Environmental risk assessment in a contaminated estuary: an integrated weight of evidence approach as a decision support tool

Environmental risk assessment of complex ecosystems such as estuaries is a challenge, where innovative and integrated approaches are needed. The present work aimed at developing an innovative integrative methodology to evaluate in an impacted estuary (the Sado, in Portugal, was taken as case study), the adverse effects onto both ecosystem and human health. For the purpose, new standardized lines of evidence based on multiple quantitative data were integrated into a weight of evidence according to a best expert judgment approach. The best professional judgment for a weight of evidence approach in the present study was based on the following lines of evidence: i) human contamination pathways; ii) human health effects: chronic disease; iii) human health effects: reproductive health; iv) human health effects: health care; v) human exposure through consumption of local agriculture produce; vi) exposure to contaminated of water wells and agriculture soils; vii) contamination of the estuarine sedimentary environment (metal and organic contaminants); viii) effects on benthic organisms with commercial value; and ix) genotoxic potential of sediments. Each line of evidence was then ordinally ranked by levels of ecological or human health risk, according to a tabular decision matrix and expert judgment. Fifteen experts scored two fishing areas of the Sado estuary and a control estuarine area, in a scale of increasing environmental risk and management actions to be taken. The integrated assessment allowed concluding that the estuary should not be regarded as impacted by a specific toxicant, such as metals and organic compounds hitherto measured, but by the cumulative risk of a complex mixture of contaminants. The proven adverse effects on species with commercial value may be used to witness the environmental quality of the estuarine ecosystem. This method argues in favor of expert judgment and qualitative assessment as a decision support tool to the integrative management of estuaries. Namely it allows communicating environmental risk and proposing mitigation measures to local authorities and population under a holistic perspective as an alternative to narrow single line of evidence approaches, which is mandatory to understand cause and effect relationships in complex areas like estuaries.info:eu-repo/semantics/publishedVersio

Dietary sugars analysis: quantification of fructooligossacharides during fermentation by HPLC-RI method

In this work, a simple chromatographic method is proposed and in-house validated for the quantification of total and individual fructooligossacharides (e.g., 1-kestose, nystose, and 1F-fructofuranosylnystose). It was shown that a high-performance liquid chromatography with refractive index detector could be used to monitor the dynamic of fructooligossacharides production via sucrose fermentation using Aspergillus aculeatus. This analytical technique may be easily implemented at laboratorial or industrial scale for fructooligossacharides mass-production monitoring allowing also controlling the main substrate (sucrose) and the secondary by-products (glucose and fructose). The proposed chromatographic method had a satisfactory intra- and inter-day variability (in general, with a relative standard deviation lower than 5%), high sensitivity for each sugar (usually, with a relative error lower than 5%), and low detection (lower than 0.06 ± 0.04 g/L) and quantification (lower than 0.2 ± 0.1 g/L) limits. The correct quantification of fructooligossacharides in fermentative media may allow a more precise nutritional formulation of new functional foods, since it is reported that different fructooligossacharides exhibit different biological activities and effects.This work was partially co-financed by FCT and FEDER under Program COMPETE (Project PEst-C/EQB/LA0020/2013), by the Strategic Project PEst-OE/EQB/LA0023/2013 and by the project ref. RECI/BBB-EBI/0179/2012 (project number FCOMP 01-0124-FEDER-027462) funded by Fundação para a Ciência e a Tecnologia

Electronic tongue: a versatile tool for mineral and fruit-flavored waters recognition

Natural mineral waters (still), effervescent natural mineral waters (sparkling) and aromatized waters with fruit-flavors (still or sparkling) are an emerging market. In this work, the capability of a potentiometric electronic tongue, comprised with lipid polymeric membranes, to quantitatively estimate routinely quality physicochemical parameters (pH and conductivity) as well as to qualitatively classify water samples according to the type of water was evaluated. The study showed that a linear discriminant model, based on 21 sensors selected by the simulated annealing algorithm, could correctly classify 100 % of the water samples (leave-one out cross-validation). This potential was further demonstrated by applying a repeated K-fold cross-validation (guaranteeing that at least 15 % of independent samples were only used for internal-validation) for which 96 % of correct classifications were attained. The satisfactory recognition performance of the E-tongue could be attributed to the pH, conductivity, sugars and organic acids contents of the studied waters, which turned out in significant differences of sweetness perception indexes and total acid flavor. Moreover, the E-tongue combined with multivariate linear regression models, based on sub-sets of sensors selected by the simulated annealing algorithm, could accurately estimate waters pH (25 sensors: R 2 equal to 0.99 and 0.97 for leave-one-out or repeated K-folds cross-validation) and conductivity (23 sensors: R 2 equal to 0.997 and 0.99 for leave-one-out or repeated K-folds cross-validation). So, the overall satisfactory results achieved, allow envisaging a potential future application of electronic tongue devices for bottled water analysis and classification.This study was supported by Fundação para a Ciência e Tecnologia (FCT) and the European Community fund FEDER, under the Program PT2020 (Project UID/EQU/50020/2013) and under the strategic funding of UID/BIO/04469/2013 unit

Discrimination of three bacteria species using a potentiometric electronic tongue

[Excerpt] The detection, monitoring and/or prevention of microorganism growing is of utmost relevance in several research fields, from food to environmental areas, being an important topic either from an academic or an industrial point of view. Conventional methods like plating techniques are the most widely used, being needed novel and faster screening methodologies like electronic noses, electronic tongues (E-tongues) and impedance based methods. In the present work, a potentiometric E-tongue (Fig. 1), comprising 40 lipid polymeric sensor membranes with cross-sensitivity, was used to identify and discriminate three bacteria (Enterococcus faecalis ATCC29212; Staphylococcus aureus ATCC653 and Escherichia coli ATCC29998) at two concentration levels (low and high). [...]info:eu-repo/semantics/publishedVersio

Surveying an activated sludge reactor using online UV-visible and NIR spectroscopy and chemometrics

The performance of activated sludge reactors can be enhanced by the ability to monitor the status of the process without the need for chemicals addition or complex calibration procedures. Nowadays automation is still limited by poor sensor performance and high maintenance costs. Spectroscopic methods associated with chemometrics are being presented as a powerful tool for process monitoring and control. Once implemented, the method is fast, non-destructive and it can be implemented online, permitting to rapidly infer about the status of the process being monitored. In this work, UV-Visible and Near Infra-Red (NIR) Spectroscopy were used to monitor an activated sludge reactor using immersion probes that were connected to the respective spectrophotometers using optical fibbers. During the monitoring period, changes were induced in the system to test the ability of the monitoring scheme to detect them. The results obtained so far show that it is possible to clearly detect changes in the influent composition as well as the effects of a sudden increase in the influent flow which are among the most common problems that can disturb a biological WWT system. The use of the NIR range for this application is not as common as the UV-Visible range and a direct comparison will allow taking conclusions about the advantages and/or disadvantages of one compared to the other

Sensory intensity assessment of olive oils using an electronic tongue

Olive oils may be commercialized as intense, medium or light, according to the intensity perception of fruitiness, bitterness and pungency attributes, assessed by a sensory panel. In this work, the capability of an electronic tongue to correctly classify olive oils according to the sensory intensity perception levels was evaluated. Cross-sensitivity and non-specific lipid polymeric membranes were used as sensors. The sensor device was firstly tested using quinine monohydrochloride standard solutions. Mean sensitivities of 14±2 to 25±6 mV/decade, depending on the type of plasticizer used in the lipid membranes, were obtained showing the device capability for evaluating bitterness. Then, linear discriminant models based on sub-sets of sensors, selected by a meta-heuristic simulated annealing algorithm, were established enabling to correctly classify 91% of olive oils according to their intensity sensory grade (leave-one-out cross-validation procedure). This capability was further evaluated using a repeated K-fold cross-validation procedure, showing that the electronic tongue allowed an average correct classification of 80% of the olive oils used for internal-validation. So, the electronic tongue can be seen as a taste sensor, allowing differentiating olive oils with different sensory intensities, and could be used as a preliminary, complementary and practical tool for panelists during olive oil sensory analysis.This study was supported by Fundação para a Ciência e a Tecnologia (FCT),Portugal and the European Community fund FEDER, under the Program PT2020 (Project UID/EQU/50020/2013); under the strategic funding of UID/BIO/04469/2013 unit; and by Project POCTEP through Project RED/AGROTEC – Experimentation network and transfer for development of agricultural and agroindustrial sectors between Spain and Portugal

A potentiometric electronic tongue as a discrimination tool of water-food indicator/contamination bacteria

Microorganism assessment plays a key role in food quality and safety control but conventional techniques are costly and/or time consuming. Alternatively, electronic tongues (E-tongues) can fulfill this critical task. Thus, a potentiometric lab-made E-tongue (40 lipid sensor membranes) was used to differentiate four common food contamination bacteria, including two Gram positive (Enterococcus faecalis, Staphylococcus aureus) and two Gram negative (Escherichia coli, Pseudomonas aeruginosa). Principal component analysis and a linear discriminant analysis-simulated annealing algorithm (LDA-SA) showed that the potentiometric signal profiles acquired during the analysis of aqueous solutions containing known amounts of each studied bacteria allowed a satisfactory differentiation of the four bacterial strains. An E-tongue-LDA-SA model (12 non-redundant sensors) correctly classified 98 ± 5% of the samples (repeated K-fold-CV), the satisfactory performance of which can be attributed to the capability of the lipid membranes to establish electrostatic interactions/hydrogen bonds with hydroxyl, amine and/or carbonyl groups, which are comprised in the bacteria outer membranes. Furthermore, multiple linear regression models, based on selected subsets of E-tongue sensors (1215 sensors), also allowed quantifying the bacteria contents in aqueous solutions (0.993 ± 0.011 R2 0.998 ± 0.005, for repeated K-fold-CV). In conclusion, the E-tongue could be of great value as a preliminary food quality and safety diagnosis tool.Foundation for Science and Technology (FCT, Portugal) for financial support by national funds FCT/MCTES to CIMO (UIDB/00690/2020) and to CEB (UIDB/04469/2020), as well as to the BioTecNorte operation (NORTE-01-0145-FEDER-000004) funded by the European Regional Development Fund under the scope of Norte2020—Programa Operacional Regional do Norte. Ítala M.G. Marx also acknowledges the Ph.D. research grant (SFRH/BD/137283/2018) provided by FCT.info:eu-repo/semantics/publishedVersio

Performance study of a potentiometric sensor array for lactic proteins analysis

Lactic proteins are complex biomolecules, possessing different molecular weights (from 19 kDa up to 66 kDa), which can be used as biomarkers for detecting food adulterations. This study reports for the first time the evaluation of two potentiometric sensor arrays, one electronic tongue (ET) using only cross-sensitivity chemical sensors and a hybrid-ET containing ionic-selective and cross-sensitivity chemical sensors. Although both devices could detect and distinguish soluble and insoluble lactic proteins, namely bovine serum albumin and three main casein fractions(alpha-, beta- and kappa-), the inclusion of ionic-selective sensors increased the device performance (100% of correct leave-oneout cross-validation classification for hybrid-ET against 94% for the ET) and reduced the number of sensors needed (5 for the hybrid-ET instead of 9 sensors used by the ET device). Finally, the results showed that with the hybrid-ET a second-order polynomial equation could be derived relating the measured potential of the aqueous solution and the logarithmic of the total casein concentration, with satisfactory determination coefficients (R2>0.99)

6-Amidinopurines as convenient precursors to pyrimido[5,4-d]pyrimidines for sar studies on Mycobacterium tuberculosis

Thanks are due to University of Minho and Fundação para a Ciência e Tecnologia for financial support (project nºF-COMP-01-0124-FEDER-022716 (ref. FCT PEst-/QUI/UI0686/2011) FEDER-COMPETE, FCT-Portugal and PhD grant awarded to Ana Bacelar SRFH/BD/24959/2005). The NMR spectrometer (Bruker 400 Avance III) is part of the National NMR Network supported with funds from FCT.nºF-COMP-01-0124-FEDER-02271