Search results for "Halogen"
showing 10 items of 434 documents
Sequence similarity of mammalian epoxide hydrolases to the bacterial haloalkane dehalogenase and other related proteins Implication for the potential…
1994
Direct comparison of the amino acid sequences of microsomal and soluble epoxide hydrolase superficially indicates that these enzymes are unrelated. Both proteins, however, share significant sequence similarity to a bacterial haloalkane dehalogenase that has earlier been shown to belong to the alpha/beta hydrolase fold family of enzymes. The catalytic mechanism for the dehalogenase has been elucidated in detail [Verschueren et al. (1993) Nature 363, 693-698] and proceeds via an ester intermediate where the substrate is covalently bound to the enzyme. From these observations we conclude (i) that microsomal and soluble epoxide hydrolase are distantly related enzymes that have evolved from a co…
Cysteine-Specific Radioiodination of Proteins with Fluorescein Maleimide
1997
A protocol is described for coupling of carrier-free iodine to protein sulfhydryl groups via fluorescein maleimide. 125I is first coupled to fluorescein maleimide in the presence of chloramine T. Iodination is stopped with sodium thiosulfate, and the iodine-substituted fluorescein maleimide is reacted with free cysteines of the protein. Excess label is then removed by gel-permeation chromatography. The procedure avoids exposition of the protein to oxidative conditions and does not require purification of the labeled carrier reagent. Suitability of the method for a given protein can be evaluated spectrophotometrically without employing radioactivity. It can be applied under denaturing condit…
Metal-bound Nitrate Anion as an Acceptor for Halogen Bonds in mono-Halopyridine-Copper(II) nitrate Complexes
2019
Fifteen n-halopyridine-Cu(NO3)2 complexes (n = 2, 3, 4) obtained from two different solvents, acetonitrile and ethanol, are investigated for C–X···O–N halogen bonds (XBs) in the solid state by single and powder X-ray diffraction. The nitrate anions bind copper(II) via anisobidentate modes and one of three oxygens act as an XB acceptor to halogens on the core pyridine rings. The N-metal coordination activates the electron-deficient π-system and triggers even C2- and C4-chlorines in the corresponding [Cu(2-chloropyridine)2(NO3)2] and [Cu(4-chloropyridine)2(NO3)2(ACN)] complexes to form short C–Cl2/Cl4···O–N halogen bonds. Notably, the C2–Cl2···O–N XBs with a normalized XB distance parameter (…
[N⋅⋅⋅I+⋅⋅⋅N] Halogen-Bonded Dimeric Capsules from Tetrakis(3-pyridyl)ethylene Cavitands
2016
Two [N⋅⋅⋅I+⋅⋅⋅N] halogen-bonded dimeric capsules using tetrakis(3-pyridyl)ethylene cavitands with different lower rim alkyl chains are synthesized and analyzed in solution and the gas phase. These first examples of symmetrical dimeric capsules making use of the iodonium ion (I+) as the main connecting module are characterized by 1H NMR spectroscopy, diffusion ordered NMR spectroscopy (DOSY), electrospray ionization mass spectrometry (ESI-MS), and ion mobility-mass spectrometry (TW-IMS) experiments. The synthesis and effective halogen-bonded dimerization proceeds through analogous dimeric capsules with [N⋅⋅⋅Ag+⋅⋅⋅N] binding motifs as the intermediates as evidenced by the X-ray structures of …
Volcanic plume monitoring at mount Etna by diffusive(passive)sampling
2004
This paper reports the use of diffusive tubes in determining HF, HCI, and SO2 in the volcanic plume of Mount Etna in an attempt to highlight the potential of this method in studying volcanoes. In a first application a network of 18 diffusive tubes was installed on Etna's flanks, aimed at evaluating the atmospheric dispersion of the volcanic plume on a local scale. Results showed a monotonic decrease in volatile air concentrations with distance from the craters (HF from 0.15 to <0.003 μmol m-3 , HCl from 2 to <0.01 μmol m -3, and SO2 from 11 to 0.04 μmol m -3 ), revealing the prevalently volcanic contribution. Matching of SO2/HCl and HCl/HF volatile ratios with contemporaneous measurements a…
First principles investigations of Pd-on-Au nanostructures for trichloroethene catalytic removal from groundwater
2010
Catalytic groundwater remediation from chlorinated organic solvents like trichloroethene (TCE) has been found to be more effective and sustainable than traditional non-destructive methods. Among the experimentally studied catalyst materials, Pd-decorated Au nanoparticles show the highest activity and selectivity combined with the best resistance towards poisoning by chemicals present in groundwater. In this study the thermochemistry and adsorption geometries of TCE and its hydrodechlorination products are investigated via density functional theory calculations. Various model systems for Pd-supported Au nanoparticles are addressed. The adsorption of TCE is endothermic on bare Au(111), almost…
Mechanisms of covalent dimerization on a bulk insulating surface
2017
Combining density functional theory and high resolution NC-AFM experiments, we have studied the on surface reaction mechanisms' responsible for the covalent dimerization of 4-iodobenzoic acid (IBA) organic molecules on the calcite (10.4), insulating surface. When annealed at 580 K, the Molecules assemble in one-dimensional chains of covalently bound dimers: The chains have a unique orientation and result from a complex set of processes, including a nominally rather. costly double dehalogenation reaction followed by dimerization. First, focusing on the latter two processes and using the nudged elastic band method, we analyze a number of possible mechanisms involving one and two molecules, an…
Halogen (Cl, F) release during explosive, effusive, and intrusive phases of the 2011 rhyolitic eruption at Cordón Caulle volcano (Chile)
2019
We investigate sulphur, chlorine and fluorine release during explosive, effusive and intrusive phases of the 2011 Cordon Caulle eruption, with a focus on halogen devolatilization. Petrological analysis shows halogen release to have been promoted by isobaric crystallization in slowly-cooled magma that was emplaced in a lava flow and sub-vent intrusion. Fluorine in particular mobilized only after extensive groundmass crystallization and incipient devitrification. By 2017, the gas emitted from vent-proximal fumaroles had hydrothermal compositions, with HCl/HF ratios decreasing with decreasing temperature. We estimate that the eruption could eventually emit up to 0.84 Mt of SO2, 6.3 Mt of HCl, …
Evaluation of interlaminar delaminations in titanium-graphite fibre metal laminates by infrared NDT techniques
2018
Abstract Fibre Metal Laminates (FMLs) describe a number of aerospace-grade layered structural materials where thin metal alloy foils are interleaved with Fibre Reinforced Polymer (FRP) plies. Such material hybridisation at the layer meso-scale poses a challenge for non-destructive testing (NDT). On the other hand, the need for NDT inspection of FMLs arises due to the potential development of interlayers disbonds, both during fabrication or in-service. This work describes the successful implementation of two Infrared-NDT approaches to evaluate a defected FML panel made of Titanium/Graphite (Ti-Gr). One technique is based on the modulation of the deployed heat from a low-cost halogen lamp, to…
Site-specific near-infrared fluorescent labelling of proteins on cysteine residues with meso -chloro-substituted heptamethine cyanine dyes
2018
International audience; Near-infrared (NIR) fluorescence imaging is a promising new medical imaging modality. Associated with a targeting molecule, NIR fluorophores can accumulate selectively in tissues of interest and become valuable tools for the diagnosis and therapy of various pathologies. To facilitate the design of targeted NIR imaging agents, it is important to identify simple and affordable fluorescent probes, allowing rapid labelling of biovectors such as proteins, ideally in a site-specific manner. Here, we demonstrate that heptamethine cyanine based fluorophores, such as IR-783, that contain a chloro-cyclohexyl moiety within their polymethine chain can react selectively, at neutr…