2,345 research outputs found

    TARGETING NUCLEAR FACTOR KAPPA B WITH CHELATED ZINC COMPOUNDS TOWARDS ANTICANCER DRUG DESIGN

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    Objective: The objective of the study was to analyse the target-ligand interactions between nuclear factor-κB (NF-κB) and chelated Zinc compounds and to explore the anticancer drug potential of these ligands by a bio computational approach. Methods: Bioinformatics databases and tools were applied for the study. Three dimensional structure of the target NF-κB was retrieved from Protein Data Bank (PDB). The optimized structures of two chelated Zinc compounds, Zinc acetate and Zinc orotate were taken for docking studies with the target using docking tool AutoDock 4.2. Drug properties of the ligands were further assessed by Molinspiration server. Results: Docking results as predicted by AutoDock and as visualized by PyMol viewer were effective for both the ligands. Comparatively, Zinc orotate showed minimum energy and more interactions with the target. Both the ligands satisfied the Lipinski’s rule of five with zero violations. Conclusion: The findings emphasized the promising role of chelated Zinc compounds as potent drug candidates in anti-cancer drug design against NF-κB

    Zinc calixarene complexes for the ring opening polymerization of cyclic esters

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    Reaction of Zn(C₆F₅)₂·toluene (two equivalents) with 1,3-dipropoxy-p-tert-butyl-calix[4]arene (L¹H₂) led to the isolation of the complex [{Zn(C₆F₅)}₂L¹] (1), whilst similar use of Zn(Me)₂ resulted in the known complex [{Zn(Me)}₂L¹] (2). Treatment of L¹H₂ with in situ prepared Zn{N(SiMe₃)₂}₂ in refluxing toluene led to the isolation of the compound [(Na)ZnN(SiMe₃)₂L¹] (3). The stepwise reaction of L¹H₂ and sodium hydride, followed by ZnCl₂ and finally NaN(SiMe₃)₂ yielded the compound [Zn{N(SiMe₃)₂}₂L¹] (4). The reaction between three equivalents of Zn(C₆F₅)₂·toluene and oxacalix[3]arene (L²H₃) at room temperature formed the compound {[Zn(C₆F₅)]₃L²} (5); heating of 5 in acetonitrile caused the ring opening of the parent oxacalix[3]arene and rearrangement to afford the complex [(L²)Zn₆(C₆F₅)(R)(RH)OH]·5MeCN R = C₆F₅CH₂-(p-ᵗBuPhenolate-CH₂OCH₂–)₂–p-ᵗBuPhenolate-CH₂O⁻)³⁻ (6). The molecular structures of the new complexes 1, 3 and 6, together with that of the known complex 2, whose solid state structure has not previously been reported, have been determined. Compounds 1, 3–5 have been screened for the ring opening polymerization (ROP) of ε-caprolactone (ε-CL) and rac-lactide. Compounds featuring a Zn–C₆F₅ fragment were found to be poor ROP pre-catalysts as they did not react with benzyl alcohol to form an alkoxide. By contrast, compound 4, which contains a zinc silylamide linkage, was the most active of the zinc-based calix[4]arene compounds screened and was capable of ROP at ambient temperature with 65% conversion over 4 h

    Переработка цинксодержащего шлама из шламонакопителя производства вискозного волокна с получением гидроксида цинка

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    Шламы, находящиеся в шламонакопителях предприятий по производству вискозного волокна, являются техногенными источниками ценного и дефицитного сырья - соединений цинка, которое используется в различных отраслях промышленного производства, сельском хозяйстве и быту. Эти шламы должны быть подвергнуты переработке, а соединения цинка извлечены из них и утилизированы. Приведены результаты экспериментов по извлечению гидроксида цинка из шлама ликвидированного производства вискозы в г. Красноярске и определено одно из направлений его утилизации.Slugs in slurry storage facilities of viscose fiber enterprises are technogenic sources of valuable and scarce raw materials - zinc compounds, which are used in various branches of industrial production, agriculture and everyday life. These slurries must be processed, and zinc compounds extracted from them and disposed of. The results of experiments on the extraction of zinc hydroxide from the slurry of liquidated viscose production in Krasnoyarsk are presented, and one of the directions of its utilization is determined

    Aggregation of metallochlorophylls - Examination by spectroscopy

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    Nuclear magnetic resonance measurements determine which metallochlorophylls, besides magnesium-containing chlorophylls, possess coordination aggregation properties. Infrared spectroscopy reveals that only zinc pheophytin and zinc methyl pheophorbide showed significant coordination aggregation, whereas divalent nickel and copper did not

    The Formazanate Ligand as an Electron Reservoir: Bis(Formazanate) Zinc Complexes Isolated in Three Redox States

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    The synthesis of bis(formazanate) zinc complexes is described. These complexes have well-behaved redox-chemistry, with the ligands functioning as a reversible electron reservoir. This allows the synthesis of bis(formazanate) zinc compounds in three redox states in which the formazanate ligands are reduced to "metallaverdazyl" radicals. The stability of these ligand-based radicals is a result of the delocalization of the unpaired electron over four nitrogen atoms in the ligand backbone. The neutral, anionic, and dianionic compounds (L2Zn0/-1/-2) were fully characterized by single-crystal X-ray crystallography, spectroscopic methods, and DFT calculations. In these complexes, the structural features of the formazanate ligands are very similar to well-known β-diketiminates, but the nitrogen-rich (NNCNN) backbone of formazanates opens the door to redox-chemistry that is otherwise not easily accessible. N is better than C: Bis(formazanate) zinc complexes (see picture; Zn yellow, N blue, O red, Na green) show sequential and reversible redox chemistry in which the formazanate ligands are reduced to metallaverdazyl radicals. These ligands are very similar to β- diketiminates, but the nitrogen-rich NNCNN backbone of formazanates opens the door to redox chemistry that is otherwise difficult to access

    The Economic and Environmental Impact of Great Lakes Manufacturing: Snapshot of Emissions, Pollution Prevention Practices, and Economic Impact Using Public Data

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    In this report, the Great Lakes Regional Pollution Prevention Roundtable (GLRPPR) has used publicly available environmental data to establish a regional baseline for industrial chemical use and emissions; pollution prevention (P2) techniques; greenhouse gas (GHG) emissions; and economic impact data for selected industry sectors in U.S. EPA Region 5. The project team searched, compiled, and analyzed selected data sets from USEPA’s Toxics Release Inventory (TRI), the GHG emissions database on Envirofacts, and the Census Bureau’s County Business Patterns database on American FactFinder.This project was funded under U.S. EPA’s Pollution Prevention Information Network grant program (agreement number NP-00E01338).Ope

    The Significance Of It All: Corporate Disclosure Obligations In Matrixx Initiatives, Inc. v. Siracusano

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    A Wiener model consists of a linear dynamic system followed by a static nonlinearity. The input and output are measured, but not the intermediate signal. We discuss the Maximum Likelihood estimate for Gaussian measurement and process noise, and the special cases when one of the noise sources is zero

    Scientific Opinion on safety and efficacy of zinc compounds (E6) as feed additive for all animal species: Zinc oxide, based on a dossier submitted by Grillo Zinkoxid GmbH/EMFEMA

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    Zinc oxide is a safe source of zinc for all animal species and no concerns for consumer safety are expected from the use of zinc oxide in animal nutrition, considering the maximum contents for total zinc in feedingstuffs set by EU legislation. Zinc oxide is not an irritant to skin and eyes; it is not a skin sensitiser. The zinc oxide under application is considered a compound with high dusting potential, which may result in a critical exposure of users by inhalation, affecting the respiratory system. The authorised use of zinc oxide as a feed additive does not pose a direct concern for the agricultural soil compartment. However, there is a potential environmental concern related to groundwater, drainage and the run-off of zinc to surface water. Acid sandy soils are most vulnerable to these processes. In order to draw a final conclusion, some further refinement to the assessment of zinc-based feed additives in livestock needs to be considered, for which additional data would be required. The use of zinc-containing additives in aquaculture up to maximum authorised zinc level in feeds is not expected to pose an appreciable risk to the environment. Zinc oxide is efficacious in meeting animal zinc requirements
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