162 research outputs found

    Isolation, spectroscopic characterization, X-ray, theoretical studies as well as in vitro cytotoxicity of Samarcandin

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    Samarcandin 1, a natural sesquiterpene-coumarin, was isolated as well as elucidated from F. assa-foetida which has significant effect in Iranian traditional medicine because of its medicinal attitudes. The crystal structure of samarcandin was determined by single-crystal X-ray structure analysis. It is orthorhombic, with unit cell parameters a = 10.8204 (5) Å, b = 12.9894 (7) Å, c = 15.2467 (9) Å, V = 2142.9 (2) Å3, space group P212121 and four symmetry equivalent molecules in the unit cell. Samarcandin was isolated in order to study for its theoretical studies as well as its cellular toxicity as anti-cancer drug against two cancerous cells. In comparison with controls, our microscopic and MTT assay data showed that samarcandin suppresses cancer cell proliferation in a dose-dependent manner with IC50 = 11 ÎŒM and 13 for AGS and WEHI-164 cell lines, respectively. Density functional theory (DFT) and time-dependent density functional theory (TD-DFT) of the structure was computed by three functional methods and 6-311++G∗∗ standard basis set. The optimized molecular geometry and theoretical analysis agree closely to that obtained from the single crystal X-ray crystallography. To sum up, the good correlations between experimental and theoretical studies by UV, NMR, and IR spectra were found. © 2016 Elsevier Inc. All rights reserved

    Meta -Bridged calix[4]arenes with the methylene moiety possessing in/out stereochemistry of substituents

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    meta-Substituted organomercury calix[4]arenes and their corresponding iodo derivatives have been used for lithiation followed by a reaction with various aldehydes or ketones. The resulting diastereomers were in some cases separable using simple column chromatography. Subsequent intramolecular Friedel-Crafts alkylation led to calix[4]arenes with an additional methylene bridge bearing two different substituents with in/out (relative to the cavity) stereochemistry. Our results indicate that the stereochemistry of the final cyclised product does not depend on the structure/stereochemistry of the starting compound, but rather it is influenced by the stability of the products. The relationship between the positions of these substituents and the complexation properties was demonstrated by 1H NMR titration experiments with N-methylpyridinium iodide

    Measurement of ultrashort bi-photon correlation times with an integrated two-colour broadband SU(1,1)-interferometer

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    The bi-photon correlation time, a measure for the conditional uncertainty in the temporal arrival of two photons from a photon pair source, is a key performance identifier for many quantum spectroscopy applications, with shorter correlation times typically yielding better performance. Furthermore, it provides fundamental insight into the effects of dispersion on the bi-photon state. Here, we retrieve ultrashort bi-photon correlation times of around 100 fs100\,\mathrm{fs} by measuring simultaneously spectral and temporal interferograms at the output of an SU(1,1) interferometer based on an integrated broadband parametric down-conversion source in a Ti:LiNbO3\mathrm{Ti:LiNbO}_3 waveguideComment: 8 pages, 5 figure

    Exploring the psychological rewards of a familiar semirural landscape: connecting to local nature through a mindful approach

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    This study analyses a 53,000 word diary of a year engaging with nature through over 200 trips to a semi-rural landscape. Thematic analysis revealed two themes; the transition from observer to nature connectedness and the ways in which the natural environment was experienced once a connection was made. These themes are discussed in relation to theories that seek to explain the positive effect of nature and nature connectedness. The findings are important as they suggest that repeated engagement with local semi-rural countryside can lead to a mindful approach and psychological rewards that do not require travel into the wilderness. The work informs further research into outcomes and processes of nature based interventions such as: trip frequency, duration and diary keeping

    PLM in SME, what are we missing? an alternative view on PLM implementation for SME

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    Part 10: PLM Maturity, Implementation and AdoptionInternational audienceToday, the concept of Product Lifecycle Management (PLM) is widely accepted as strategically important. It is used to manage the increasing complexity of products, processes and organizations. The need to adopt PLM is growing rapidly for Small to Medium-sized Enterprises (SME). PLM implementations are costly and require a lot of effort. The business impact and financial risks are high for SME. Also, SMEs seem to have relatively more difficulties to benefit from PLM. The study at hand addresses the question, based on literature research, why these difficulties exist and how they can be overcome. To answer that question, three sub questions are discussed in this paper. (1) A generic PLM implementation process structure. (2) A list of identified PLM implementation challenges, specific for SME. (3) A classification of PLM research for SME, related to the common PLM implementation process structure. A hypothesis for a PLM implementation failure mechanism in SMEs is formulated, based on the findings. Also, a potential research gap on operational implementation knowledge in SMEs is identified

    11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015.

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    Micromechanical Properties of Injection-Molded Starch–Wood Particle Composites

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    The micromechanical properties of injection molded starch–wood particle composites were investigated as a function of particle content and humidity conditions. The composite materials were characterized by scanning electron microscopy and X-ray diffraction methods. The microhardness of the composites was shown to increase notably with the concentration of the wood particles. In addition,creep behavior under the indenter and temperature dependence were evaluated in terms of the independent contribution of the starch matrix and the wood microparticles to the hardness value. The influence of drying time on the density and weight uptake of the injection-molded composites was highlighted. The results revealed the role of the mechanism of water evaporation, showing that the dependence of water uptake and temperature was greater for the starch–wood composites than for the pure starch sample. Experiments performed during the drying process at 70°C indicated that the wood in the starch composites did not prevent water loss from the samples.Peer reviewe

    In vitro PHYTOTHERAPY OF VECTOR SNAILS BY BINARY COMBINATIONS OF LARVICIDAL ACTIVE COMPONENTS IN EFFECTIVE CONTROL OF FASCIOLIASIS

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    SUMMARY A food-borne trematode infection fascioliasis is one among common public health problems worldwide. It caused a great economic loss for the human race. Control of snail population below a certain threshold level is one of the important methods in the campaign to reduce the incidence of fascioliasis. The life cycle of the parasite can be interrupted by killing the snail or Fasciola larva redia and cercaria inside of the snail Lymnaea acuminata. In vitro toxicity of different binary combinations (1:1 ratio) of plant-derived larvicidal active components such as citral, ferulic acid, umbelliferone, azadirachtin and allicin against Fasciola redia and cercaria were tested. The mortality of larvae was observed at 2h, 4h, 6h and 8h of treatment. In in vitro condition azadirachtin + allicin (1:1 ratio) was highly toxic against redia and cercaria (8h LC50 0.006 and 0.005 mg/L). Toxicity of citral + ferulic acid was lowest against redia and cercaria larvae
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