicity Based on Quantitative Structure-Activity Relationships Model. 2019, 1 .

AMA Style

Rosa Perestrelo, Catarina Silva, Miguel X. Fernandes, José S. Câmara. Prediction of Terpenoids Toxicity Based on Quantitative Structure-Activity Relationships Model. . 2019; ():1.

Chicago/Turabian Style

Rosa Perestrelo; Catarina Silva; Miguel X. Fernandes; José S. Câmara. 2019. "Prediction of Terpenoids Toxicity Based on Quantitative Structure-Activity Relationships Model." , no. : 1.

Journal article
Published: 21 August 2019 in Molecules
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In the present study we aimed to investigate the volatile organic compounds (VOCs) that may potentially be responsible for specific descriptors of Madeira wine providing details about Madeira wine aroma notes at molecular level. Moreover, the wine aroma profile, based on the obtained data, will be a starting point to evaluate the impact of grape variety (Malvasia, Bual, Sercial, Verdelho and Tinta Negra), type (sweet, medium sweet, dry and medium dry), and age (from 3 to 20 years old) on Madeira wine sensorial properties. Firstly, a comprehensive and in-depth Madeira wine volatile profiling was carried out using headspace solid-phase microextraction combined with gas chromatography-mass spectrometry (HS–SPME/GC–qMS). Secondly, a relation among the varietal, fermentative and aging aroma compounds, and their aroma descriptors with the Madeira wine sensorial properties was assessed. A total of 82 VOCs, belonging to different chemical families were identified, namely 21 esters, 13 higher alcohols, ten terpenic compounds, nine fatty acids, seven furanic compounds, seven norisoprenoids, six lactones, four acetals, four volatile phenols and one sulphur compound. From a sensorial point of view, during the aging process the wine lost its freshness and fruitiness odor related to the presence of some varietal and fermentative compounds, whereas other descriptors such as caramel, dried fruits, spicy, toasty and woody, arose during ageing. The Maillard reaction and diffusion from the oak were the most important pathways related with these descriptors. A relationship-based approach was used to explore the impact of grape variety, wine type, and age on Madeira wine sensorial properties based on shared number of VOCs and their odors.

ACS Style

Rosa Perestrelo; Catarina Silva; José S. Câmara. Madeira Wine Volatile Profile. A Platform to Establish Madeira Wine Aroma Descriptors. Molecules 2019, 24, 3028 .

AMA Style

Rosa Perestrelo, Catarina Silva, José S. Câmara. Madeira Wine Volatile Profile. A Platform to Establish Madeira Wine Aroma Descriptors. Molecules. 2019; 24 (17):3028.

Chicago/Turabian Style

Rosa Perestrelo; Catarina Silva; José S. Câmara. 2019. "Madeira Wine Volatile Profile. A Platform to Establish Madeira Wine Aroma Descriptors." Molecules 24, no. 17: 3028.

Review
Published: 22 May 2019 in Metabolites
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Cancer is a major health issue worldwide for many years and has been increasing significantly. Among the different types of cancer, breast cancer (BC) remains the leading cause of cancer-related deaths in women being a disease caused by a combination of genetic and environmental factors. Nowadays, the available diagnostic tools have aided in the early detection of BC leading to the improvement of survival rates. However, better detection tools for diagnosis and disease monitoring are still required. In this sense, metabolomic NMR, LC-MS and GC-MS-based approaches have gained attention in this field constituting powerful tools for the identification of potential biomarkers in a variety of clinical fields. In this review we will present the current analytical platforms and their applications to identify metabolites with potential for BC biomarkers based on the main advantages and advances in metabolomics research. Additionally, chemometric methods used in metabolomics will be highlighted.

ACS Style

Catarina Silva; Rosa Perestrelo; Pedro Silva; Helena Tomás; José S. Câmara. Breast Cancer Metabolomics: From Analytical Platforms to Multivariate Data Analysis. A Review. Metabolites 2019, 9, 102 .

AMA Style

Catarina Silva, Rosa Perestrelo, Pedro Silva, Helena Tomás, José S. Câmara. Breast Cancer Metabolomics: From Analytical Platforms to Multivariate Data Analysis. A Review. Metabolites. 2019; 9 (5):102.

Chicago/Turabian Style

Catarina Silva; Rosa Perestrelo; Pedro Silva; Helena Tomás; José S. Câmara. 2019. "Breast Cancer Metabolomics: From Analytical Platforms to Multivariate Data Analysis. A Review." Metabolites 9, no. 5: 102.

Paper
Published: 14 May 2019 in The Analyst
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Breast cancer (BC), ranked as the fifth amongst all cancers, remains at the top of women's cancers worldwide.

ACS Style

Catarina Silva; Rosa Perestrelo; Pedro Silva; Filipa Capelinha; Helena Tomás; José S. Câmara. Volatomic pattern of breast cancer and cancer-free tissues as a powerful strategy to identify potential biomarkers. The Analyst 2019, 144, 4153 -4161.

AMA Style

Catarina Silva, Rosa Perestrelo, Pedro Silva, Filipa Capelinha, Helena Tomás, José S. Câmara. Volatomic pattern of breast cancer and cancer-free tissues as a powerful strategy to identify potential biomarkers. The Analyst. 2019; 144 (14):4153-4161.

Chicago/Turabian Style

Catarina Silva; Rosa Perestrelo; Pedro Silva; Filipa Capelinha; Helena Tomás; José S. Câmara. 2019. "Volatomic pattern of breast cancer and cancer-free tissues as a powerful strategy to identify potential biomarkers." The Analyst 144, no. 14: 4153-4161.

Comparative study
Published: 10 April 2019 in Food Chemistry
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In this study, two different high-throughput microextraction techniques, microextraction by packed sorbents (MEPS) and micro solid phase extraction (μ-SPEed®), were evaluated and compared, regarding the performance criteria, for the isolation of polyphenols from baby foods prior to their determination by ultrahigh pressure liquid chromatography (UHPLC). To achieve the best performance, influential parameters affecting extraction efficiency (including type of sorbent, number of extraction cycles, pH, elution solvent and elution volume) were systematically studied and optimized. To enable an effective comparison, selectivity, linear dynamic range, method detection (LODs) and quantification limits (LOQs), accuracy, precision and extraction yields, were determined and discussed for both techniques. Both methods provided the analytical selectivity required for the analysis of polyphenols in baby foods. However, μ-SPEed® sample treatment in combination with UHPLC-PDA has demonstrated to be more sensitive, selective and efficient than MEPS. Appropriate linearity in solvent and matrix-based calibrations, very low LODs and LOQs, ranging between 1.37 – 13.57 μg kg-1 and 4.57 – 45.23 μg kg-1, respectively, suitable recoveries (from 67 to 97 %) and precision (RSD values < 5%) were achieved for the selected analytes by μ-SPEed®/UHPLC-PDA. Finally, the validated methodologies were applied to different commercial baby foods. Gallic acid, chlorogenic acid, epicatechin, ferulic acid, rutin, naringenin and myricetin are the most dominant polyphenols present in the studied baby food samples. The proposed methodology revealed a promising approach to evaluate the nutritional quality of this kind of products.

ACS Style

Natalia Casado; Rosa Perestrelo; Catarina L. Silva; Isabel Sierra; José S. Câmara. Comparison of high-throughput microextraction techniques, MEPS and μ-SPEed, for the determination of polyphenols in baby food by ultrahigh pressure liquid chromatography. Food Chemistry 2019, 292, 14 -23.

AMA Style

Natalia Casado, Rosa Perestrelo, Catarina L. Silva, Isabel Sierra, José S. Câmara. Comparison of high-throughput microextraction techniques, MEPS and μ-SPEed, for the determination of polyphenols in baby food by ultrahigh pressure liquid chromatography. Food Chemistry. 2019; 292 ():14-23.

Chicago/Turabian Style

Natalia Casado; Rosa Perestrelo; Catarina L. Silva; Isabel Sierra; José S. Câmara. 2019. "Comparison of high-throughput microextraction techniques, MEPS and μ-SPEed, for the determination of polyphenols in baby food by ultrahigh pressure liquid chromatography." Food Chemistry 292, no. : 14-23.

Journal article
Published: 10 March 2019 in Molecules
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In the current study, a comprehensive approach based on headspace solid-phase microextraction (HS-SPME), combined with gas chromatography-quadrupole mass spectrometry (GC-qMS), was used to establish the volatile signature of fresh and processed fruit juices, obtained from the same batch of grapes, red fruits, orange, pear, and apple. This is a powerful tool for evaluating the impact of the production process on the volatomic pattern of fruit juice. A total of 169 volatile organic compounds (VOCs) belonging to different chemical groups were identified. Esters, carbonyl compounds, terpenoids, and alcohols are the major chemical groups in the investigated fruit juices. However, their contribution to the total volatile profile varied. Special attention should be paid to processed fruit juices to avoid the possible deleterious effects associated with the formation of furanic compounds (e.g., heat treatment), since their furanic content was significantly higher in comparison to that of fresh fruit juices. The knowledge obtained in the current study will allow for the introduction of modifications to the process involved in processing juice, which will improve the organoleptic characteristics of processed juices, contributing to a better acceptance by consumers. Furthermore, more assays should be performed to assess the effect of harvests, geography, and agronomy on the volatile profile of juices.

ACS Style

Rosa Perestrelo; Catarina Silva; Pedro Silva; Sonia Medina; José S. Câmara. Differentiation of Fresh and Processed Fruit Juices Using Volatile Composition. Molecules 2019, 24, 974 .

AMA Style

Rosa Perestrelo, Catarina Silva, Pedro Silva, Sonia Medina, José S. Câmara. Differentiation of Fresh and Processed Fruit Juices Using Volatile Composition. Molecules. 2019; 24 (5):974.

Chicago/Turabian Style

Rosa Perestrelo; Catarina Silva; Pedro Silva; Sonia Medina; José S. Câmara. 2019. "Differentiation of Fresh and Processed Fruit Juices Using Volatile Composition." Molecules 24, no. 5: 974.

Journal article
Published: 23 February 2018 in Molecules
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The flavoring of vinegars with aromatic fruits and medicinal herbs is a practice with increasing trend mostly in countries with oenological tradition, resulting in a product of improved quality and consumer attractiveness. This study was directed towards the evaluation of the impact of the maceration process on the volatile signature of wine-based aromatic vinegars (WBAVs). The evaluation was performed using solid phase microextraction (SPME) combined with gas chromatography combined with mass spectrometry (GC-MS). Experimental parameters influencing headspace solid (HS)-SPME extraction efficiency, were optimized using an univariate experimental design. The best results were achieved using a polydimethylsiloxane (PDMS) fiber, 10 mL of vinegar sample, at 50 °C for 30 min of extraction. This way One hundred and three volatile organic compounds (VOCs), belonging to different chemical families including ethyl esters (37), higher alcohols (20), fatty acids (10), terpenoids (23), carbonyl compounds (six), lactones (five) and volatile phenols (two), were identified in wine vinegar (control) and WBAV. As far as we know, 34 of these VOCs are reported for the first time in macerated vinegars. Higher alcohols and lactones are the major chemical families in WBAV macerated with apple, whereas terpenoids are predominant in WBAV macerated with banana. The obtained data represent a suitable tool to guarantee the authenticity and genuineness of WBAV, as well as to promote the production of WBAV with improved sensorial and organoleptic properties. To the best of our knowledge, there are no reported studies dealing with the volatile signature of WBAV enriched with banana, passion fruit, apple and pennyroyal.

ACS Style

Rosa Perestrelo; Catarina L. Silva; Pedro Silva; José S. Câmara. Establishment of the Volatile Signature of Wine-Based Aromatic Vinegars Subjected to Maceration. Molecules 2018, 23, 499 .

AMA Style

Rosa Perestrelo, Catarina L. Silva, Pedro Silva, José S. Câmara. Establishment of the Volatile Signature of Wine-Based Aromatic Vinegars Subjected to Maceration. Molecules. 2018; 23 (2):499.

Chicago/Turabian Style

Rosa Perestrelo; Catarina L. Silva; Pedro Silva; José S. Câmara. 2018. "Establishment of the Volatile Signature of Wine-Based Aromatic Vinegars Subjected to Maceration." Molecules 23, no. 2: 499.

Journal article
Published: 03 March 2017 in Scientific Reports
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Breast cancer (BC) remains the most prevalent oncologic pathology in women, causing huge psychological, economic and social impacts on our society. Currently, the available diagnostic tools have limited sensitivity and specificity. Metabolome analysis has emerged as a powerful tool for obtaining information about the biological processes that occur in organisms, and is a useful platform for discovering new biomarkers or make disease diagnosis using different biofluids. Volatile organic compounds (VOCs) from the headspace of cultured BC cells and normal human mammary epithelial cells, were collected by headspace solid-phase microextraction (HS-SPME) and analyzed by gas chromatography combined with mass spectrometry (GC–MS), thus defining a volatile metabolomic signature. 2-Pentanone, 2-heptanone, 3-methyl-3-buten-1-ol, ethyl acetate, ethyl propanoate and 2-methyl butanoate were detected only in cultured BC cell lines. Multivariate statistical methods were used to verify the volatomic differences between BC cell lines and normal cells in order to find a set of specific VOCs that could be associated with BC, providing comprehensive insight into VOCs as potential cancer biomarkers. The establishment of the volatile fingerprint of BC cell lines presents a powerful approach to find endogenous VOCs that could be used to improve the BC diagnostic tools and explore the associated metabolomic pathways.

ACS Style

Catarina Luís Silva; Rosa Perestrelo; Pedro Miguel Capêlo da Silva; Helena Tomás; José Câmara. Volatile metabolomic signature of human breast cancer cell lines. Scientific Reports 2017, 7, srep43969 .

AMA Style

Catarina Luís Silva, Rosa Perestrelo, Pedro Miguel Capêlo da Silva, Helena Tomás, José Câmara. Volatile metabolomic signature of human breast cancer cell lines. Scientific Reports. 2017; 7 (1):srep43969.

Chicago/Turabian Style

Catarina Luís Silva; Rosa Perestrelo; Pedro Miguel Capêlo da Silva; Helena Tomás; José Câmara. 2017. "Volatile metabolomic signature of human breast cancer cell lines." Scientific Reports 7, no. 1: srep43969.

Journal article
Published: 01 March 2017 in Food Control
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Pedro Miguel Capêlo da Silva; Jorge Freitas; Catarina Luís Silva; Rosa Perestrelo; Fernando M. Nunes; José S. Câmara. Establishment of authenticity and typicality of sugarcane honey based on volatile profile and multivariate analysis. Food Control 2017, 73, 1176 -1188.

AMA Style

Pedro Miguel Capêlo da Silva, Jorge Freitas, Catarina Luís Silva, Rosa Perestrelo, Fernando M. Nunes, José S. Câmara. Establishment of authenticity and typicality of sugarcane honey based on volatile profile and multivariate analysis. Food Control. 2017; 73 ():1176-1188.

Chicago/Turabian Style

Pedro Miguel Capêlo da Silva; Jorge Freitas; Catarina Luís Silva; Rosa Perestrelo; Fernando M. Nunes; José S. Câmara. 2017. "Establishment of authenticity and typicality of sugarcane honey based on volatile profile and multivariate analysis." Food Control 73, no. : 1176-1188.

Journal article
Published: 01 November 2015 in Talanta
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Leukotriene B4 (LTB4) is a potent mediator of inflammation and plays a key function in the pathophysiology of chronic asthma. Detectable urinary levels of LTB4, arises from the activation of leukotriene pathways. In this study an ultra-fast, selective and sensitive analytical method based on semi-automatic microextraction by packed sorbents (MEPS) technique, using a new digitally controlled syringe (eVol®) combined with ultra-high pressure liquid chromatography (UHPLC), is proposed for the measurement of urinary LTB4 (U-LTB4) levels in a group of asthmatic patients (APs) and healthy controls (CTRL). Important parameters affecting MEPS performance, namely sorbent type, number of extraction cycles (extract-discard) and elution volume, were evaluated. The optimal experimental conditions among those investigated for the quantification of U-LTB4 in urine samples were as follows: porous graphitic carbon sorbent (PGC), 10 extractions cycle (10×250 μL of sample) and LTB4 elution with 100 μL of acetonitrile. The UHPLC optimum conditions resulted in a mobile phase consisting of 95% (v/v) of acid aqueous solution (v/v), and acetonitrile 5% (v/v); flow rate of 500 µL/min, and a column temperature of 37±0.1 °C. Under optimized conditions the proposed method exhibit good selectivity and sensitivity LOD (0.37 ng/mL) and LOQ (1.22 ng/mL). The recovery ranging from 86.4 to 101.1% for LTB4, with relative standard deviations (% RSD) no larger than 5%. In addition, the method also afforded good results in terms of linearity (r(2)>0.995) within the established concentration range, with a residual deviation for each calibration point below 6%, and intra- and inter-day repeatability in urine samples with RSD values lower than 4 and 5%, respectively. The application of the method to urine samples revealed a tendency towards the increased urinary LTB4 levels in APs (5.42±0.17 ng/mL) when compared to those of CTRL group (from ND to 1.9 ng/mL). Urinary measurement of LTB4 may be an interesting and non-invasive option to assess control of asthma.

ACS Style

Rosa Perestrelo; Catarina Luís Silva; José S. Câmara. Determination of urinary levels of leukotriene B4 using ad highly specific and sensitive methodology based on automatic MEPS combined with UHPLC-PDA analysis. Talanta 2015, 144, 382 -389.

AMA Style

Rosa Perestrelo, Catarina Luís Silva, José S. Câmara. Determination of urinary levels of leukotriene B4 using ad highly specific and sensitive methodology based on automatic MEPS combined with UHPLC-PDA analysis. Talanta. 2015; 144 ():382-389.

Chicago/Turabian Style

Rosa Perestrelo; Catarina Luís Silva; José S. Câmara. 2015. "Determination of urinary levels of leukotriene B4 using ad highly specific and sensitive methodology based on automatic MEPS combined with UHPLC-PDA analysis." Talanta 144, no. : 382-389.

Journal article
Published: 01 February 2015 in Journal of Chromatography A
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An improved, reliable and powerful analytical strategy based on digitally controlled microextraction by packed sorbent (MEPS) combined with ultrahigh pressure liquid chromatography (UHPLC) was validated for the simultaneous identification and quantification of major furanic derivatives, namely 5-hydroxymethyl-2-furaldehyde (5HMF), 5-methyl-2-furaldehyde (5MF), 2-furaldehyde (2F) and 2-furyl methyl ketone (2FMK), in fortified wines. To enhance the extraction efficiency of the target furanic derivates, several influencing extraction parameters, such as number of loading cycles, nature of elution solvent and elution volume, were evaluated and optimized. In addition the ability of different MEPS sorbent materials, namely C2, C8, C18, SIL, M1, R-AX, R-CX and PGC, were also tested. The optimal analytical conditions involved loading 3×200 μL of wine samples through a C8 sorbent in a MEPS syringe placed in the semi-automatic eVolH syringe followed by elution using 200 μL MeOH:H2O (95:5, v/v). The furanic derivates separation was achieved using a CORTECS UPLC(®) C18 analytical column in an ultrafast chromatographic run (within 4 min). The method performance was assessed for dry/medium dry (D/MD) and sweet/medium sweet (S/MS) model wines in terms of selectivity, linearity, limit of detection (LOD), limit of quantitation (LOQ), accuracy, precision and matrix effect, using model wine matrix-matched calibration. Good linearity was obtained with a regression coefficient (r(2)) higher than 0.992. A good precision was attained (RSD<5%) and low LODs were achieved for D/MD (4.5-129.3 ng L(-1)) and S/MS (6.9-285.2 ng L(-1)) model wines. The quantification limits (LOQ) for D/MD model wines ranged from 14.9 to 431.0 ng L(-1), whereas for S/MS model wines range from 23.1 to 950.5 ng L(-1). The method also afforded satisfactory results in terms of accuracy, ranging from 74 to 97% for D/MD wines and between 84 and 99% for S/MS wines. The MEPS(C8)/UHPLC-PDA analytical strategy was successfully applied to analyze furanic derivates in 26 fortified Madeira wines from different types (D/MD, S/MS) and ages. The obtained results revealed the analytical strategy as a suitable tool which combines sensitivity, effectiveness, reduced analysis time and simple analytical procedure. Principal component analysis (PCA) suggested that fortified wines can be organized based on their age on PC1, which are mainly characterized by 5HMF.

ACS Style

Rosa Perestrelo; Catarina L. Silva; José S. Câmara. Quantification of furanic derivatives in fortified wines by a highly sensitive and ultrafast analytical strategy based on digitally controlled microextraction by packed sorbent combined with ultrahigh pressure liquid chromatography. Journal of Chromatography A 2015, 1381, 54 -63.

AMA Style

Rosa Perestrelo, Catarina L. Silva, José S. Câmara. Quantification of furanic derivatives in fortified wines by a highly sensitive and ultrafast analytical strategy based on digitally controlled microextraction by packed sorbent combined with ultrahigh pressure liquid chromatography. Journal of Chromatography A. 2015; 1381 ():54-63.

Chicago/Turabian Style

Rosa Perestrelo; Catarina L. Silva; José S. Câmara. 2015. "Quantification of furanic derivatives in fortified wines by a highly sensitive and ultrafast analytical strategy based on digitally controlled microextraction by packed sorbent combined with ultrahigh pressure liquid chromatography." Journal of Chromatography A 1381, no. : 54-63.

Journal article
Published: 01 October 2014 in Food Chemistry
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The volatile metabolomic patterns from different raw materials commonly used in beer production, namely barley, corn and hop-derived products - such as hop pellets, hop essential oil from Saaz variety and tetra-hydro isomerized hop extract (tetra hop), were established using a suitable analytical procedure based on dynamic headspace solid-phase microextraction (HS-SPME) followed by thermal desorption gas chromatography-quadrupole mass spectrometry detection (GC-qMS). Some SPME extraction parameters were optimized. The best results, in terms of maximum signal recorded and number of isolated metabolites, were obtained with a 50/30 μm DVB/CAR/PDMS coating fiber at 40 °C for 30 min. A set of 152 volatile metabolites comprising ketones (27), sesquiterpenes (26), monoterpenes (19), aliphatic esters (19), higher alcohols (15), aldehydes (11), furan compounds (11), aliphatic fatty acids (9), aliphatic hydrocarbons (8), sulphur compounds (5) and nitrogen compounds (2) were positively identified. Each raw material showed a specific volatile metabolomic profile. Monoterpenes in hop essential oil and corn, sesquiterpenes in hop pellets, ketones in tetra hop and aldehydes and sulphur compounds in barley were the predominant chemical families in the targeted beer raw materials. β-Myrcene was the most dominant volatile metabolite in hop essential oil, hop pellets and corn samples while, in barley, the predominant volatile metabolites were dimethyl sulphide and 3-methylbutanal and, in tetra hop, 6-methyl-2-pentanone and 4-methyl-2-pentanone. Principal component analysis (PCA) showed natural sample grouping among beer raw materials.

ACS Style

João L. Gonçalves; José Aldónio Figueira; Fátima P. Rodrigues; Laura P. Ornelas; Ricardo N. Branco; Catarina L. Silva; José S. Câmara. A powerful methodological approach combining headspace solid phase microextraction, mass spectrometry and multivariate analysis for profiling the volatile metabolomic pattern of beer starting raw materials. Food Chemistry 2014, 160, 266 -280.

AMA Style

João L. Gonçalves, José Aldónio Figueira, Fátima P. Rodrigues, Laura P. Ornelas, Ricardo N. Branco, Catarina L. Silva, José S. Câmara. A powerful methodological approach combining headspace solid phase microextraction, mass spectrometry and multivariate analysis for profiling the volatile metabolomic pattern of beer starting raw materials. Food Chemistry. 2014; 160 ():266-280.

Chicago/Turabian Style

João L. Gonçalves; José Aldónio Figueira; Fátima P. Rodrigues; Laura P. Ornelas; Ricardo N. Branco; Catarina L. Silva; José S. Câmara. 2014. "A powerful methodological approach combining headspace solid phase microextraction, mass spectrometry and multivariate analysis for profiling the volatile metabolomic pattern of beer starting raw materials." Food Chemistry 160, no. : 266-280.