Peer assessment and knowledge discovering in a community of learners

Thanks to the exponential growth of the Internet, Distance Education is becoming more and more strategic in many fields of daily life. Its main advantage is that students can learn through appropriate web platforms that allow them to take advantage of multimedia and interactive teaching materials, without constraints neither of time nor of space. Today, in fact, the Internet offers many platforms suitable for this purpose, such as Moodle, ATutor and others. Coursera is another example of a platform that offers different courses to thousands of enrolled students. This approach to learning is, however, posing new problems such as that of the assessment of the learning status of the learner in the case where there were thousands of students following a course, as is in Massive On-line Courses (MOOC). The Peer Assessment can therefore be a solution to this problem: evaluation takes place between peers, creating a dynamic in the community of learners that evolves autonomously. In this article, we present a first step towards this direction through a peer assessment mechanism led by the teacher who intervenes by evaluating a very small part of the students. Through a mechanism based on machine learning, and in particular on a modified form of K-NN, given the teacher’s grades, the system should converge towards an evaluation that is as similar as possible to the one that the teacher would have given. An experiment is presented with encouraging results

Espectroscopía Raman Intensificada por Superficie (SERS) en la identificación de microorganismos que producen biodeterioro: patrimonio edificado con arquitectura en tierra, Vale Histórico Paulista (São Paulo, Brasil)

El objetivo de este trabajo es presentar resultados obtenidos mediante análisis por espectroscopía Raman intensificada por superficie (SERS) como herramienta novedosa para la identificación taxonómica de hongos a partir de biofilms formados en paredes de arquitectura en tierra (“pau-a-pique”, “taipa de pilão”, y adobe), en edificaciones históricas del Vale Histórico de São Paulo, representativas del período colonial brasileño, Con el objetivo de abrir la posibilidad de clasificación de hongos mediante SERS, se seleccionaron colonias puras que fueron previamente aislados de las paredes de tierra e identificados por taxonomía clásica y biología molecular. Los géneros estudiados fueron: Trichoderma, Cladosporium, Aspergillus, Neurospora, Fusarium y Penicillium. Las colonias fueron cultivadas en PDA sólido. Se realizaron extractos en acetato de etilo que fueron mezclados con nanopartículas de oro en suspensión coloidal. Se observaron bandas características de grupos funcionales en la región entre 600 y 1800 cm-1 que presentaron diferencias para cada género. Análisis estadísticos de PCA y HCA mostraron relaciones que permitieron hacer asociaciones por género. Este trabajo es el primer reporte de comunidades microbianas a partir de paredes hechas con técnicas de arquitectura en tierra con el uso de Espectroscopía SERS

Infrared nanospectroscopy of individual extracellular microvesicles

Extracellular vesicles are membrane-delimited structures, involved in several inter-cellular communication processes, both physiological and pathological, since they deliver complex biological cargo. Extracellular vesicles have been identified as possible biomarkers of several pathological diseases; thus, their characterization is fundamental in order to gain a deep understanding of their function and of the related processes. Traditional approaches for the characterization of the molecular content of the vesicles require a large quantity of sample, thereby providing an average molecular profile, while their heterogeneity is typically probed by non-optical microscopies that, however, lack the chemical sensitivity to provide information of the molecular cargo. Here, we perform a study of individual microvesicles, a subclass of extracellular vesicles generated by the outward budding of the plasma membrane, released by two cultures of glial cells under different stimuli, by applying a state-of-the-art infrared nanospectroscopy technique based on the coupling of an atomic force microscope and a pulsed laser, which combines the label-free chemical sensitivity of infrared spectroscopy with the nanometric resolution of atomic force microscopy. By correlating topographic, mechanical and spectroscopic information of individual microvesicles, we identified two main populations in both families of vesicles released by the two cell cultures. Subtle differences in terms of nucleic acid content among the two families of vesicles have been found by performing a fitting procedure of the main nucleic acid vibrational peaks in the 1000–1250 cm-1 frequency range

Correlation between SERS of Pyridine and Electrochemical Response of Silver Electrodes in Halide-Free Alkaline Solutions

Surface-enhanced Raman scattering (SERS) of pyridine (Py) on Ag electrodes in alkaline solutions free of halide ions was obtained at 25°C as a function of the applied potential. The Ag surface was activated for SERS through repetitive oxidation-reduction cycles (ORC), the effect being dependent on the electrochemical electrode history. The SERS effect was correlated to the activation for the hydrogen evolution reaction (HER), which can be obtained by means of potentiodynamic as well as potentiostatic procedures. The maximum SERS activity was achieved at potentials near the potential of zero charge (pzc) of polycrystalline Ag and appeared to be related to the maximum observed in the roughness factor vs potential curve. These results can be interpreted through the formation of a new uniform globular overlayer structure on the electroreduced Ag surface, which apparently exhibits a certain degree of preferred crystallographic orientation. Three well-defined potential regions can be distinguished for the complex competitive interactions between H2O, OH- ion, and Py with the new Ag electrode surface.Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicada

Converting simulated total dry matter to fresh marketable yield for field vegetables at a range of nitrogen supply levels

Simultaneous analysis of economic and environmental performance of horticultural crop production requires qualified assumptions on the effect of management options, and particularly of nitrogen (N) fertilisation, on the net returns of the farm. Dynamic soil-plant-environment simulation models for agro-ecosystems are frequently applied to predict crop yield, generally as dry matter per area, and the environmental impact of production. Economic analysis requires conversion of yields to fresh marketable weight, which is not easy to calculate for vegetables, since different species have different properties and special market requirements. Furthermore, the marketable part of many vegetables is dependent on N availability during growth, which may lead to complete crop failure under sub-optimal N supply in tightly calculated N fertiliser regimes or low-input systems. In this paper we present two methods for converting simulated total dry matter to marketable fresh matter yield for various vegetables and European growth conditions, taking into consideration the effect of N supply: (i) a regression based function for vegetables sold as bulk or bunching ware and (ii) a population approach for piecewise sold row crops. For both methods, to be used in the context of a dynamic simulation model, parameter values were compiled from a literature survey. Implemented in such a model, both algorithms were tested against experimental field data, yielding an Index of Agreement of 0.80 for the regression strategy and 0.90 for the population strategy. Furthermore, the population strategy was capable of reflecting rather well the effect of crop spacing on yield and the effect of N supply on product grading

A hybrid material assembled by anthocyanins from acai fruit intercalated between niobium lamellar oxide

Organic-inorganic hybrid materials can be prepared dispersing organic species into well-defined inorganic nanoblocks. This paper describes the immobilization of natural dyes from the extract of the Brazilian acai-fruit into two types of layered hexaniobate precursors derived from H(2)K(2)Nb(6)O(17): (i) colloidal dispersion of niobate exfoliated nanoparticles and (ii) niobate pre-intercalated with tetraethylammonium cations (TEA(+)). the restacking of exfoliated particles in the presence of acai anthocyanins promotes their intercalation and produces stacked layers showing large basal spacing (ca. 50 angstrom). the TEA(+) pre-intercalated niobate provides particles with lower content of dye species than the exfoliated precursor but with higher degree of organization and regularity according to X-ray diffraction data and images obtained by electron microscopies. Vibrational (FTIR and Raman) and (13)C NMR spectroscopies indicate the presence of flavylium cations in the hybrid materials and spectral profiles characteristic of glycosylated anthocyanidins. According to thermal analysis results, the purplish hybrids materials are more stable than the free acai-dyes. One hybrid sample was heated under air up to 170 degrees C and maintained at this temperature for 240 min. No weight loss events were observed and the sample retained its original color, indicating that the intercalation of anthocyanin into hexaniobate increases its thermal stability. Considering the structural, chemical, optical and thermal properties of the synthesized hybrid materials, they might be good candidates to be investigated for future specialized applications.Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)Instituto do Milenio de Materiais ComplexosUniv São Paulo, Inst Quim, BR-05508000 São Paulo, BrazilUniversidade Federal de São Paulo, Dept Ciencias Exatas & Terra, BR-09972270 Diadema, SP, BrazilUniv Clermont Ferrand, Lab Mat Inorgan, CNRS, UMR 6002, F-63177 Clermont Ferrand, FranceUniversidade Federal de São Paulo, Dept Ciencias Exatas & Terra, BR-09972270 Diadema, SP, BrazilCAPES: 557/07FAPESP: 06/516510Web of Scienc

Theoretical studies of Mefenamic Acid Polymorphs: Solid-state 13C carbon-NMR and vibrational (IR and Raman) Spectroscopies.

The two polymorphs of mefenamic acid (MEF) or 2-[(2,3-(dimethyphenyl)amino] benzoic acid polymorphs (known as I and II forms) were studies in the framkework of density functional theory (DFT). The DFT calculations were performed using the Gaussian03 package and these results were compared with experimental data of solid-state 13C Nuclear Magnetic Resonance (NMR), vibrational Raman and infrared spectroscopies.CAPESCNPqFAPES

Let’s not forget tautomers

A compound exhibits tautomerism if it can be represented by two structures that are related by an intramolecular movement of hydrogen from one atom to another. The different tautomers of a molecule usually have different molecular fingerprints, hydrophobicities and pKa’s as well as different 3D shape and electrostatic properties; additionally, proteins frequently preferentially bind a tautomer that is present in low abundance in water. As a result, the proper treatment of molecules that can tautomerize, ~25% of a database, is a challenge for every aspect of computer-aided molecular design. Library design that focuses on molecular similarity or diversity might inadvertently include similar molecules that happen to be encoded as different tautomers. Physical property measurements might not establish the properties of individual tautomers with the result that algorithms based on these measurements may be less accurate for molecules that can tautomerize—this problem influences the accuracy of filtering for library design and also traditional QSAR. Any 2D or 3D QSAR analysis must involve the decision of if or how to adjust the observed Ki or IC50 for the tautomerization equilibria. QSARs and recursive partitioning methods also involve the decision as to which tautomer(s) to use to calculate the molecular descriptors. Docking virtual screening must involve the decision as to which tautomers to include in the docking and how to account for tautomerization in the scoring. All of these decisions are more difficult because there is no extensive database of measured tautomeric ratios in both water and non-aqueous solvents and there is no consensus as to the best computational method to calculate tautomeric ratios in different environments