361 research outputs found

    Synthesis, crystal structures, Hirshfeld surface analysis and physico-chemical characterization of two new ZnII and CdII halidometallates

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    Two new organic–inorganic hybrid materials, based on 1, 3-CycloHexaneBis-(Methyl Amine), abbreviated CHBMA, namely (H2CHBMA)ZnCl4·2H2O (CP1) and (H2CHBMA)CdI4·2H2O (CP2), have been synthesized under mild conditions in acidic media and characterized by single-crystal X-ray diffraction, spectroscopic techniques (13C NMR, FTIR, RAMAN) and thermal analysis. The crystal structures of the two compounds were solved by single-crystal X-ray diffraction methods. Both compounds show a 3-dimensional supramolecular structure directed by various interactions between tetrahalidometallate anions (ZnCl42-, CdI42-), water molecule and organic cations (H2CHBMA)2+. For both compounds, the cyclohexane ring of the template cation is in a chair conformation with the methylammonium substituent in the equatorial positions and the two terminal ammonium groups in a cis conformation but with two different orientations (upward for CP1 and downward for CP2) which influences the supramolecular architecture of the two structures. Hirshfeld surface analysis and the associated two-dimensional finger print plots were used to explore and quantify the intermolecular interactions in the crystals

    Single-crystal-to-single-crystal transformation and catalytic properties of new hybrid perhalidometallates

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    Two new organic–inorganic salts of perhalidometallates with protonated organic amine cations have been synthesized and characterized by X-ray diffraction and thermal analysis. (CHBMAH2) ZnBr4·3/2H2O 1 and (CHBMAH2 )ZnCl4 4 [(CHBMAH2 )2+: 1, 3-cyclohexanebis(methylammonium)] were obtained in single-crystal form. The crystal packing in all of the obtained compounds is governed by the formation of various non-covalent intermolecular forces between tetrahalidometallate anions and organic cations, assisted by water molecules in the hydrates. Hirshfeld surface analysis denotes that the most important contributions to the crystal packing are X···H/H···X (X: Cl, Br, I) and H···H interactions. Interestingly, the compound 1, 3-cyclohexanebis(methylammonium)tetrachlorido-zincate (II) dihydrate, (CHBMAH2 )ZnCl4·2H2O 2, undergoes thermally-triggered single-crystal-to-single-crystal (SCSC) transformation upon dehydration to produce a supramolecular solid compound, 1, 3-cyclohexanebis(methylammonium) tetrachloridozincate (II), (CHBMAH2 )ZnCl4 4. The SCSC transformation causes changes in the lattice parameters and a structural rearrangement. Furthermore, the catalytic properties of (CHBMAH2 )ZnCl4·2H2O 2 and (CHBMAH2 )CdI4·2H2O 3 have been explored in the acetalization process using various uncommon alcohols, beyond methanol or ethanol, for the first time in the literature, with outstanding results, and opening the door to the formation of alternative acetals. © 2021 by the authors. Licensee MDPI, Basel, Switzerland

    Analysis of degraded land suitability and regional comparative advantages for maize development in the Gorontalo sustainable agriculture areas, Indonesia

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    Maize has attracted the attention of local governments due to its high yield potential and economic prospects, but the strategic value of this commodity has not been specific to particular locations. Therefore, this study aimed to assess degraded land suitability and determine the regional comparative advantages for maize development in the Gorontalo sustainable agriculture areas. The suitability class was assessed using Automatic Land Evaluation System software, while comparative advantages were determined using input-output and regional analysis. The input-output analysis was based on maize farming data from interviews with 80 farmers. This study also employed location quotient, specialization index, and localization index analyses based on maize, rice, and soybean production data for 2014, 2016, and 2018. The results showed that land degradation caused by soil erosion was dominated by moderate, heavy, and very heavy categories. Most of the actual land suitability for maize was classified as marginal suitable (S3) but became very suitable (S1) and moderately suitable (S2) after the limiting factors were improved. Furthermore, maize was profitable for the land suitability classes of S1, S2, and S3, and the commodity was most concentrated in Mootilango District. Based on the results, land management recommendations followed a pattern of recommendation I > II > III > not recommended

    Radiation exposure of adrenal vein sampling: a German Multicenter Study

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    Objective: Adrenal vein sampling (AVS) represents the current diagnostic standard for subtype differentiation in primary aldosteronism (PA). However, AVS has its drawbacks. It is invasive, expensive, requires an experienced interventional radiologist and comes with radiation exposure. However, exact radiation exposure of patients undergoing AVS has never been examined. Design and methods: We retrospectively analyzed radiation exposure of 656 AVS performed between 1999 and 2017 at four university hospitals. The primary outcomes were dose area product (DAP) and fluoroscopy time (FT). Consecutively the effective dose (ED) was approximately calculated. Results: Median DAP was found to be 32.5Gy*cm(2) (0.3-3181) and FT 18 min (0.3-184). The calculated ED was 6.4 mSv (0.1-636). Remarkably, values between participating centers highly varied: Median DAP ranged from 16 to 147 Gy*cm(2), FT from 16 to 27 min, and ED from 3.2 to 29 mSv. As main reason for this variation, differences regarding AVS protocols between centers could be identified, such as number of sampling locations, frames per second and the use of digital subtraction angiographies. Conclusion: This first systematic assessment of radiation exposure in AVS not only shows fairly high values for patients, but also states notable differences among the centers. Thus, we not only recommend taking into account the risk of radiation exposure, when referring patients to undergo AVS, but also to establish improved standard operating procedures to prevent unnecessary radiation exposure

    Experiences with the PEPA performance modelling tools

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    The PEPA language [1] is supported by a suite of modelling tools which assist in the solution and analysis of PEPA models. The design and development of these tools have been influenced by a variety of factors, including the wishes of other users of the tools to use the language for purposes which were not anticipated by the tool designers. In consequence, the suite of PEPA tools has adapted to attempt to serve the needs of these users while continuing to support the language designers themselves. In this paper we report on our use of the PEPA tools and give some advice gained from our experiences.

    Exploiting inflammation for therapeutic gain in pancreatic cancer

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    Pancreatic ductal adenocarcinoma (PDAC) is an aggressive malignancy associated with <5% 5-year survival, in which standard chemotherapeutics have limited benefit. The disease is associated with significant intra- and peritumoral inflammation and failure of protective immunosurveillance. Indeed, inflammatory signals are implicated in both tumour initiation and tumour progression. The major pathways regulating PDAC-associated inflammation are now being explored. Activation of leukocytes, and upregulation of cytokine and chemokine signalling pathways, both have been shown to modulate PDAC progression. Therefore, targeting inflammatory pathways may be of benefit as part of a multi-target approach to PDAC therapy. This review explores the pathways known to modulate inflammation at different stages of tumour development, drawing conclusions on their potential as therapeutic targets in PDAC
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