Theoretical and experimental insights into the complexation of 8-hydroxyquinoline-5-sulfonate with divalent ions of Group 12 metals

The complexation of 8-hydroxyquinoline-5-sulfonic acid with cadmium(II) and mercury(II) has been studied in aqueous solutions using UV/visible absorption, fluorescence and 1H NMR spectroscopy, accompanied by DFT calculations. Results are compared with the behavior of zinc(II) and show in all cases the dominant formation of a 1:2 (metal:ligand) complex. DFT calculations under PCM (water) conditions indicate a preference for hexacoordinated metal centers with two ligands and two water molecules. However, while the zinc(II) complex has a square bipyramidal geometry, with the two 8-HQS ligands and metal in the same plane and two coordinated water molecules mutually trans, with cadmium(II) and mercury(II), the isomers in which the water molecules are in the cis geometry are more stable. Changes in UV–Vis absorption, fluorescence spectra and fluorescence intensity are observed on complexation. Fluorescence quantum yields follow the order Zn/8-HQS Hg/8-HQS. We believe two competing factors may be involved: an increase in fluorescence on going from Zn(II) to Cd(II) due to increased stability, and a decrease on going increasing atomic number of the metal ion due to the heavy atom effect which increases intersystem crossing. Triplet state quantum yields were measured for the Zn(II) and Cd(II) complexes, and the value for the cadmium(II) complex is higher, in agreement with the heavy atom effect. However, the sum of fluorescence and triplet quantum yields in these cases is less than unity. It is suggested that there is a competing non-radiative route for deactivation of the excited state through ligand or solvent exchange. This provides a ready explanation of increased fluorescence yields when metal/8-HQS complexes are immobilized in solid matrices

Análise preliminar de proteínas diferencialmente expressas em juvenis de pintado (Pseudoplatystoma sp) em função da condição nutricional.

Esse trabalho visou dar continuidade aos estudos do metabolismo adaptativo de pintado (Pseudoplatystoma sp) frente às variações nutricionais da dieta.Organizado por: Sílvio Ricardo Maurano; AQUACIÊNCIA 2012

Qualidade do leite caprino antes da aplicação de Boas Práticas Agropecuárias: estudo de casos.

Objetivou-se avaliar o perfil bacteriano total do leite caprino associado ao nível de adoção de práticas higiênicas durante a ordenha, em vinte e quatro Unidades Produtoras (UP) no município de Monteiro-PB. As coletas foram realizadas diretamente do latão de leite de cada produtor, após a ordenha e durante três dias consecutivos, totalizando assim, setenta e duas amostras. As amostras de leite foramacondicionadas em frascos plásticos contendo o conservante Azidiol e enviados ao laboratório da Universidade Federal Rural de Pernambuco pertencente à Rede de Laboratórios de Controle da Qualidade do Leite (RBQL) em Recife - PE para a contagem bacteriana total (CTB). Para avaliação do manejo de ordenha, os dados primários foram coletados utilizando-se um questionário. As propriedades foram agrupadas segundo o nível de adoção de práticas higiênicas realizadas na ordenha, em bom, regular e ruim. Observou-se, que 29,2% das propriedades foram consideradas boas, 46,0% foram classificadas em regulares e 25,0%, em ruins.Verificou-se, que 20,8% das UP apresentaram médias superiores a 1500.000 UFC/mL, valor considerado alto. Apenas 25,0% das propriedades avaliadas encontram-se dentro do limite estabelecido pela legislação que é de 500.000 UFC/mL. Acredita-se que a inclusão de novas tecnologias visando à adoção de medidas corretas durante o processo da ordenha é essencial, por melhorar a qualidade e a padronização da higiene do leite. Atenção especial deverá ser dada também a água utilizada durante o procedimento de obtenção do leite. Goat Milk Quality Prior to Implementation of Good Agricultural Practices: Case Studies. Abstract: This study aimed to assess the total bacterial profile of goat milk associated with level of adoption of hygienic practices during milking, in twenty-four Production Units (PU) in the town of Miller-PB. The samples were taken directly from the tin of milk from each producer, and after milking for three consecutive days, thus totaling seventy-two samples. Milk samples were packed in plastic bottles containing the preservative and sent to the laboratory azidiol Federal Rural University of Pernambuco belongs to the Network Laboratories Quality Control of Milk (RBQL) in Recife - PE for total bacterial count (CTB). To evaluate the management of milking, the primary data were collected using a questionnaire. The properties were grouped according to level of adoption of hygienic practices during milking performed in good, fair and poor. It was observed that 29.2% of properties were considered good, 46.0% were classified as regular and 25.0% in ruins.Verificou is that 20.8% of PU had averages exceeding 1500,000 CFU / mL, which is considered high Only 25.0% of the properties are within the limit established by legislation that is 500,000 CFU / mL. It is believed that the inclusion of new technologies towards the adoption of correct measures in the process of milking is essential for improving the quality and standardization of milk hygiene. Special attention should also be given to water used during the procedure of getting the milk

Qualidade do leite caprino antes da aplicação de Boas Práticas Agropecuárias: estudo de casos.

Objetivou-se avaliar o perfil bacteriano total do leite caprino associado ao nível de adoção de práticas higiênicas durante a ordenha, em vinte e quatro Unidades Produtoras (UP) no município de Monteiro-PB. As coletas foram realizadas diretamente do latão de leite de cada produtor, após a ordenha e durante três dias consecutivos, totalizando assim, setenta e duas amostras. As amostras de leite foramacondicionadas em frascos plásticos contendo o conservante Azidiol e enviados ao laboratório da Universidade Federal Rural de Pernambuco pertencente à Rede de Laboratórios de Controle da Qualidade do Leite (RBQL) em Recife - PE para a contagem bacteriana total (CTB). Para avaliação do manejo de ordenha, os dados primários foram coletados utilizando-se um questionário. As propriedades foram agrupadas segundo o nível de adoção de práticas higiênicas realizadas na ordenha, em bom, regular e ruim. Observou-se, que 29,2% das propriedades foram consideradas boas, 46,0% foram classificadas em regulares e 25,0%, em ruins.Verificou-se, que 20,8% das UP apresentaram médias superiores a 1500.000 UFC/mL, valor considerado alto. Apenas 25,0% das propriedades avaliadas encontram-se dentro do limite estabelecido pela legislação que é de 500.000 UFC/mL. Acredita-se que a inclusão de novas tecnologias visando à adoção de medidas corretas durante o processo da ordenha é essencial, por melhorar a qualidade e a padronização da higiene do leite. Atenção especial deverá ser dada também a água utilizada durante o procedimento de obtenção do leite. Goat Milk Quality Prior to Implementation of Good Agricultural Practices: Case Studies. Abstract: This study aimed to assess the total bacterial profile of goat milk associated with level of adoption of hygienic practices during milking, in twenty-four Production Units (PU) in the town of Miller-PB. The samples were taken directly from the tin of milk from each producer, and after milking for three consecutive days, thus totaling seventy-two samples. Milk samples were packed in plastic bottles containing the preservative and sent to the laboratory azidiol Federal Rural University of Pernambuco belongs to the Network Laboratories Quality Control of Milk (RBQL) in Recife - PE for total bacterial count (CTB). To evaluate the management of milking, the primary data were collected using a questionnaire. The properties were grouped according to level of adoption of hygienic practices during milking performed in good, fair and poor. It was observed that 29.2% of properties were considered good, 46.0% were classified as regular and 25.0% in ruins.Verificou is that 20.8% of PU had averages exceeding 1500,000 CFU / mL, which is considered high Only 25.0% of the properties are within the limit established by legislation that is 500,000 CFU / mL. It is believed that the inclusion of new technologies towards the adoption of correct measures in the process of milking is essential for improving the quality and standardization of milk hygiene. Special attention should also be given to water used during the procedure of getting the milk

Modeling of Soybean under Present and Future Climates in Mozambique

Citation: Talacuece, M. A. D., Justino, F. B., Rodrigues, R. D., Flores, M. E. P., Nascimento, J. G., & Santos, E. A. (2016). Modeling of Soybean under Present and Future Climates in Mozambique. Climate, 4(2), 14. doi:10.3390/cli4020031This study aims to calibrate and validate the generic crop model (CROPGRO-Soybean) and estimate the soybean yield, considering simulations with different sowing times for the current period (1990-2013) and future climate scenario (2014-2030). The database used came from observed data, nine climate models of CORDEX (Coordinated Regional climate Downscaling Experiment)-Africa framework and MERRA (Modern Era Retrospective-Analysis for Research and Applications) reanalysis. The calibration and validation data for the model were acquired in field experiments, carried out in the 2009/2010 and 2010/2011 growing seasons in the experimental area of the International Institute of Tropical Agriculture (IITA) in Angonia, Mozambique. The yield of two soybean cultivars: Tgx 1740-2F and Tgx 1908-8F was evaluated in the experiments and modeled for two distinct CO2 concentrations. Our model simulation results indicate that the fertilization effect leads to yield gains for both cultivars, ranging from 11.4% (Tgx 1908-8F) to 15% (Tgx 1740-2Fm) when compared to the performance of those cultivars under current CO2 atmospheric concentration. Moreover, our results show that MERRA, the RegCM4 (Regional Climatic Model version 4) and CNRM-CM5 (Centre National de Recherches Meteorologiques - Climatic Model version 5) models provided more accurate estimates of yield, while others models underestimate yield as compared to observations, a fact that was demonstrated to be related to the model's capability of reproducing the precipitation and the surface radiation amount

Efecto de la temperatura sobre la transferencia de agua durante la deshidratación osmótica de papa (Solanum tuberosum L.)

El principal objetivo de este trabajo fue estudiar la cinética de deshidratación osmótica de papa (Solanum Tuberosum L.). Se comparó el ajuste de los datos experimentales con el modelo cinético fenomenológico y con el modelo de Azuara. Para ello, en cubos de 1 cm de arista se evaluó el efecto de la temperatura (30 ºC, 40 ºC y 50 ºC) sobre los coeficiente de difusión efectiva del agua y sólidos. Se determinó la pérdida de peso de agua y la ganancia de sólidos. Las mayores pérdidas de agua se obtuvieron a la temperatura de 50 ºC. Se calcularon los parámetros cinéticos ajustándose adecuadamente a los modelos matemá- ticos respectivos para la pérdida de agua y la ganancia de sólidos. Asimismo, se determinó la energía de activación mediante la ecuación de Arrhenius siendo superior la energía de activación para la difusión en la ganancia de sólidos.The main purpose for this work is to study the osmotic dehydration kinetics of potatoes (Solanum Tuberosum L.). Thus, a comparison of fitness for the experimental data related to the phenomenological kinetic model and Azuara’s model was made. When applying to 1 cm size potatoes cubes, effect of temperature (30 ºC, 40 ºC and 50ºC) on effective diffusivity coefficients for both water and solids was measured. Water weight loss and solids increase was determined. The highest water loss occurred at 50 º C. The different models kinetics parameters were calculated and a good fitness to mathematical respective relationships was obtained, both for water loss and solids increments. Furthermore, activation energy when applying Arrhenius equation was calculated, being higher for the diffusivity of solids gain.Fil: Silva Paz, Reynaldo Justino. Universidad Tecnológica Nacional. Facultad Regional Buenos Aires; Argentina. Universidad Nacional de Entre Rios; ArgentinaFil: Della Rocca, Patricia A.. Universidad Tecnológica Nacional. Facultad Regional Buenos Aires; ArgentinaFil: Tisocco, Osvaldo D.. Universidad Nacional de Entre Ríos. Facultad de Ciencias de la Alimentación; ArgentinaFil: Mascheroni, Rodolfo Horacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Centro de Investigaciones en Criotecnología de Alimentos (i); Argentina. Universidad Nacional de La Plata; Argentin

Synthesis and characterization of push-pull bithiophene and thieno[3,2-b]thiophene derivatives bearing an ethyne linker as sensitizers for dye-sensitized solar cells

Five push-pull heterocyclic dyes 4-7, and 9 were synthesized and characterized in order to study the variations in the optical, electronic and photovoltaic properties induced by structural modifications, i.e. different spacer units and anchoring groups. The final push-pull conjugated dyes 6-7 and 9 are formed by a N,N-dimethylaniline donor moiety conjugated with bithiophene, ethynyl-bithiophene or ethynyl-thieno[3,2-b]thiophene spacers and cyanoacetic acid or rhodanine-3-acetic acid as anchoring group. The synthesis of the precursor aldehydes 4-5 was accomplished through a Sonogashira coupling, on the other hand, compound 8 was prepared by Suzuki coupling. Knoevenagel condensation of aldehydes 4, 5 and 8 with cyanoacetic acid or rhodamine-3-acetic acid afforded the final push-pull dyes 6, 7 and 9. Information on conformation, electronic structure and electron distribution was obtained by DFT and TDDFTcalculations. This multidisciplinary study regarding the evaluation of the optical, redox and photovoltaic properties of the dyes reveals that compound 7, bearing an ethynyl-bithiophene spacer conjugated with a cyanoacetic acid anchoring group, has the highest conversion efficiency (3.51 %) as dye sensitizer in nanocrystalline TiO2 solar cells. Co-adsorption studies were also performed for dyes 6-7 with N719 as co-adsorbent, and this enhanced dye efficiencies by 33-45 %. The best cell performance was obtained by co-adsorbing N719 and dye 7 (75/25 vol%) with 4.66 % efficiency.Laboratory for Advanced Computing at the University of CoimbraThanks are due to: Fundaçao para a Ci ~ encia e a Tecnologia for ^ PhD grants to S. S. M. Fernandes (SFRH/BD/87786/2012), and I. Mesquita (PD/BD/105985/2014) and a postdoctoral grant to L.L.G.Justino. (SFRH/BPD/97026/2013); FEDER-COMPETE for financial support through the CQ/UM PEst-C/QUI/UI0686/2013 (FCOMP- 01-0124-FEDER-037302); European Research Council (Contract no: 321315) for funding. H. D. Burrows are grateful for funding from Centro de Química de Coimbra, which is supported by the FC through the programmes UID/QUI/UI0313/2013 and COMPETE. The NMR spectrometer Bruker Avance III 400 is part of the National NMR Network and was purchased within the framework of the National Program for Scientific Re-equipment, contract REDE/1517/ RMN/2005 with funds from POCI 2010 (FEDER) and FCT. The authors also thank the Laboratory for Advanced Computing at the University of Coimbra for providing computing resources that have contributed to the research results reported in this paper (URL http://www.lca.uc.pt). The authors would like also to acknowledge A. I. Pereira for sequential co-adsorption devices and Dr. D. Ivanou for IPCE experiments.info:eu-repo/semantics/publishedVersio

Optical and photovoltaic properties of thieno[3,2-b]thiophene-based push–pull organic dyes with different anchoring groups for dye-sensitized solar cells

The effect of anchoring groups on the optical and electrochemical properties of triphenylamine-thienothiophenes, and on the photovoltaic performance of DSSCs photosensitized with the prepared dyes, was studied using newly synthesized compounds with cyanoacetic acid or rhodanine-3-acetic acid groups. Precursor aldehydes were synthesized through Suzuki cross-coupling, whereas Knoevenagel condensation of these with 2-cyanoacetic acid or rhodanine-3-acetic acid afforded the final push–pull dyes. A comprehensive photophysical study was performed in solution and in the solid state. The femtosecond time-resolved transient absorption spectra for the synthesized dyes were obtained following photoexcitation in solution and for the dyes adsorbed to TiO2 mesoporous films. Information on conformation, electronic structure, and electron distribution was obtained by density functional theory (DFT) and time-dependent DFT calculations. Triphenylamine–thienothiophene functionalized with a cyanoacetic acid anchoring group displayed the highest conversion efficiency (3.68%) as the dye sensitizer in nanocrystalline TiO2 solar cells. Coadsorption studies were performed for this dye with the ruthenium-based N719 dye, and they showed dye power conversion efficiencies enhanced by 20–64%. The best cell performance obtained with the coadsorbed N719 and cyanoacetic dye showed an efficiency of 6.05%.The authors thank Fundacao para a Ciencia e Tecnologia (FCT) for PhD grants to S.S.M.F. (SFRH/BD/87786/2012) and M.C.R.C. (SFRH/BD/78037/2011) and postdoctoral grants to L.L.G.J. (SFRH/BPD/97026/2013) and J.P. (SFRH/BPD/108469/2015). The authors also thank FEDER-COMPETE for the financial support through the CQ/UM PEst-C/QUI/UI0686/2013 (FCOMP-01-0124-FEDER-037302). The NMR spectrometer Bruker AVANCE III 400 is part of the National NMR Network and was purchased within the framework of the National Program for Scientific Re-equipment, contract REDE/1517/RMN/2005 with funds from POCI 2010 (FEDER) and FCT. The group in Coimbra are grateful for funding from "Centro de Quimica de Coimbra," which is supported by the Fundacao para a Ciencia e a Tecnologia (FCT), Portuguese Agency for Scientific Research, through the programs UID/QUI/UI0313/2013 and COMPETE. The authors also thank the Laboratory for Advanced Computing at the University of Coimbra for providing computing resources that have contributed to the research results reported in this paper (URL http://www.lca.uc.pt). This work was performed under the project "SunStorage. harvesting and storage of solar energy,"with reference POCI-01-0145-FEDER-016387, funded by the European Regional Development Fund (ERDF), through COMPETE 2020. Operational Programme for Competitiveness and Internationalization (OPCI), and by national funds through FCT. The research leading to these results has received funding from Laserlab-Europe (grant agreement no. 284464, EC's Seventh Framework Programme). A.I.P. would like to acknowledge the European Commission through the Seventh Framework Programme, the Specific Programme "Ideas" of the European Research Council for research and technological development as part of an Advanced Grant under grant agreement no. 321315, which also partially funded this work. The authors would also like to acknowledge L. Andrade and I. Mesquita for their valuable contribution for the article.info:eu-repo/semantics/publishedVersio

Social work through the ages: The case study of Portuguese higher education

Social Work is an academic discipline that promotes social development and change, social cohesion, empowerment, and human improvement. The values of social justice, human rights, collective responsibility, and respect for diversity are essential to social work. Embedded in the social sciences and humanities but endowed with its own conceptual framework, social work connects people with social structures to respond to life's challenges and improve personal and social well-being. The present study aims to explore and understand how curriculum design, reflects the emergence and institutionalization of Social Work within the framework of the Social Sciences and Humanities and the theoretical-methodological evolution of Social Work. To this end, it was necessary to explore and understand how higher education curricular proposals problematize the social construction not only of their theory, but also of their own methodologies and practices. For that purpose, a documentary analysis was carried out covering all the curricular plans of higher education in Social Work in Portugal, between 2009 and 2015. The results point to the existence of an articulation between qualification and the global standards for the education and training of the social work profession, which has repercussions on the definition of competences and the very status of the profession. There is a clear evolution not only in terms of professional competences, but also in the fields of activity. There is a consistent movement towards higher education in Social Work, together with the development not only of the profession itself but also of the social and human sciences.info:eu-repo/semantics/acceptedVersio

Social work curricular design and the international standards for the profession: Alignment and misalignment in Portugal

One of the main features of Social Work as a field of science is that training and practice have always been articulated, as one inevitably impacts on the other. Thus, the Bologna guidelines have not implied the same deep adjustments as in other disciplines, since social work has always been closely aligned with prevailing practices. Its definition as a scientific field implies that social work is both a practice-based profession and an academic discipline. The principles of human rights, social justice, and equity are central to Social Work, and therefore to higher education. However, the curriculum design, over time and in different geographies, shapes itself according to the historical and/or social contexts in which it develops. This paper aims to compare the learning outcomes for Social Work degree programs in Portugal with the Global Standards of Education and Training, established by the International Association of Schools of Social Work (IASSW) and the International Federation of Social Workers (IFSW). In other words, this study intends to validate if, educational institutions that teach social work degrees in Portugal align their curricular design with the international standards for the profession. Adopting a qualitative approach, the learning outcomes of all social work degrees in portugal were semantically analyzed using content analysis underpinned by the grounded theory paradigm. Thus, the frequency and different classes of the learning outcomes of all degree programs were explored. With the results of the semantic analysis of the learning outcomes it was proceeded, in a second step, to compare them with the standarts established by the International Association of Schools of Social Work (IASSW) and the International Federation of Social Workers (IFSW). The results point to some misalignment between the learning outcomes of Portuguese higher education degrees in social work and the international standards and guiding principles in this scientific area. In this regard, Portuguese higher education institutions should reinforce their concern with some dimensions of social workers profile, i.e. ethical issues, problem-solving and communication skills.info:eu-repo/semantics/acceptedVersio