116 research outputs found

    Phase Transition and Electrical Properties in Cs2SeO4.Te(OH)6

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    Dielectric investigations in the temperature and frequency 300- 600 K and 0,1KHz–13MHz, respectively, show that cesium selenate tellurate Cs2SeO4.Te(OH)6 (CsSeTe) exhibits two phase transitions at 490 and 525 K. The a.c. complex impedance measurements performed on CsSeTe material show an important level of conductivity at high temperature, attributed to the motion of H+ proton. This behavior is in agreement with the presence of the super- protonic phase transition in CsSeTe compound at 525K. This assignment was confirmed by the analysis of the M"/M"max spectra. The temperature dependences of ε΄r and tanδ indicate that the anomaly at 490K is attributed to a ferroelectric-paraelectric phase transition. Thermal analysis at high temperature, DSC, DTA, TG,  Ms/z= 18 and Ms/z= 32 confirm the presence of the two transitions already cited, the temperature and the nature of the decomposition. Â

    Thermal analysis, X-ray diffraction, spectroscopy studies and magnetic properties of the new compound Tl2HAsO4.Te(OH)6

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    The Tl2HAsO4.Te(OH)6 (TlAsTe) compound crystallizes in the triclinic system P1 with unit cell parameters: a= 7.100(10) Å, b= 7.281(13) Å, c= 8.383(11) Å, α= 76.91(1)°, β= 87.16(1)°, γ= 66.96(2)°, Z= 2 and V= 388.19(1) Å3. This new structure can be described as a lamellar one with the atomic arrangement being built by planes of Te(OH)6 octahedra alterning with planes of arsenate tetrahedra. Raman and infrared spectra recorded at room temperature confirm the presence of As  and Te  groups and characterize the hydrogen bonds present in the crystal lattice. Differential scanning calorimerty shows the presence of three-phase transitions at 396 K, 408 K and 430 K present in the title compound. Typical thermal analyses, such as differential thermal analysis and thermogravimetry show that the decomposition of this material starts at about T= 445 K. Magnetization curve of Tl2HAsO4·Te(OH)6 substance have revealed a diamagnetic response overall temperature range studied

    Scalar wormholes with nonminimal derivative coupling

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    We consider static spherically symmetric wormhole configurations in a gravitational theory of a scalar field with a potential V(ϕ)V(\phi) and nonminimal derivative coupling to the curvature describing by the term (ϵgμν+κGμν)ϕ,μϕ,ν(\epsilon g_{\mu\nu} + \kappa G_{\mu\nu}) \phi^{,\mu}\phi^{,\nu} in the action. We show that the flare-out conditions providing the geometry of a wormhole throat could fulfilled both if ϵ=1\epsilon=-1 (phantom scalar) and ϵ=+1\epsilon=+1 (ordinary scalar). Supposing additionally a traversability, we construct numerical solutions describing traversable wormholes in the model with arbitrary κ\kappa, ϵ=1\epsilon=-1 and V(ϕ)=0V(\phi)=0 (no potential). The traversability assumes that the wormhole possesses two asymptotically flat regions with corresponding Schwarzschild masses. We find that asymptotical masses of a wormhole with nonminimal derivative coupling could be positive and/or negative depending on κ\kappa. In particular, both masses are positive only provided κ<κ10\kappa<\kappa_1\le0, otherwise one or both wormhole masses are negative. In conclusion, we give qualitative arguments that a wormhole configuration with positive masses could be stable.Comment: 17 pages, 8 figure

    Structural studies of a new series of ester derivatives in cyclopropanol chemistry

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    Cellular Automata Applications in Shortest Path Problem

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    Cellular Automata (CAs) are computational models that can capture the essential features of systems in which global behavior emerges from the collective effect of simple components, which interact locally. During the last decades, CAs have been extensively used for mimicking several natural processes and systems to find fine solutions in many complex hard to solve computer science and engineering problems. Among them, the shortest path problem is one of the most pronounced and highly studied problems that scientists have been trying to tackle by using a plethora of methodologies and even unconventional approaches. The proposed solutions are mainly justified by their ability to provide a correct solution in a better time complexity than the renowned Dijkstra's algorithm. Although there is a wide variety regarding the algorithmic complexity of the algorithms suggested, spanning from simplistic graph traversal algorithms to complex nature inspired and bio-mimicking algorithms, in this chapter we focus on the successful application of CAs to shortest path problem as found in various diverse disciplines like computer science, swarm robotics, computer networks, decision science and biomimicking of biological organisms' behaviour. In particular, an introduction on the first CA-based algorithm tackling the shortest path problem is provided in detail. After the short presentation of shortest path algorithms arriving from the relaxization of the CAs principles, the application of the CA-based shortest path definition on the coordinated motion of swarm robotics is also introduced. Moreover, the CA based application of shortest path finding in computer networks is presented in brief. Finally, a CA that models exactly the behavior of a biological organism, namely the Physarum's behavior, finding the minimum-length path between two points in a labyrinth is given.Comment: To appear in the book: Adamatzky, A (Ed.) Shortest path solvers. From software to wetware. Springer, 201

    Structural Insights and Docking Analysis of Adamantane-Linked 1,2,4-Triazole Derivatives as Potential 11 -HSD1 Inhibitors

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    The solid-state structural analysis and docking studies of three adamantane-linked 1,2,4- triazole derivatives are presented. Crystal structure analyses revealed that compound 2 crystallizes in the triclinic P-1 space group, while compounds 1 and 3 crystallize in the same monoclinic P21/c space group. Since the only difference between them is the para substitution on the aryl group, the electronic nature of these NO2 and halogen groups seems to have no influence over the formation of the solid. However, a probable correlation with the size of the groups is not discarded due to the similar intermolecular disposition between the NO2/Cl substituted molecules. Despite the similarities, CE-B3LYP energy model calculations show that pairwise interaction energies vary between them, and therefore the total packing energy is affected. HOMO-LUMO calculated energies show that the NO2 group influences the reactivity properties characterizing the molecule as soft and with the best disposition to accept electrons. Further, in silico studies predicted that the compounds might be able to inhibit the 11 -HSD1 enzyme, which is implicated in obesity and diabetes. Self- and cross-docking experiments revealed that a number of non-native 11 -HSD1 inhibitors were able to accurately dock within the 11 -HSD1 X-ray structure 4C7J. The molecular docking of the adamantane-linked 1,2,4-triazoles have similar predicted binding affinity scores compared to the 4C7J native ligand 4YQ. However, they were unable to form interactions with key active site residues. Based on these docking results, a series of potentially improved compounds were designed using computer aided drug design tools. The docking results of the new compounds showed similar predicted 11 -HSD1 binding affinity scores as well as interactions to a known potent 11 -HSD1 inhibitor

    TRY plant trait database - enhanced coverage and open access

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    Plant traits-the morphological, anatomical, physiological, biochemical and phenological characteristics of plants-determine how plants respond to environmental factors, affect other trophic levels, and influence ecosystem properties and their benefits and detriments to people. Plant trait data thus represent the basis for a vast area of research spanning from evolutionary biology, community and functional ecology, to biodiversity conservation, ecosystem and landscape management, restoration, biogeography and earth system modelling. Since its foundation in 2007, the TRY database of plant traits has grown continuously. It now provides unprecedented data coverage under an open access data policy and is the main plant trait database used by the research community worldwide. Increasingly, the TRY database also supports new frontiers of trait-based plant research, including the identification of data gaps and the subsequent mobilization or measurement of new data. To support this development, in this article we evaluate the extent of the trait data compiled in TRY and analyse emerging patterns of data coverage and representativeness. Best species coverage is achieved for categorical traits-almost complete coverage for 'plant growth form'. However, most traits relevant for ecology and vegetation modelling are characterized by continuous intraspecific variation and trait-environmental relationships. These traits have to be measured on individual plants in their respective environment. Despite unprecedented data coverage, we observe a humbling lack of completeness and representativeness of these continuous traits in many aspects. We, therefore, conclude that reducing data gaps and biases in the TRY database remains a key challenge and requires a coordinated approach to data mobilization and trait measurements. This can only be achieved in collaboration with other initiatives

    Perspectives on utilization of edible coatings and nano-laminate coatings for extension of postharvest storage of fruits and vegetables

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    It is known that in developing countries, a large quantity of fruit and vegetable losses results at postharvest and processing stages due to poor or scarce storage technology and mishandling during harvest. The use of new and innovative technologies for reducing postharvest losses is a requirement that has not been fully covered. The use of edible coatings (mainly based on biopolymers) as a postharvest technique for agricultural commodities has offered biodegradable alternatives in order to solve problems (e.g., microbiological growth) during produce storage. However, biopolymer-based coatings can present some disadvantages such as: poor mechanical properties (e.g., lipids) or poor water vapor barrier properties (e.g., polysaccharides), thus requiring the development of new alternatives to solve these drawbacks. Recently, nanotechnology has emerged as a promising tool in the food processing industry, providing new insights about postharvest technologies on produce storage. Nanotechnological approaches can contribute through the design of functional packing materials with lower amounts of bioactive ingredients, better gas and mechanical properties and with reduced impact on the sensorial qualities of the fruits and vegetables. This work reviews some of the main factors involved in postharvest losses and new technologies for extension of postharvest storage of fruits and vegetables, focused on perspective uses of edible coatings and nano-laminate coatings.María L. Flores-López thanks Mexican Science and Technology Council (CONACYT, Mexico) for PhD fellowship support (CONACYT Grant Number: 215499/310847). Miguel A. Cerqueira (SFRH/BPD/72753/2010) is recipient of a fellowship from the Fundação para a Ciência e Tecnologia (FCT, POPH-QREN and FSE Portugal). The authors also thank the FCT Strategic Project of UID/ BIO/04469/2013 unit, the project RECI/BBB-EBI/0179/2012 (FCOMP-01-0124-FEDER-027462) and the project ‘‘BioInd Biotechnology and Bioengineering for improved Industrial and AgroFood processes,’’ REF. NORTE-07-0124-FEDER-000028 Co-funded by the Programa Operacional Regional do Norte (ON.2 – O Novo Norte), QREN, FEDER. Fundação Cearense de Apoio ao Desenvolvimento Científico e Tecnológico – FUNCAP, CE Brazil (CI10080-00055.01.00/13)

    Global transpiration data from sap flow measurements: The SAPFLUXNET database

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    Plant transpiration links physiological responses of vegetation to water supply and demand with hydrological, energy, and carbon budgets at the land-atmosphere interface. However, despite being the main land evaporative flux at the global scale, transpiration and its response to environmental drivers are currently not well constrained by observations. Here we introduce the first global compilation of whole-plant transpiration data from sap flow measurements (SAPFLUXNET, https://sapfluxnet.creaf.cat/, last access: 8 June 2021). We harmonized and quality-controlled individual datasets supplied by contributors worldwide in a semi-automatic data workflow implemented in the R programming language. Datasets include sub-daily time series of sap flow and hydrometeorological drivers for one or more growing seasons, as well as metadata on the stand characteristics, plant attributes, and technical details of the measurements. SAPFLUXNET contains 202 globally distributed datasets with sap flow time series for 2714 plants, mostly trees, of 174 species. SAPFLUXNET has a broad bioclimatic coverage, with woodland/shrubland and temperate forest biomes especially well represented (80% of the datasets). The measurements cover a wide variety of stand structural characteristics and plant sizes. The datasets encompass the period between 1995 and 2018, with 50% of the datasets being at least 3 years long. Accompanying radiation and vapour pressure deficit data are available for most of the datasets, while on-site soil water content is available for 56% of the datasets. Many datasets contain data for species that make up 90% or more of the total stand basal area, allowing the estimation of stand transpiration in diverse ecological settings. SAPFLUXNET adds to existing plant trait datasets, ecosystem flux networks, and remote sensing products to help increase our understanding of plant water use, plant responses to drought, and ecohydrological processes. SAPFLUXNET version 0.1.5 is freely available from the Zenodo repository (10.5281/zenodo.3971689; Poyatos et al., 2020a). The "sapfluxnetr"R package-designed to access, visualize, and process SAPFLUXNET data-is available from CRAN. © 2021 Rafael Poyatos et al.This research was supported by the Minis-terio de Economía y Competitividad (grant no. CGL2014-55883-JIN), the Ministerio de Ciencia e Innovación (grant no. RTI2018-095297-J-I00), the Ministerio de Ciencia e Innovación (grant no. CAS16/00207), the Agència de Gestió d’Ajuts Universitaris i de Recerca (grant no. SGR1001), the Alexander von Humboldt-Stiftung (Humboldt Research Fellowship for Experienced Researchers (RP)), and the Institució Catalana de Recerca i Estudis Avançats (Academia Award (JMV)). Víctor Flo was supported by the doctoral fellowship FPU15/03939 (MECD, Spain)
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