Aplicação de reguladores de crescimento em figos produzidos fora da época normal

Fez-se a aplicação de giberelinas (50 e 100 ppm) e de clorofenoxipropionamida (250, 500 e 1000 ppm) sobre figos em vários estádios de desenvolvimento, de plantas podadas em dezembro, visando-se à produção de figos fora da época normal. Os resultados demostraram que as giberelinas a 50 ppm provocaram alongamento no comprimento dos figos. O tratamento com clorofenoxipropionamida (Fruitone CPA) a 1000 ppm resultou em frutos mais pesados, porém, estes valores não diferiram estatisticamente daqueles do tratamento controle. O peso médio dos figos foi de 50,0 gramas, para as primeiras oito semanas de colheita, período considerado no experimento.Gibberelins (50 and 100 ppm) and chlorophenoxy propionamide (250, 500 and 1000 ppm) were applied on figs growing on plants pruned in December, for an out of season production of fruits. The concentration of (1000 ppm) chlorophenoxy propionamide (Fruitone CPA) on treated figs induced on elongation of fruits, but the figs in this treatment did not differ from the control treatment in weight. The average weight of harvested figs at the end of 8 weeks (the time the experiment lasted) was 50.0 g

Responsible data science: impartiality, accuracy, confidentiality and transparency of data

Introdução: no contexto Big Data, surge, como necessidade urgente, a aplicação de direitos individuais e empresariais e de normas regulatórias que resguardem a privacidade, a imparcialidade, a precisão e a transparência. Nesse cenário, a Responsible Data Science desponta como uma iniciativa que tem como base as diretrizes FACT, que correspondem à adoção de quatro princípios: imparcialidade, precisão, confidencialidade e transparência. Objetivo: abordar alternativas que podem assegurar a aplicação das diretrizes FACT. Metodologia: foi desenvolvida investigação exploratória e descritiva com abordagem qualitativa. Foram realizadas pesquisas nas bases de dados bibliográficas Web of Science, Scopus e pelo motor de busca Scholar Google com a utilização dos termos “Responsible Data Science”, “Fairness, Accuracy, Confidentiality, Transparency + Data Science”, FACT e FAT relacionados com Data Science. Resultados: a Responsible Data Science desponta como uma iniciativa que tem como base as diretrizes FACT, que correspondem à adoção dos princípios: imparcialidade, precisão, confidencialidade e transparência. Para a implementação dessas diretrizes, deve-se considerar o uso de técnicas e abordagens que estão sendo desenvolvidas pela Green Data Science. Conclusões: concluiu-se que a Green Data Science e as diretrizes FACT contribuem significativamente para a salvaguarda dos direitos individuais, não sendo necessário recorrer a medidas que impeçam o acesso e a reutilização de dados. Os desafios para implementar as diretrizes FACT requerem estudos, condição sine qua non para que as ferramentas para análise e disseminação dos dados sejam desenvolvidas ainda na fase de concepção de metodologias.Introduction: In the Big Data context, as an urgent need arises the application of individual and corporate rights and regulatory standards that safeguard privacy, impartiality, accuracy and transparency. In this scenario, Responsible Data Science emerges as an initiative based on the FACT guidelines, which correspond to the adoption of four principles: impartiality, accuracy, confidentiality and transparency. Objective: To address alternatives that can ensure the application of the FACT guidelines. Methodology: An exploratory and descriptive research with a qualitative approach was developed. Searches were performed on the Web of Science, Scopus, and Scholar Google search engines using Responsible Data Science, Fairness, Accuracy, Confidentiality, Transparency Data Science, FACT, and FAT related to Data Science. Results: Responsible Data Science emerges as an initiative based on the FACT guidelines, which correspond to the adoption of the principles: impartiality, accuracy, confidentiality and transparency. In implementing these guidelines, consideration should be given to the use of techniques and approaches being developed by Green Data Science. Conclusions: It is concluded that Green Data Science and the FACT guidelines contribute significantly to safeguarding individual rights and that no measures need to be taken to prevent access and reuse of data. Challenges for implementing the FACT guidelines require studies, sine qua non conditions for tools for data analysis and dissemination to be developed at the design stage of methodologies.Introducción: en el contexto de Big Data, como una necesidad urgente surge la aplicación de los derechos individuales y corporativos y las normas reguladoras que salvaguardan la privacidad, imparcialidad, precisión y transparencia. En este escenario, Responsible Data Science surge como una iniciativa basada en las pautas de FACT, que corresponden a la adopción de cuatro principios: imparcialidad, precisión, confidencialidad y transparencia. Objetivo: abordar alternativas que puedan garantizar la aplicación de las pautas de FACT. Metodología: se desarrolló una investigación exploratoria y descriptiva con un enfoque cualitativo. Las búsquedas se realizaron en los motores de búsqueda de Web of Science, Scopus y Scholar Google utilizando los términos "Ciencia de datos responsable", "Justicia, precisión, confidencialidad, transparencia + ciencia de datos", FACT y FAT relacionados con ciência de los datos. Resultados: Responsible Data Science surge como una iniciativa basada en los lineamientos de FACT, que corresponden a la adopción de los principios: imparcialidad, precisión, confidencialidad y transparencia. Al implementar estas pautas, se debe considerar el uso de técnicas y enfoques desarrollados por Green Data Science. Conclusiones: Se concluye que Green Data Science y las pautas FACT contribuyen significativamente a salvaguardar los derechos individuales y que no es necesario tomar medidas para evitar el acceso y la reutilización de datos. Los desafíos para implementar las pautas FACT requieren estudios, condiciones sine qua non para desarrollar herramientas para el análisis y la difusión de datos en la etapa de diseño de las metodologias

Energies of the HOMO and LUMO Orbitals for 111725 Organic Molecules Calculated by DFT B3LYP / 6-31G*

HOMO and LUMO orbital energies for 111725 organic molecules calculated at the B3LYP/6-31G*//PM6 or B3LYP/6-31G*//PM7 level of theory.<br><br>Related publication:<br><br>* Florbela Pereira, Kaixia Xiao, Diogo A. R. S. Latino, Chengcheng Wu, Qingyou Zhang and Joao Aires-de-Sousa:<br><br>Machine Learning Methods to Predict Density Functional Theory B3LYP Energies of HOMO and LUMO Orbitals.<br><br>J. Chem. Inf. Model. (2017)<br><br>DOI: <a href="http://dx.doi.org/10.1021/acs.jcim.6b00340">10.1021/acs.jcim.6b00340</a><br> <br><br>This data set is publicly available at http://dx.doi.org/10.6084/m9.figshare.3384184.v1<br><br> <br><br>Files<br>-----<br><br>frontier_orbitals_111725mols_sdf.tar.gz - 111275 molecules in the MDL SDFile format<br><br>frontier_orbitals_111725mols.xlsx - HOMO and LUMO orbital energies for 111275 neutral organic molecules<br><br>coordinates_111725mols_xyz.zip - atomic coordinates used for the DFT calculation of the 111275 molecules<br><br>PM7_frontier_orbitals.xlsx - HOMO and LUMO energies calculated by the PM7 semi-empirical method.<br><br><br><br>Molecules<br>---------<br><br>For the database creation, molecular structural motifs were retrieved from organic electronics studies, and collections of dyes, metabolites and electrophiles/nucleophiles [1-5]. The database was populated by retrieval of similar examples from the ZINC database [6], the PubChem database [7] and by computationally combining motifs and lists of substituents with the ChemAxon Reactor software, JChem 15.4.6, 2015, ChemAxon (http://www.chemaxon.com). The structures were standardized with ChemAxon Standardizer (JChem 15.4.6, 2015, ChemAxon, http://www.chemaxon.com) and OpenBabel (Open Babel Package, version 2.3.1 http://openbabel.org) for neutralization and inclusion of all hydrogen atoms. The molecular structures include atomic elements C, H, B, N, O, F, Si, P, S, Cl, Se, and Br.<br><br>Molecular geometries were relaxed by the PM6 or PM7 methods using the MOPAC software [8] and orbital energies were calculated by the GAMESS program [9] with the B3LYP functional and the 6-31G* basis set. Structures were calculated with the geometry obtained with the PM6 or PM7 semi-empirical method.<br><br> <br>Format<br>------<br><br>Each molecule is stored in its own file, ending in ".sdf". These are the starting structures, previous to geometry relaxation with the MOPAC program. <br><br>The format is the standard MDL SDFile generated with ChemAxon Standardizer and OpenBabel.<br><br>The atomic coordinates obtained with the PM6 and PM7 methods are stored in files ending in ".xyz", one for each molecule. Each file comprises a header line specifying the number of atoms <i>n</i>, a line with the id of the structure, and <i>n</i> lines containing the element and atomic coordinates, one atom per line.<br><br>Orbital energies are stored in the frontier_orbitals_111725mols.xlsx file. Two different sheets are used for the main database and a data set used as final test set in the related publication. PM7 values are stored in the PM7_frontier_orbitals.xlsx with the same format. <br><br><br>Column Content of .xlsx files<br>------<br><br>1 Molecule ID (as appears in the corresponding .sdf file name)<br><br>2 HOMO energy in eV.<br><br>3 LUMO energy in eV.<br><br><br>References<br>----------<br><br>[1] Po R, Bianchi G, Carbonera C, Pellegrino A: All that glisters is not gold: an analysis of the synthetic complexity of efficient polymer donors for polymer solar cells. Macromolecules 2015, 48:453-461.<br><br>[2] Hachmann J, Olivares-Amaya R, Atahan-Evrenk S, Amador-Bedolla C, Sanchez-Carrera RS, Gold-Parker A, Vogt L, Brockway AM, Aspuru-Guzik A: The Harvard Clean Energy Project: large-scale computational screening and design of organic photovoltaics on the world community grid. J Phys Chem Lett 2011, 2:2241-2251.<br><br>[3] O’Boyle NM, Campbell CM, Hutchison GR: Computational design and selection of optimal organic photovoltaic materials. J Phys Chem C 2011, 115:16200-16210.<br><br>[4] Mayr H, Ofial AR: Kinetics of electrophile-nucleophile combinations: a general approach to polar organic reactivity. Pure Appl Chem 2005, 77:1807-1821.<br><br>[5] Kanehisa M, Goto S: KEGG: Kyoto Encyclopedia of Genes and Genomes. Nucleic Acids Res 2000, 28:27-30.<br><br>[6] Irwin JJ, Sterling T, Mysinger MM, Bolstad ES, Coleman RG: ZINC: a free tool to discover chemistry for biology. J Chem Inf Model 2012, 52:1757-1768.<br><br>[7] Kim S, Thiessen PA, Bolton EE, Chen J, Fu G, Gindulyte A, Han L, He J, He S, Shoemaker BA, Wang J, Yu B, Zhang J, Bryant SH: PubChem Substance and Compound databases. Nucleic Acids Res 2016, 44(D1):D1202-13. <br><br>[8] MOPAC2009 and MOPAC2012, James J. P. Stewart, Stewart Computational Chemistry, Colorado Springs, CO, USA, http://OpenMOPAC.net (2008-2012).<br><br>[9] Schmidt MW, Baldridge KK, Boatz JA, Elbert ST, Gordon MS, Jensen JJ, Koseki S, Matsunaga N, Nguyen KA, Su S, Windus TL, Dupuis M, Montgomery JA: General atomic and molecular electronic structure system. J Comput Chem 1993, 14:1347-1363. GAMESS Version 1 May 2013 (R1).<br><br

A Different Brain : Anomalies of functional and structural connections in Williams syndrome

We describe the results of a functional and structural brain connectivity analysis comparing a homogeneous group of 10 young adults with Williams Syndrome (WS; 3 females, age 20. 7 ± 3.7 years, age range 17.4-28.7 years) to a group of 18 controls of similar age (3 females, age 23.9 ± 4.4 years, age range 16.8-30.2), with the aim to increase knowledge of the structure-function relationship in WS. Subjects underwent a 3T brain MRI exam including anatomical, functional (resting state) and structural (diffusion MRI) sequences. We found convergent anomalies in structural and functional connectivity in the WS group. Altered Fractional Anisotropy (FA) values in parieto-occipital regions were associated with increased connectivity in the antero-posterior pathways linking parieto-occipital with frontal regions. The analysis of resting state data showed altered functional connectivity in the WS group in main brain networks (default mode, executive control and dorsal attention, sensori-motor, fronto-parietal, ventral stream). The combined analysis of functional and structural connectivity displayed a different pattern in the two groups: in controls the highest agreement was found in frontal and visual areas, whereas in WS patients in posterior regions (parieto-occipital and temporal areas). These preliminary findings may reflect an altered "wiring" of the brain in WS, which can be driven by hyper-connectivity of the posterior regions as opposed to disrupted connectivity in the anterior areas, supporting the hypothesis that a different brain (organization) could be associated with a different (organization of) behavior in Williams Syndrome

Angiotensin-(1-7) improves oxygenation, while reducing cellular infiltrate and fibrosis in experimental Acute Respiratory Distress Syndrome

Abstract Background The renin-angiotensin system (RAS) plays a role in the pathogenesis of ARDS, Angiotensin II (Ang-II) contributing to the pathogenesis of inflammation and fibrogenesis. Angiotensin-(1-7) (Ang-(1-7)) may antagonize the effects of Ang-II. This study was aimed at evaluating the potential for Ang-(1-7) to reduce injury, inflammation and fibrosis in an experimental model of ARDS in the acute and late phases. Methods Male Sprague Dawley rats underwent an instillation of 0.1 M hydrochloric acid (HCl, 2.5 ml/kg) into the right bronchus. In an acute ARDS study, acid-injured rats were subjected to high stretch mechanical ventilation (18 ml/kg) for 5 h and randomized to receive an intravenous infusion of either vehicle (saline), Ang-(1-7) at low dose(0.27 μg/kg/h) (ALD), or high dose (60 μg/kg/h) (AHD) starting simultaneously with injury or 2 h afterwards. Arterial blood gas analysis and bronchoalveolar lavage (BAL) were performed to assess the injury. For the late ARDS study, after HCl instillation rats were randomized to either vehicle or high dose Ang-(1-7) (300 μg/kg/day) infused by mini osmotic pumps for two weeks, and lung hydroxyproline content measured. Results In the acute ARDS study, Ang-(1-7) led to a significant improvement in oxygenation (PaO2/FiO2 : vehicle 359 ± 86; ALD 436 ± 72; AHD 44 442 ± 56; ANOVA p = 0.007) and reduced white blood cells counts (vehicle 4,519 ± 2,234; ALD 2,496 ± 621; AHD 2,744 ± 119/mm3; ANOVA p = 0.004). Only treatment with high dose Ang-(1-7) reduced inflammatory cell numbers in BAL (vehicle 127 ± 34; AHD 96 ± 34/ μl; p = 0.033). Interestingly also delayed administration of Ang-(1-7) was effective in reducing injury. In later ARDS, Ang-(1-7) decreased hydroxyproline content (649 ± 202 and 1,117 ± 297 μg/lung; p < 0.05). Conclusions Angiotensin-(1-7), decreased the severity of acute lung injury and inflammation induced by combined acid aspiration and high stretch ventilation. Furthermore, continuous infusion of Ang-(1-7) reduced lung fibrosis 2 weeks following acid aspiration injury. These results call for further research on Ang-(1-7) as possible therapy for ARDS

A novel mutation in COL4A1 gene: A possible cause of early postnatal cerebrovascular events

COL4A1 is located in humans on chromosome13q34 and it encodes the alpha 1 chain of type IV collagen, a component of basal membrane. It is expressed mainly in the brain, muscles, kidneys and eyes. Different COL4A1 mutations have been reported in many patients who present a very wide spectrum of clinical symptoms. They typically show a multisystemic phenotype. Here we report on the case of a patient carrying a novel de novo splicing mutation of COL4A1 associated with a distinctive clinical picture characterized by onset in infancy and an unusual evolution of the neuroradiological features. At three months of age, the child was diagnosed with a congenital cataract, while his brain MRI was normal. Over the following years, the patient developed focal epilepsy, mild diplegia, asymptomatic microhematuria, raised creatine kinase levels, MRI white matter abnormalities and brain calcification on CT. During the neuroradiological follow-up the extension and intensity of the brain lesions progressively decreased. The significance of a second variant in COL4A1 carried by the child and inherited from his father remains to be clarified. In conclusion, our patient shows new aspects of this collagenopathy and possibly a COL4A1 compound heterozygosity

Encephalopathies with intracranial calcification in children: clinical and genetic characterization

Abstract Background We present a group of patients affected by a paediatric onset genetic encephalopathy with cerebral calcification of unknown aetiology studied with Next Generation Sequencing (NGS) genetic analyses. Methods We collected all clinical and radiological data. DNA samples were tested by means of a customized gene panel including fifty-nine genes associated with known genetic diseases with cerebral calcification. Results We collected a series of fifty patients. All patients displayed complex and heterogeneous phenotypes mostly including developmental delay and pyramidal signs and less frequently movement disorder and epilepsy. Signs of cerebellar and peripheral nervous system involvement were occasionally present. The most frequent MRI abnormality, beside calcification, was the presence of white matter alterations; calcification was localized in basal ganglia and cerebral white matter in the majority of cases. Sixteen out of fifty patients tested positive for mutations in one of the fifty-nine genes analyzed. In fourteen cases the analyses led to a definite genetic diagnosis while results were controversial in the remaining two. Conclusions Genetic encephalopathies with cerebral calcification are usually associated to complex phenotypes. In our series, a molecular diagnosis was achieved in 32% of cases, suggesting that the molecular bases of a large number of disorders are still to be elucidated. Our results confirm that cerebral calcification is a good criterion to collect homogeneous groups of patients to be studied by exome or whole genome sequencing; only a very close collaboration between clinicians, neuroradiologists and geneticists can provide better results from these new generation molecular techniques