DFT study on the adsorption of diethyl, ethyl methyl, and dimethyl ethers on the surface of gallium doped graphene

International Nuclear Information System (INIS)

Shokuhi Rad, Ali; Sani, Emad; Binaeian, Ehsan; Peyravi, Majid; Jahanshahi, Mohsen

2017-01-01

Highlights: • Adsorption of three ether molecules on the surface of Ga-doped graphene has been investigated. • High degree of adsorption for all analytes is found. • Ga-doped graphene shows p-type semiconductor property upon adsorption of ether molecules. - Abstract: In this study, we used density functional theory (DFT) to search on the adsorption properties of three important compounds of ether family; diethyl ether (DEE), ethyl methyl ether (EME), and dimethyl ether (DME) on the surface of Gallium doped graphene (GaG). We used three functionals (B3LYP, wb97xd, and MPW1PW91) for optimization and calculation of adsorption energy. After fully optimization, we scrutinized on the charge allocations on the adsorbed ethers as well as GaG (at the area of interaction) based on natural bond orbitals (NBO). Besides, we have calculated the amount of charge transfer upon adsorption of each analyte. We revel that GaG is an ideal adsorbent for chemisorption of all above-mentioned ethers. There is a little difference between the values of adsorption; −123.5, −120, and −118.3 kJ/mol (based on wb97xd) for DEE, EME, and DME, respectively. We found significant changes in the electronic structure of both adsorbent and adsorbate upon adsorption. Moreover, results of charge analyses confirm GaG is a p-type semiconductor.

Titanium-based zeolitic imidazolate framework for chemical fixation of carbon dioxide

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U.S. Environmental Protection Agency — A titanium-based zeolitic imidazolate framework (Ti-ZIF) with high surface area and porous morphology has been synthesized and its application as a recyclable...

Ethers on Si(001): A prime example for the common ground between surface science and molecular organic chemistry

KAUST Repository

Pecher, Lisa

2017-09-15

Using computational chemistry, we show that the adsorption of ether molecules on Si(001) under ultra-high vacuum conditions can be understood with textbook organic chemistry. The two-step reaction mechanism of (1) dative bond formation between the ether oxygen and a Lewis acidic surface atom and (2) a nucleophilic attack of a nearby Lewis basic surface atom is analysed in detail and found to mirror the acid-catalysed ether cleavage in solution. The O-Si dative bond is found to be the strongest of its kind and reactivity from this state defies the Bell-Evans-Polanyi principle. Electron rearrangement during the C-O bond cleavage is visualized using a newly developed bonding analysis method, which shows that the mechanism of nucleophilic substitutions on semiconductor surfaces is identical to molecular chemistry SN2 reactions. Our findings thus illustrate how the fields of surface science and molecular chemistry can mutually benefit and unexpected insight can be gained.

Ethers on Si(001): A prime example for the common ground between surface science and molecular organic chemistry

KAUST Repository

Pecher, Lisa; Laref, Slimane; Raupach, Marc; Tonner, Ralf Ewald

2017-01-01

Using computational chemistry, we show that the adsorption of ether molecules on Si(001) under ultra-high vacuum conditions can be understood with textbook organic chemistry. The two-step reaction mechanism of (1) dative bond formation between the ether oxygen and a Lewis acidic surface atom and (2) a nucleophilic attack of a nearby Lewis basic surface atom is analysed in detail and found to mirror the acid-catalysed ether cleavage in solution. The O-Si dative bond is found to be the strongest of its kind and reactivity from this state defies the Bell-Evans-Polanyi principle. Electron rearrangement during the C-O bond cleavage is visualized using a newly developed bonding analysis method, which shows that the mechanism of nucleophilic substitutions on semiconductor surfaces is identical to molecular chemistry SN2 reactions. Our findings thus illustrate how the fields of surface science and molecular chemistry can mutually benefit and unexpected insight can be gained.

Titanium-based zeolitic imidazolate framework for chemical fixation of carbon dioxide

Science.gov (United States)

A titanium-based zeolitic imidazolate framework (Ti-ZIF) with high surface area and porous morphology was synthesized and itsefficacy was demonstrated in the synthesis of cyclic carbonates from epoxides and carbon dioxide.

The failure of poly (ether ether ketone) in high speed contacts

Science.gov (United States)

Briscoe, B. J.; Stuart, B. H.; Sebastian, S.; Tweedale, P. J.

1993-04-01

The paper describes an experimental study, with an associated analysis incorporating supplementary data, of the anti-boundary lubricating action of an alkane-aliphatic carboxylic acid lubricant system in a poly (ether ether ketone)-mild steel contact. The experiments involve progressively increasing the load in a contact formed between a polymer plate and a rotating steel shaft and estimating the frictional work dissipated. Scuffing is identified when a rapid increase in frictional work is noted at a characteristic normal load. It is shown that the additive induces premature scuffing. Subsidiary data is provided using Raman spectroscopy and hardness probes, and confirms that certain additives such as decanoic acid and dodecylamine will induce surface plasticization in poly (ether ether ketone). The trends in the frictional data have been interpreted using the adhesive model of friction in conjunction with temperature-dependent interfacial theology and bulk mechanical property data. It is proposed that the scuffing process is induced prematurely as a consequence of excessive additive-induced subsurface plasticization. Restricted surface plasticization in this system provides an enhanced self-lubricating capacity.

Effect of surface finishing on friction and wear of Poly-Ether-Ether-Ketone (PEEK under oil lubrication

Directory of Open Access Journals (Sweden)

Thiago Fontoura de Andrade

Full Text Available Abstract The tribological properties of poly-ether-ether-ketone (PEEK containing 30% of carbon fiber were studied in an oil-lubricated environment and different surface finishing of the metallic counterbody. Four different finishing processes, commonly used in the automotive industry, were chosen for this study: turning, grinding, honing and polishing. The test system used was tri-pin on disc with pins made of PEEK and counterbody made of steel; they were fully immersed in ATF Dexron VI oil. Some test parameters were held constant, such as the apparent pressure of 2 MPa, linear velocity of 2 m/s, oil temperature at 85 °C, and the time - 120 minutes. The lubrication regime for the apparent pressure of 1 MPa to 7 MPa range was also studied at different sliding speeds. A direct correlation was found between the wear rate, friction coefficient and the lubrication regime, wherein wear under hydrodynamic lubrication was, on average, approximately 5 times lower, and the friction coefficient 3 times lower than under boundary lubrication.

Ethers on Si(001): A Prime Example for the Common Ground between Surface Science and Molecular Organic Chemistry.

Science.gov (United States)

Pecher, Lisa; Laref, Slimane; Raupach, Marc; Tonner, Ralf

2017-11-20

By using computational chemistry it has been shown that the adsorption of ether molecules on Si(001) under ultrahigh vacuum conditions can be understood with classical concepts of organic chemistry. Detailed analysis of the two-step reaction mechanism-1) formation of a dative bond between the ether oxygen atom and a Lewis acidic surface atom and 2) nucleophilic attack of a nearby Lewis basic surface atom-shows that it mirrors acid-catalyzed ether cleavage in solution. The O-Si dative bond is the strongest of its kind, and the reactivity in step 2 defies the Bell-Evans-Polanyi principle. Electron rearrangement during C-O bond cleavage has been visualized with a newly developed method for analyzing bonding, which shows that the mechanism of nucleophilic substitutions on semiconductor surfaces is identical to molecular S N 2 reactions. Our findings illustrate how surface science and molecular chemistry can mutually benefit from each other and unexpected insight can be gained. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synthesis, chemical and biological properties of the new mono- and bis-derivatives of imidazoles

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E. V. Welchinska

2014-12-01

Institute of Pharmacology and Toxicology of National Academy of Medical Sciences of Ukraine. The lectin’s preparations were obtained by treatment of culture Liquid of saprophytic strain Bacillus from Ukrainian Collection of Microorganisms of Institute of Microbiology and Virology (IMV: B. polymyxa 102 KGU; in future: lectine 102 was clarified by treatment with ammonium sulfate (70% concentration of a saturated solution. Results. For the first time the interaction of a series of imidazole substituted with halothane compounds have been investigated, the conditions of the reaction have been defined, the methods have been developed and the composition of the reaction products has been studied. The studies revealed that the initial heterocycle, namely imidazole reacts with the intermediate product of halothane conversion in an alkaline medium, under conditions of phase transfer catalysis DB-18-crown-6 in a solvent system (dimethyl formamide - benzene - diethyl ether or in another variant: in DMSO with the presence of anhydrous potassium carbonate with the formation of mono-and bis-derivatives of imidazole. This reaction made possible a new strategy of synthesis of selectively poly-functionalized molecules, the chemical structure of which is available for incorporation of new pharmacophore fragments into molecule. It has been discovered that mono-, bis-derivatives of imidazole, molecular complex of bis-derivative of imidazole and antitumour bacterial lectin are low toxic preparations (LD50: from 278 mg/kg to 102 mg/kg. Conclusion. New mono- and bis-adducts of imidazole, molecular complex of Bacillus polymyxa 102 KGU and imidazole bis-derivative have been prepared and its toxicity has been tested. New convenient methods for the preparation of heterocyclic mono- and bis-adducts of imidazole with 1,1,1-trifluoro-2-bromo-2-chloroethane (halothane have been described. The reactions were catalyzed by DB-18-crown-6-complex (at the alkali medium. Investigation of the critical toxicity

Alkylation of imidazole under ultrasound irradiation over alkaline carbons

International Nuclear Information System (INIS)

Costarrosa, L.; Calvino-Casilda, V.; Ferrera-Escudero, S.; Duran-Valle, C.J.; Martin-Aranda, R.M.

2006-01-01

N-Alkyl-imidazole has been synthesized by sonochemical irradiation of imidazole and 1-bromobutane using alkaline-promoted carbons (exchanged with the binary combinations of Na, K and Cs). The catalysts were characterized by X-ray photoelectron spectroscopy, thermal analysis and N 2 adsorption isotherms. Under the experimental conditions, N-alkyl-imidazoles can be prepared with a high activity and selectivity. It is observed that imidazole conversion increases in parallel with increasing the basicity of the catalyst. The influence of the alkaline promoter, the reaction temperature, and the amount of catalyst on the catalytic activity has been studied. For comparison, the alkylation of imidazole has also been performed in a batch reactor system under thermal activation

Local deformation behavior of surface porous polyether-ether-ketone.

Science.gov (United States)

Evans, Nathan T; Torstrick, F Brennan; Safranski, David L; Guldberg, Robert E; Gall, Ken

2017-01-01

Surface porous polyether-ether-ketone has the ability to maintain the tensile monotonic and cyclic strength necessary for many load bearing orthopedic applications while providing a surface that facilitates bone ingrowth; however, the relevant deformation behavior of the pore architecture in response to various loading conditions is not yet fully characterized or understood. The focus of this study was to examine the compressive and wear behavior of the surface porous architecture using micro Computed Tomography (micro CT). Pore architectures of various depths (~0.5-2.5mm) and pore sizes (212-508µm) were manufactured using a melt extrusion and porogen leaching process. Compression testing revealed that the pore architecture deforms in the typical three staged linear elastic, plastic, and densification stages characteristic of porous materials. The experimental moduli and yield strengths decreased as the porosity increased but there was no difference in properties between pore sizes. The porous architecture maintained a high degree of porosity available for bone-ingrowth at all strains. Surface porous samples showed no increase in wear rate compared to injection molded samples, with slight pore densification accompanying wear. Copyright © 2016 Elsevier Ltd. All rights reserved.

Comprehensive review in current developments of imidazole-based medicinal chemistry.

Science.gov (United States)

Zhang, Ling; Peng, Xin-Mei; Damu, Guri L V; Geng, Rong-Xia; Zhou, Cheng-He

2014-03-01

Imidazole ring is an important five-membered aromatic heterocycle widely present in natural products and synthetic molecules. The unique structural feature of imidazole ring with desirable electron-rich characteristic is beneficial for imidazole derivatives to readily bind with a variety of enzymes and receptors in biological systems through diverse weak interactions, thereby exhibiting broad bioactivities. The related research and developments of imidazole-based medicinal chemistry have become a rapidly developing and increasingly active topic. Particularly, numerous imidazole-based compounds as clinical drugs have been extensively used in the clinic to treat various types of diseases with high therapeutic potency, which have shown the enormous development value. This work systematically gives a comprehensive review in current developments of imidazole-based compounds in the whole range of medicinal chemistry as anticancer, antifungal, antibacterial, antitubercular, anti-inflammatory, antineuropathic, antihypertensive, antihistaminic, antiparasitic, antiobesity, antiviral, and other medicinal agents, together with their potential applications in diagnostics and pathology. It is hoped that this review will be helpful for new thoughts in the quest for rational designs of more active and less toxic imidazole-based medicinal drugs, as well as more effective diagnostic agents and pathologic probes. © 2013 Wiley Periodicals, Inc.

Catalytic constructive deoxygenation of lignin-derived phenols: new C-C bond formation processes from imidazole-sulfonates and ether cleavage reactions.

Science.gov (United States)

Leckie, Stuart M; Harkness, Gavin J; Clarke, Matthew L

2014-10-09

As part of a programme aimed at exploiting lignin as a chemical feedstock for less oxygenated fine chemicals, several catalytic C-C bond forming reactions utilising guaiacol imidazole sulfonate are demonstrated. These include the cross-coupling of a Grignard, a non-toxic cyanide source, a benzoxazole, and nitromethane. A modified Meyers reaction is used to accomplish a second constructive deoxygenation on a benzoxazole functionalised anisole.

The lattice dynamics of imidazole

International Nuclear Information System (INIS)

Link, K.H.

1983-05-01

The lattice dynamics of imidazole have been investigated. To this end dispersion curves have been determined at 10 K by inelastic coherent neutron scattering. RAMAN measurements have been done to investigate identical gamma - point modes. The combination of extinction rules for RAMAN - and neutron scattering leads to the symmetry assignment of identical gamma - point modes. The experiment yields a force constant of the streching vibration of the hydrogen bond of 0.33 mdyn/A. A force model has been developed to describe the intermolecular atom - atom Interactions in imidazole. (orig./BHO)

Synthesis of the zeolitic imidazolate framework ZIF-4 from the ionic liquid 1-butyl-3-methylimidazolium imidazolate

Science.gov (United States)

Hovestadt, Maximilian; Schwegler, Johannes; Schulz, Peter S.; Hartmann, Martin

2018-05-01

A new synthesis route for the zeolitic imidazolate framework ZIF-4 using imidazolium imidazolate is reported. Additionally, the ionic liquid-derived material is compared to conventional ZIF-4 with respect to the powder X-ray diffraction pattern pattern, nitrogen uptake, particle size, and separation potential for olefin/paraffin gas mixtures. Higher synthesis yields were obtained, and the different particle size affected the performance in the separation of ethane and ethylene.

Imidazole as a parent π-conjugated backbone in charge-transfer chromophores

Directory of Open Access Journals (Sweden)

Jiří Kulhánek

2012-01-01

Full Text Available Research activities in the field of imidazole-derived push–pull systems featuring intramolecular charge transfer (ICT are reviewed. Design, synthetic pathways, linear and nonlinear optical properties, electrochemistry, structure–property relationships, and the prospective application of such D-π-A organic materials are described. This review focuses on Y-shaped imidazoles, bi- and diimidazoles, benzimidazoles, bis(benzimidazoles, imidazole-4,5-dicarbonitriles, and imidazole-derived chromophores chemically bound to a polymer chain.

Complex-forming capacity of some biologically active imidazoles

Energy Technology Data Exchange (ETDEWEB)

Lenarcik, B; Wisniewski, M

1983-01-01

By using the potentiometric and spectrophotometric methods, formation of Co(2), Cu(2), Zn(2), Ni(2) and Cd(2) complexes of (3S-cis)-3-ethyl-dihydro-4-((1-methyl-1H-imidazol-5-yl)-methyl)-2(3H)-furanone (pilocarpine, PLC), 4,5-dihydro-2-(phenylmethyl)-1H-imidazole (tolazoline, TLZ), 2-methyl-5-nitro-1H-imidazole-1-ethanol (metronidazole, MET) and 1H-imidazole-4-ethanamine (histamine, HIST) was investigated. The stability constants, ..beta../sub n/, of these complexes were determined. It was shown that the electron-donor strength of the ligands was controlled by the heterocyclic nitrogen atom, and that the formation of the Zn(2)-PLC complex was accompanied by the change in the structure of the coordination sphere of the metal. With Cu(2), the PLC and TLZ ligands were shown to enhance the Jahn-Teller deformation.

Study of the improvement of the radioprotective power of imidazole; Etude de l'amelioration du pouvoir radioprotecteur de l'imidazole

Energy Technology Data Exchange (ETDEWEB)

Mourret, A; Rinaldi, R [Commissariat a l' Energie Atomique, 38 - Grenoble (France). Centre d' Etudes Nucleaires

1968-07-01

In studies made on the Imidazole radioprotective power, the authors have attempted to neutralize its convulsive properties by the Depamide so as to decrease drug toxicity. Then, having studied in what manner the two products simultaneous action could carry one increase of radioprotective activity, they have established that if the Depamide permits to decrease very much the Imidazole toxicity, the variation of radioprotection power which is subject to animal sex, generally increases for females and decreases for males. (authors) [French] Dans le cadre de l'etude du pouvoir radioprotecteur de l'Imidazole, les auteurs ont essaye de neutraliser les proprietes convulsivantes de cette substance par le Depamide afin d'en dimunuer la toxicite. Ayant ensuite etudie dans quelle mesure l'action simultanee de ces deux produits pouvait apporter une amelioration de l'activite radioprotectrice, ils ont constate que si le Depamide permet de diminuer tres sensiblement la toxicite de l'Imidazole, la variation du pouvoir radioprotecteur, qui depend du sexe de l'animal, augmente en general pour les femelles et diminue pour les males. (auteurs)

Enhanced osteogenic activity of poly ether ether ketone using calcium plasma immersion ion implantation.

Science.gov (United States)

Lu, Tao; Qian, Shi; Meng, Fanhao; Ning, Congqin; Liu, Xuanyong

2016-06-01

As a promising implantable material, poly ether ether ketone (PEEK) possesses similar elastic modulus to that of cortical bones yet suffers from bio-inertness and poor osteogenic properties, which limits its application as orthopedic implants. In this work, calcium is introduced onto PEEK surface using calcium plasma immersion ion implantation (Ca-PIII). The results obtained from scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS) confirm the modified layer with varying contents of calcium are formed on PEEK surfaces. Water contact angle measurements reveal the increasing hydrophobicity of both Ca-PIII treated surfaces. In vitro cell adhesion, viability assay, alkaline phosphatase activity and collagen secretion analyses disclose improved the adhesion, proliferation, and osteo-differentiation of rat bone mesenchymal stem cells (bMSCs) on Ca-PIII treated surfaces. The obtained results indicate that PEEK surface with enhanced osteogenic activity can be produced by calcium incorporation. Copyright © 2016 Elsevier B.V. All rights reserved.

Analysis of electron-irradiated poly-ether ether ketone by X-ray photoelectron spectroscopy

International Nuclear Information System (INIS)

Oyabu, Matashige; Kobayashi, Yoshinori; Seguchi, Tadao; Sasuga, Tsuneo; Kudoh, Hisaaki.

1995-01-01

Organic polymers used in atomic power plants or space are damaged by ionizing irradiation. Radicals produced by irradiation cause oxidation, chain scission and crosslinking, all of which lead to degradation of the material. In this paper, the surface of electron-irradiated poly-ether ether ketone (PEEK) was studied by X-ray photoelectron spectroscopy (XPS). The irradiation in air was found to oxidize the PEEK surface producing carboxyl groups, the content of which dependant on the dose. Carboxyl groups were not produced in helium gas. Quantitative spectral analysis indicated that the aromatic structure might be decomposed. Some comparison was made between the semicrystalline and amorphous samples. The oxygen content resulting from irradiation, of semicrystalline PEEK increased more than that of amorphous PEEK. (author)

Adsorbed States of phosphonate derivatives of N-heterocyclic aromatic compounds, imidazole, thiazole, and pyridine on colloidal silver: comparison with a silver electrode.

Science.gov (United States)

Podstawka, Edyta; Olszewski, Tomasz K; Boduszek, Bogdan; Proniewicz, Leonard M

2009-09-03

Here, we report a systematic surface-enhanced Raman spectroscopy (SERS) study of the structures of phosphonate derivatives of the N-heterocyclic aromatic compounds imidazole (ImMeP ([hydroxy(1H-imidazol-5-yl)methyl]phosphonic acid) and (ImMe)(2)P (bis[hydroxy-(1H-imidazol-4-yl)-methyl]phosphinic acid)), thiazole (BAThMeP (butylaminothiazol-2-yl-methyl)phosphonic acid) and BzAThMeP (benzylaminothiazol-2-yl-methyl)phosphonic acid)), and pyridine ((PyMe)(2)P (bis[(hydroxypyridin-3-yl-methyl)]phosphinic acid)) adsorbed on nanometer-sized colloidal particles. We compared these structures to those on a roughened silver electrode surface to determine the relationship between the adsorption strength and the geometry. For example, we showed that all of these biomolecules interact with the colloidal surface through aromatic rings. However, for BzAThMeP, a preferential interaction between the benzene ring and the colloidal silver surface is observed more so than that between the thiazole ring and this substrate. The PC(OH)C fragment does not take part in the adsorption process, and the phosphonate moiety of ImMeP and (ImMe)(2)P, being removed from the surface, only assists in this process.

Effects of atomic oxygen irradiation on the surface properties of phenolphthalein poly(ether sulfone)

International Nuclear Information System (INIS)

Pei Xianqiang; Li Yan; Wang Qihua; Sun Xiaojun

2009-01-01

To study the effects of low earth orbit environment on the surface properties of polymers, phenolphthalein poly(ether sulfone) (PES-C) blocks were irradiated by atomic oxygen in a ground-based simulation system. The surface properties of the pristine and irradiated blocks were studied by attenuated total-reflection FTIR (FTIR-ATR), X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM). It was found that atomic oxygen irradiation induced the destruction of PES-C molecular chains, including the scission and oxidation of PES-C molecular chains, as evidenced by FTIR and XPS results. The scission of PES-C molecular chains decreased the relative concentration of C in the surface, while the oxidation increased the relative concentration of O in the surface. The changes in surface chemical structure and composition also changed the surface morphology of the block, which shifted from smooth structure before irradiation to 'carpet-like' structure after irradiation

Evolution of glycaemia in the blood of mice in the presence or absence of imidazole; Evolution de la glycemie sanguine chez la souris protegee ou non par l'imidazole

Energy Technology Data Exchange (ETDEWEB)

Polverelli, M; Teoule, R [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

1969-07-01

With respect to the radioprotective properties of the heterocyclic compound, imidazole, the authors followed the action of this product on blood sugar levels of mice X irradiated with a lethal dose. The main results of this work are: probably a hypo-glycemic action of the imidazole; an abolishment of the post-irradiation hyperglycemia by imidazole; an appreciably difference between male and female towards irradiation. (author) [French] Dans le cadre de l'etude des proprietes radioprotectrices de l'imidazole, nous nous sommes attaches a suivre l'action de ce produit sur le taux de glucose sanguin de souris irradiees a dose letale. Les principaux resultats de ce travail sont les suivants: l'action probablement hypoglycemiante de l'imidazole; en tant que radioprotecteur, cet heterocycle azote supprime l'hyperglycemie consecutive a l'irradiation; une difference assez sensible entre males et femelles vis-a-vis de l'irradiation. (auteur)

Hardness and wear properties of boron-implanted poly(ether-ether-ketone) and poly-ether-imide

International Nuclear Information System (INIS)

Lee Youngchul; Lee, E.H.; Mansur, L.K.

1992-01-01

The effects of boron beam irradiation on the hardness, friction, and wear of polymer surfaces were investigated. Typical high-performance thermoplastics, poly(ether-ether-ketone) (PEEK) and a poly-ether-imide (Ultem) were studied after 200 keV boron ion beam treatment at ambient temperature to doses of 2.3x10 14 , 6.8x10 14 , and 2.2x10 15 ions cm -2 . The hardnesses of pristine and boron-implanted materials were characterized by a conventional Knoop method and a load-depth sensing nanoindentation technique. Both measurements showed a significant increase in hardness with increasing dose. The increase in hardness was also found to depend on the penetration depth of the diamond indenter. Wear and friction properties were characterized by a reciprocating sliding friction tester with an SAE 52100 high-carbon, chrome steel ball at 0.5 and 1 N normal loads. Wear and frictional properties varied in a complex fashion with polymer type and dose, but not much with normal load. A substantial reduction in friction coefficient was observed for PEEK at the highest dose but no reduction was observed for Ultem. The wear damage was substantially reduced at the highest dose for both Ultem and PEEK. For the system studied, the highest dose, 2.2x10 15 ions cm -2 , appears to be optimum in improving wear resistance for both PEEK and Ultem. (orig.)

{Tris[2-(imidazol-2-ylmethyliminoethyl]methylammonium}iron(II tris(perchlorate dihydrate

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Greg A. Brewer

2008-01-01

Full Text Available The title complex, [Fe(C19H27N10](ClO43·2H2O, is a new polymorph of an iron(II Schiff base complex of tris(2-aminoethylmethylammonium with imidazole-2-carboxaldehyde. The octahedral FeII atom is bound to three facial imidazole N atoms with average Fe—Nimidazole and Fe—Nimine bond distances of 1.963 (5 and 1.951 (5 Å, respectively. The central N atom of the tripodal ligand is outside the bonding distance at 3.92 Å. The crystal packing is stabilized by the hydrogen-bonding interactions between the two water molecules (acceptor and two of the three imidazole NH groups (donor. The third imidazole NH group (donor forms a hydrogen bond to one of the three perchlorate counter-ions (acceptor.

A highly sensitive and selective dimethyl ether sensor based on cataluminescence.

Science.gov (United States)

Zhang, Runkun; Cao, Xiaoan; Liu, Yonghui; Peng, Yan

2010-07-15

A sensor for detecting dimethyl ether was designed based on the cataluminescence phenomenon when dimethyl ether vapors were passing through the surface of the ceramic heater. The proposed sensor showed high sensitivity and selectivity to dimethyl ether at an optimal temperature of 279 degrees C. Quantitative analysis were performed at a wavelength of 425 nm, the flow rate of carrier air is around 300 mL/min. The linear range of the cataluminescence intensity versus concentration of dimethyl ether is 100-6.0x10(3) ppm with a detection limit of 80 ppm. The sensor response time is 2.5 s. Under the optimized conditions, none or only very low levels of interference were observed while the foreign substances such as benzene, formaldehyde, ammonia, methanol, ethanol, acetaldehyde, acetic acid, acrolein, isopropyl ether, ethyl acetate, glycol ether and 2-methoxyethanol were passing through the sensor. Since the sensor does not need to prepare and fix up the granular catalyst, the simple technology reduces cost, improves stability and extends life span. The method can be applied to facilitate detection of dimethyl ether in the air. The possible mechanism of cataluminescence from the oxidation of dimethyl ether on the surface of ceramic heater was discussed based on the reaction products. Copyright 2010 Elsevier B.V. All rights reserved.

Transition-metal-free synthesis of N-(1-alkenyl)imidazoles by potassium phosphate-promoted addition reaction of alkynes to imidazoles.

Science.gov (United States)

Lu, Linhua; Yan, Hong; Liu, Defu; Rong, Guangwei; Mao, Jincheng

2014-01-01

The addition reaction of alkynes to N-heterocycles by simply heating in DMSO with potassium phosphate is reported. Good yields with high stereoselectivity could be achieved for a range of substrates. The scope is quite general for both amines and phenylacetylenes. In addition, internal alkynes and α-bromostyrene were also examined in this reaction. This process is efficient and useful for the synthesis of (Z)-N-(1-alkenyl)imidazoles and related Z products. Thus, the reaction is useful because of the importance of the imidazole scaffold. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Evolutionary convergence in the biosyntheses of the imidazole moieties of histidine and purines.

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Alberto Vázquez-Salazar

Full Text Available The imidazole group is an ubiquitous chemical motif present in several key types of biomolecules. It is a structural moiety of purines, and plays a central role in biological catalysis as part of the side-chain of histidine, the amino acid most frequently found in the catalytic site of enzymes. Histidine biosynthesis starts with both ATP and the pentose phosphoribosyl pyrophosphate (PRPP, which is also the precursor for the de novo synthesis of purines. These two anabolic pathways are also connected by the imidazole intermediate 5-aminoimidazole-4-carboxamide ribotide (AICAR, which is synthesized in both routes but used only in purine biosynthesis. Rather surprisingly, the imidazole moieties of histidine and purines are synthesized by different, non-homologous enzymes. As discussed here, this phenomenon can be understood as a case of functional molecular convergence.In this work, we analyze these polyphyletic processes and argue that the independent origin of the corresponding enzymes is best explained by the differences in the function of each of the molecules to which the imidazole moiety is attached. Since the imidazole present in histidine is a catalytic moiety, its chemical arrangement allows it to act as an acid or a base. On the contrary, the de novo biosynthesis of purines starts with an activated ribose and all the successive intermediates are ribotides, with the key β-glycosidic bondage joining the ribose and the imidazole moiety. This prevents purine ribonucleotides to exhibit any imidazole-dependent catalytic activity, and may have been the critical trait for the evolution of two separate imidazole-synthesizing-enzymes. We also suggest that, in evolutionary terms, the biosynthesis of purines predated that of histidine.As reviewed here, other biosynthetic routes for imidazole molecules are also found in extant metabolism, including the autocatalytic cyclization that occurs during the formation of creatinine from creatine phosphate

Evolution of glycaemia in the blood of mice in the presence or absence of imidazole; Evolution de la glycemie sanguine chez la souris protegee ou non par l'imidazole

Energy Technology Data Exchange (ETDEWEB)

Polverelli, M.; Teoule, R. [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

1969-07-01

With respect to the radioprotective properties of the heterocyclic compound, imidazole, the authors followed the action of this product on blood sugar levels of mice X irradiated with a lethal dose. The main results of this work are: probably a hypo-glycemic action of the imidazole; an abolishment of the post-irradiation hyperglycemia by imidazole; an appreciably difference between male and female towards irradiation. (author) [French] Dans le cadre de l'etude des proprietes radioprotectrices de l'imidazole, nous nous sommes attaches a suivre l'action de ce produit sur le taux de glucose sanguin de souris irradiees a dose letale. Les principaux resultats de ce travail sont les suivants: l'action probablement hypoglycemiante de l'imidazole; en tant que radioprotecteur, cet heterocycle azote supprime l'hyperglycemie consecutive a l'irradiation; une difference assez sensible entre males et femelles vis-a-vis de l'irradiation. (auteur)

Dual role of imidazole as activator/inhibitor of sweet almond (Prunus dulcis β-glucosidase

Directory of Open Access Journals (Sweden)

Sara Caramia

2017-07-01

Full Text Available The activity of Prunus dulcis (sweet almond β-glucosidase at the expense of p-nitrophenyl-β-d-glucopyranoside at pH 6 was determined, both under steady-state and pre-steady-state conditions. Using crude enzyme preparations, competitive inhibition by 1–5 mM imidazole was observed under both kinetic conditions tested. However, when imidazole was added to reaction mixtures at 0.125–0.250 mM, we detected a significant enzyme activation. To further inspect this effect exerted by imidazole, β-glucosidase was purified to homogeneity. Two enzyme isoforms were isolated, i.e. a full-length monomer, and a dimer containing a full-length and a truncated subunit. Dimeric β-glucosidase was found to perform much better than the monomeric enzyme, independently of the kinetic conditions used to assay enzyme activity. In addition, the sensitivity towards imidazole was found to differ between the two isoforms. While monomeric enzyme was indeed found to be relatively insensitive to imidazole, dimeric β-glucosidase was observed to be significantly activated by 0.125–0.250 mM imidazole under pre-steady-state conditions. Further, steady-state assays revealed that the addition of 0.125 mM imidazole to reaction mixtures increases the Km of dimeric enzyme from 2.3 to 6.7 mM. The activation of β-glucosidase dimer by imidazole is proposed to be exerted via a conformational transition poising the enzyme towards proficient catalysis.

Dual role of imidazole as activator/inhibitor of sweet almond (Prunus dulcis) β-glucosidase.

Science.gov (United States)

Caramia, Sara; Gatius, Angela Gala Morena; Dal Piaz, Fabrizio; Gaja, Denis; Hochkoeppler, Alejandro

2017-07-01

The activity of Prunus dulcis (sweet almond) β-glucosidase at the expense of p -nitrophenyl-β-d-glucopyranoside at pH 6 was determined, both under steady-state and pre-steady-state conditions. Using crude enzyme preparations, competitive inhibition by 1-5 mM imidazole was observed under both kinetic conditions tested. However, when imidazole was added to reaction mixtures at 0.125-0.250 mM, we detected a significant enzyme activation. To further inspect this effect exerted by imidazole, β-glucosidase was purified to homogeneity. Two enzyme isoforms were isolated, i.e. a full-length monomer, and a dimer containing a full-length and a truncated subunit. Dimeric β-glucosidase was found to perform much better than the monomeric enzyme, independently of the kinetic conditions used to assay enzyme activity. In addition, the sensitivity towards imidazole was found to differ between the two isoforms. While monomeric enzyme was indeed found to be relatively insensitive to imidazole, dimeric β-glucosidase was observed to be significantly activated by 0.125-0.250 mM imidazole under pre-steady-state conditions. Further, steady-state assays revealed that the addition of 0.125 mM imidazole to reaction mixtures increases the K m of dimeric enzyme from 2.3 to 6.7 mM. The activation of β-glucosidase dimer by imidazole is proposed to be exerted via a conformational transition poising the enzyme towards proficient catalysis.

Friction Regimes of Water-Lubricated Diamond (111): Role of Interfacial Ether Groups and Tribo-Induced Aromatic Surface Reconstructions

Science.gov (United States)

Kuwahara, Takuya; Moras, Gianpietro; Moseler, Michael

2017-09-01

Large-scale quantum molecular dynamics of water-lubricated diamond (111) surfaces in sliding contact reveals multiple friction regimes. While water starvation causes amorphization of the tribological interface, small H2O traces are sufficient to preserve crystallinity. This can result in high friction due to cold welding via ether groups or in ultralow friction due to aromatic surface passivation triggered by tribo-induced Pandey reconstruction. At higher water coverage, Grotthuss-type diffusion and H2O dissociation yield dense H /OH surface passivation leading to another ultralow friction regime.

Silylation of leached-vermiculites following reaction with imidazole and copper sorption behavior

Energy Technology Data Exchange (ETDEWEB)

Santos, Saloana S.G.; Pereira, Mariana B.B. [Chemistry Department of Paraíba Federal University, João Pessoa, Paraíba (Brazil); Almeida, Ramon K.S. [Instituto de Química, Universidade Estadual de Campinas, Caixa Postal 6154, 13083-970 Campinas, São Paulo (Brazil); Souza, Antônio G. [Chemistry Department of Paraíba Federal University, João Pessoa, Paraíba (Brazil); Fonseca, Maria G., E-mail: mgardennia@quimica.ufpb.br [Chemistry Department of Paraíba Federal University, João Pessoa, Paraíba (Brazil); Jaber, M. [Sorbonne Universités, UPMC Univ Paris 06, CNRS, UMR 8220, Laboratoire d' archéologie moléculaire et structurale (LAMS), Boîte courrier 225, 4 place Jussieu, 75005 Paris (France)

2016-04-05

Highlights: • Silylated vermiculites reacted covalently with imidazole. • Modified vermiculites adsorbed copper from aqueous solution. • Copper retention in all solids occurred at rapid time of 80 min. • Higher organic content on the solid improved the copper adsorption. - Abstract: Organically modified vermiculites were synthesized by previous silylation of three leached vermiculites, V0.3Cl, V0.5Cl and V0.8Cl, under anhydrous conditions following reaction with imidazole (Im), which acted as chelating agent for copper retention. Elemental analysis, X-ray diffraction, infrared spectroscopy, scanning electronic microscopy, transmission electron microscopy, {sup 29}Si and {sup 13}C NMR and nitrogen adsorption/desorption measurements were used to characterize pristine, leached and organofunctionalized solids. X-ray photoelectron spectroscopy (XPS) was used to evaluate the surface after copper sorption. Parameters such as contact time, pH and initial cation concentration for the adsorption of Cu(II) ions were investigated. The adsorption equilibrium data were fitted using the Langmuir isotherm model and the monolayer adsorption capacities were 2.38, 2.52 and 2.69 mmol g{sup −1} for V0.5Cl-Im, V0.3Cl-Im and V0.8Cl-Im, respectively, at pH 6.0 and 298 K for a time reaction of 80 min. The sorption rates were described by pseudo-second-order kinetics. The chloropropyl imidazole vermiculites are promising adsorbents for the rapid removal of Cu(II) ions from aqueous solution.

On the mechanism of action of ribonucleases: dinucleotide cleavage catalyzed by imidazole and Zn2+.

OpenAIRE

Breslow, R; Huang, D L; Anslyn, E

1989-01-01

Cyclization/cleavage of the 2-(p-nitrophenyl) phosphate ester of propylene glycol is catalyzed by imidazole and, much more effectively, by Zn2+ with imidazole. In the latter case, the mechanism involves simultaneous Lewis acid/base catalysis. Similar Zn2+ and imidazole catalysis of cyclization/cleavage is seen with the dinucleotide 3',5'-UpU (uridylyluridine). Again, the zinc system is much more effective than is catalysis by imidazole alone, and in this case simultaneous Lewis acid/base cata...

Coordination compounds of metals with imidazoles and benzimidazoles

International Nuclear Information System (INIS)

Novikova, G.A.; Molodkin, A.K.; Kukalenko, S.S.

1988-01-01

Methods of preparation, composition and structure of UO 2 2+ , Th 4+ , Mo 3+ , Cd 2+ , Ln 3+ metal ion complexes with imidazoles and benzimidazoles are considered in reviews of native and foreign literature of up to 1985. Complexes are customarily prepared by direct interaction of ligands with inorganic salts in different organic solvents. Complex composition is defined by the nature of complexing metal and inorganic salt anion, ligand volume and basicity, as well as solvent characteristics. Effect of R substituent in imidazole and benzimidazole side chain on composition of coordination compounds is considered

Microwave-Assisted Solvent-Free Synthesis of Zeolitic Imidazolate Framework-67

Directory of Open Access Journals (Sweden)

Heng Zhang

2016-01-01

Full Text Available A microporous metal-organic framework (MOF, cobalt-based zeolitic imidazolate framework-67 (ZIF-67, was synthesized by the combination of solvent-free hand-mill and microwave irradiation, without any organic solvent and within 30 minutes. The hand-milling process can mix the reactants well by the virtue of high moisture/water absorption capacity of reactants. In addition, the outstanding electromagnetic wave absorption capability of cobalt leads to efficient conversion to MOF structures before carbonization. The obtained ZIF-67 possesses high surface area and micropore volume.

CNTs grown on nanoporous carbon from zeolitic imidazolate frameworks for supercapacitors.

Science.gov (United States)

Kim, Jeonghun; Young, Christine; Lee, Jaewoo; Park, Min-Sik; Shahabuddin, Mohammed; Yamauchi, Yusuke; Kim, Jung Ho

2016-10-27

Carbon nanotubes (CNT) grown on nanoporous carbon (NPC), which yields coexisting amorphous and graphitic nanoarchitectures, have been prepared on a large scale from zeolitic imidazolate framework (ZIF) by introducing bimetallic ions (Co 2+ and Zn 2+ ). Interestingly, the hybrid Co/Zn-ZIF-derived NPC showed rich graphitic CNTs on the surface. This NPC was utilized for a coin-type supercapacitor cell with an aqueous electrolyte, which showed enhanced retention at high current density and good stability over 10 000 cycles.

Comparison of Properties among Dendritic and Hyperbranched Poly(ether ether ketones and Linear Poly(ether ketones

Directory of Open Access Journals (Sweden)

Atsushi Morikawa

2016-02-01

Full Text Available Poly(ether ether ketone dendrimers and hyperbranched polymers were prepared from 3,5-dimethoxy-4′-(4-fluorobenzoyldiphenyl ether and 3,5-dihydroxy-4′-(4-fluorobenzoyldiphenyl ether through aromatic nucleophilic substitution reactions. 1-(tert-Butyldimethylsiloxy-3,5-bis(4-fluorobenzoylbenzene was polycondensed with bisphenols, followed by cleavage of the protective group to form linear poly(ether ketones having the same hydroxyl groups in the side chains as the chain ends of the dendrimer and hyperbranched polymers. Their properties, such as solubilities, reduced viscosities, and thermal properties, were compared with one another. Similar comparisons were also carried out among the corresponding methoxy group polymers, and the size of the molecules was shown to affect the properties.

Characterization of melt-blended graphene – poly(ether ether ketone) nanocomposite

International Nuclear Information System (INIS)

Tewatia, Arya; Hendrix, Justin; Dong, Zhizhong; Taghon, Meredith; Tse, Stephen; Chiu, Gordon; Mayo, William E.; Kear, Bernard; Nosker, Thomas; Lynch, Jennifer

2017-01-01

Using a high shear melt-processing method, graphene-reinforced polymer matrix composites (G-PMCs) were produced with good distribution and particle–matrix interaction of bi/trilayer graphene at 2 wt. % and 5 wt. % in poly ether ether ketone (2Gn-PEEK and 5Gn-PEEK). The morphology, structure, thermal properties, and mechanical properties of PEEK, 2Gn-PEEK and 5 Gn-PEEK were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), differential scanning calorimetry (DSC), thermal gravimetric analysis (TGA), flexural mechanical testing, and dynamic mechanical analysis (DMA). Addition of graphene to PEEK induces surface crystallization, increased percent crystallinity, offers a composite that is thermally stable until 550 °C and enhances thermomechanical properties. Results show that graphene was successfully melt-blended within PEEK using this method.

Characterization of melt-blended graphene – poly(ether ether ketone) nanocomposite

Energy Technology Data Exchange (ETDEWEB)

Tewatia, Arya; Hendrix, Justin [Department of Materials Science and Engineering, Rutgers University, 607 Taylor Road, Piscataway, NJ, 08854 (United States); Dong, Zhizhong [Department of Mechanical Engineering, Rutgers University, 98 Brett Road, Piscataway, NJ 08854 (United States); Taghon, Meredith [Department of Materials Science and Engineering, Rutgers University, 607 Taylor Road, Piscataway, NJ, 08854 (United States); Tse, Stephen [Department of Mechanical Engineering, Rutgers University, 98 Brett Road, Piscataway, NJ 08854 (United States); Chiu, Gordon; Mayo, William E.; Kear, Bernard; Nosker, Thomas [Department of Materials Science and Engineering, Rutgers University, 607 Taylor Road, Piscataway, NJ, 08854 (United States); Lynch, Jennifer, E-mail: jklynch@rci.rutgers.edu [Department of Materials Science and Engineering, Rutgers University, 607 Taylor Road, Piscataway, NJ, 08854 (United States)

2017-02-15

Using a high shear melt-processing method, graphene-reinforced polymer matrix composites (G-PMCs) were produced with good distribution and particle–matrix interaction of bi/trilayer graphene at 2 wt. % and 5 wt. % in poly ether ether ketone (2Gn-PEEK and 5Gn-PEEK). The morphology, structure, thermal properties, and mechanical properties of PEEK, 2Gn-PEEK and 5 Gn-PEEK were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), differential scanning calorimetry (DSC), thermal gravimetric analysis (TGA), flexural mechanical testing, and dynamic mechanical analysis (DMA). Addition of graphene to PEEK induces surface crystallization, increased percent crystallinity, offers a composite that is thermally stable until 550 °C and enhances thermomechanical properties. Results show that graphene was successfully melt-blended within PEEK using this method.

Characterization for coating processes of imidazole powders using an ultrasonic atomizer

Energy Technology Data Exchange (ETDEWEB)

Lee, Jun Sik; Kim, Jun Ki [Korea Institute of Industrial Technology, Incheon (Korea, Republic of); Kim, Mok Soon [Inha University, Incheon (Korea, Republic of); Lee, Jong Hyun [Seoul National University, Seoul (Korea, Republic of)

2010-01-15

Imidazole-curing accelerator powders were coated with stearic acid to increase the pot life of anisotropic conductive adhesive (ACA) formulations. To accomplish an efficient coating process, the coating was tested using an ultrasonic atomizer after mixing imidazole powders with a molten coating agent. Design of experiments analysis was organized to elucidate the effect of process parameters and to determine the most crucial parameter. The final formulation incorporating well-processed imidazole loaded powders indicated longer pot life, higher shear strength, and excellent highly accelerated stress test (HAST) reliability. Results show that the coating process using an ultrasonic atomizer is effective in increasing the pot life of ACA formulations

Numerical analysis of spray characteristics of dimethyl ether and diethyl ether fuel

International Nuclear Information System (INIS)

Mohan, Balaji; Yang, Wenming; Yu, Wenbin; Tay, Kun Lin

2017-01-01

Highlights: • Thermo-physical properties of liquid DME and DEE are reported. • Ether fuels tend to cavitate higher compared to that of diesel fuel. • Spray tip penetration and SMD are found to be lesser for ether fuels. • Ether fuels shows excellent atomization behavior. - Abstract: In this work, the spray characteristics of ether fuels such as dimethyl ether (DME) and diethyl ether (DEE) have been numerically investigated using KIVA-4 CFD code. A new hybrid spray model developed by coupling the standard KHRT model to cavitation sub model was used. The detailed thermo-physical properties of ether fuels have been predicted and validated with experimental results available from literature. The cavitation inception inside the injector nozzle hole has been studied for ether fuels in comparison with diesel fuel. It was found that ether fuels cavitates higher compared to that of conventional diesel fuel because of its low viscosity. The spray tip penetration of diesel fuel was longer than that of ether fuels due to high viscosity and density of diesel fuel. Ether fuels characterized by low Ohnesorge number and high Reynolds number showed better atomization behavior compared to that of the diesel fuel.

Some thiocyanato complexes of cadmium(II) with substituted pyridines and imidazoles

Energy Technology Data Exchange (ETDEWEB)

Mishra, B P; Ramana Rao, D V [Regional Engineering Coll., Rourkela (India). Dept. of Chemistry

1979-05-01

The complexes formed by cadmium(II) thiocyanate with 3-acetyl-, 3-bromo-, 3-methyl-, 4-acetyl-, 4-cyano-, 4-benzoyl pyridines, isoquinoline, 3,5-lutidine and imidazole, 2-methyl imidazole, 2-methyl benzimidazoles have been characterised through elemental analysis and molar conductance data. On the basis of infra-red spectroscopic studies, probable structures are discussed.

A point mutation of valine-311 to methionine in Bacillus subtilis protoporphyrinogen oxidase does not greatly increase resistance to the diphenyl ether herbicide oxyfluorfen.

Science.gov (United States)

Jeong, Eunjoo; Houn, Thavrak; Kuk, Yongin; Kim, Eun-Seon; Chandru, Hema Kumar; Baik, Myunggi; Back, Kyoungwhan; Guh, Ja-Ock; Han, Oksoo

2003-10-01

In an effort to asses the effect of Val311Met point mutation of Bacillus subtilis protoporphyrinogen oxidase on the resistance to diphenyl ether herbicides, a Val311Met point mutant of B. subtilis protoporphyrinogen oxidase was prepared, heterologously expressed in Escherichia coli, and the purified recombinant Val311Met mutant protoporphyrinogen oxidase was kinetically characterized. The mutant protoporphyrinogen oxidase showed very similar kinetic patterns to wild type protoporphyrinogen oxidase, with slightly decreased activity dependent on pH and the concentrations of NaCl, Tween 20, and imidazole. When oxyfluorfen was used as a competitive inhibitor, the Val311Met mutant protoporphyrinogen oxidase showed an increased inhibition constant about 1.5 times that of wild type protoporphyrinogen oxidase. The marginal increase of the inhibition constant indicates that the Val311Met point mutation in B. subtilis protoporphyrinogen oxidase may not be an important determinant in the mechanism that protects protoporphyrinogen oxidase against diphenyl ether herbicides.

cobaloxime by imidazoles and amino acids

Indian Academy of Sciences (India)

Unknown

to replicate them in experimental model systems with ... Axial ligation kinetics was monitored .... A trans influence study in propyl (aquo)cobaloxime by imidazoles and amino acids. 307 .... unfilled π* anti-bonding orbitals through dπ–pπ back-.

Optimization of Biodiesel-Diesel Blended Fuel Properties and Engine Performance with Ether Additive Using Statistical Analysis and Response Surface Methods

Directory of Open Access Journals (Sweden)

Obed M. Ali

2015-12-01

Full Text Available In this study, the fuel properties and engine performance of blended palm biodiesel-diesel using diethyl ether as additive have been investigated. The properties of B30 blended palm biodiesel-diesel fuel were measured and analyzed statistically with the addition of 2%, 4%, 6% and 8% (by volume diethyl ether additive. The engine tests were conducted at increasing engine speeds from 1500 rpm to 3500 rpm and under constant load. Optimization of independent variables was performed using the desirability approach of the response surface methodology (RSM with the goal of minimizing emissions and maximizing performance parameters. The experiments were designed using a statistical tool known as design of experiments (DoE based on RSM.

High-Resolution Infrared Spectroscopy of Imidazole Clusters in Helium Droplets Using Quantum Cascade Lasers

Science.gov (United States)

Mani, Devendra; Can, Cihad; Pal, Nitish; Schwaab, Gerhard; Havenith, Martina

2017-06-01

Imidazole ring is a part of many biologically important molecules and drugs. Imidazole monomer, dimer and its complexes with water have earlier been studied using infrared spectroscopy in helium droplets^{1,2} and molecular beams^{3}. These studies were focussed on the N-H and O-H stretch regions, covering the spectral region of 3200-3800 \\wn. We have extended the studies on imidazole clusters into the ring vibration region. The imidazole clusters were isolated in helium droplets and were probed using a combination of infrared spectroscopy and mass spectrometry. The spectra in the region of 1000-1100 \\wn and 1300-1460 \\wn were recorded using quantum cascade lasers. Some of the observed bands could be assigned to imidazole monomer and higher order imidazole clusters, using pickup curve analysis and ab initio calculations. Work is still in progress. The results will be discussed in detail in the talk. References: 1) M.Y. Choi and R.E. Miller, J. Phys. Chem. A, 110, 9344 (2006). 2) M.Y. Choi and R.E. Miller, Chem. Phys. Lett., 477, 276 (2009). 3) J. Zischang, J. J. Lee and M. Suhm, J. Chem. Phys., 135, 061102 (2011). Note: This work was supported by the Cluster of Excellence RESOLV (Ruhr-Universitat EXC1069) funded by the Deutsche Forschungsgemeinschaft.

Multifunctional switches based on bis-imidazole derivative

Indian Academy of Sciences (India)

Administrator

photonic, chemical, electrochemical, or magnetic stimuli and generate ... that upon oxidation with potassium ferricyanide in ethanolic ... cooled to room temperature and filtered to remove ... Recrystaliztion from ethanol afforded the imidazole 3.

Interpolymer complexses of vinyl ether copolymer with polyacrylic and polymethacrylic acids

Directory of Open Access Journals (Sweden)

E. Shaikhutdinov

2012-03-01

Full Text Available The interactions between macromolecules of copolymers based on vinyl ethers (vinyl ether of monoethanolamine and vinyl buthyl ether and 2-acryloilamido-2-methylpropanesulphonic acid with polyacrylic and polymethacrylic acid and, as well as study the effect of interpolymer interactions in the adsorption of polymers at the aqueous solution-air interface were investigated. The observed synergistic increase in surface activity of macromolecules into polyelectrolyte mixtures explained by the formation of interpolymer complexes polyacid - copolymer.

Synthesis of Trisubstituted Imidazoles Using Lewis and Bronsted Acid Catalysts

OpenAIRE

Hekmatshoar, Rahim; HEKMATSHOAR, Rahim; JAHANBAKHSHI, Hajar; MOUSAVIZADEH, Farnoosh; RAHNAMAFAR, Reyhane

2010-01-01

An efficient and one-pot method for the preparation of trisubstituted imidazoles by condensation of benzil, different aldehydes and ammonium acetate in the presence of  a catalytic amount of NiSO4.7H2O or H3BO3 under different conditions is reported.                    Key Words: Trisubstituted imidazoles, Multi-component &a...

Cosmic Ether

CERN Document Server

Tomaschitz, R

1998-01-01

A prerelativistic approach to particle dynamics is explored in an expanding Robertson-Walker cosmology. The receding galactic background provides a distinguished frame of reference and a unique cosmic time. In this context the relativistic, purely geometric space-time concept is criticized. Physical space is regarded as a permeable medium, the cosmic ether, which effects the world-lines of particles and rays. We study in detail a Robertson-Walker universe with linear expansion factor and negatively curved, open three-space; we choose the permeability tensor of the ether in such a way that the semiclassical approximation is exact. Galactic red-shifts depend on the refractive index of the ether. In the local Minkowskian limit the ether causes a time variation of mass, which scales inversely proportional to cosmic time. In the globally geodesic rest frames of galactic observers the ether manifests itself in an unbounded speed of signal transfer, in bifurcations of world-lines, and in time inversion effects.

Imidazole and Triazole Coordination Chemistry for Antifouling Coatings

Directory of Open Access Journals (Sweden)

Markus Andersson Trojer

2013-01-01

Full Text Available Fouling of marine organisms on the hulls of ships is a severe problem for the shipping industry. Many antifouling agents are based on five-membered nitrogen heterocyclic compounds, in particular imidazoles and triazoles. Moreover, imidazole and triazoles are strong ligands for Cu2+ and Cu+, which are both potent antifouling agents. In this review, we summarize a decade of work within our groups concerning imidazole and triazole coordination chemistry for antifouling applications with a particular focus on the very potent antifouling agent medetomidine. The entry starts by providing a detailed theoretical description of the azole-metal coordination chemistry. Some attention will be given to ways to functionalize polymers with azole ligands. Then, the effect of metal coordination in azole-containing polymers with respect to material properties will be discussed. Our work concerning the controlled release of antifouling agents, in particular medetomidine, using azole coordination chemistry will be reviewed. Finally, an outlook will be given describing the potential for tailoring the azole ligand chemistry in polymers with respect to Cu2+ adsorption and Cu2+→Cu+ reduction for antifouling coatings without added biocides.

Spectroscopic study of 2-, 4- and 5-substituents on p Ka values of imidazole heterocycles prone to intramolecular proton-electrons transfer

Science.gov (United States)

Eseola, Abiodun O.; Obi-Egbedi, Nelson O.

2010-02-01

New 2-(1H-imidazol-2-yl)phenols ( L1Et- L8tBuPt) bearing a phenolic proton in the vicinity of the imidazole base were prepared and characterized. Experimental studies of the dependence of their protonation/deprotonation equilibrium on substituent identities and intramolecular hydrogen bonding tendencies were carried out using electronic absorption spectroscopy at varying pH values. In order to make comparison, 2-(anthracen-10-yl)-4,5-diphenyl-1H-imidazole ( L9Anthr) bearing no phenolic proton and 4,5-diphenyl-2-(4,5-diphenyl-1H-imidazol-2-yl)-1H-imidazole ( L10BisIm) bearing two symmetrical imidazole base fragments were also prepared and experimentally investigated. DFT calculations were carried out to study frontier orbitals of the investigated molecules. While electron-releasing substituents produced increase in protonation-deprotonation p Kas for the hydroxyl group, values for the imidazole base were mainly affected by polarization of the imidazole ring aromaticity across the 2-imidazole carbon and the 4,5-imidazole carbons axis of the imidazole ring. It was concluded that electron-releasing substituents on the phenol ring and/or electron-withdrawing substituents on 4,5-imidazole carbons negatively affects donor strengths/coordination chemistries of 2-(1H-imidazol-2-yl)phenols, and vice versa. Change of substituents on the phenol ring significantly altered the donor strength of the imidazole base. The understanding of p Ka variation on account of electronic effects of substituents in this work should aid the understanding of biochemical properties and substituent environments of imidazole-containing biomacromolecules.

Phase transition behavior of novel pH-sensitive polyaspartamide derivatives grafted with 1-(3-aminopropyl)imidazole.

Science.gov (United States)

Seo, Kwangwon; Kim, Dukjoon

2006-09-15

New pH-sensitive polyaspartamide derivatives were synthesized by grafting 1-(3-aminopropyl)imidazole and/or O-(2-aminoethyl)-O'-methylpoly(ethylene glycol) 5000 on polysuccinimide for application in intracellular drug delivery systems. The DS of 1-(3-aminopropyl)imidazole was adjusted by the feed molar ratio, and the structure of the prepared polymer was confirmed using FT-IR and 1H NMR spectroscopy. Their pH-sensitive properties were characterized by light transmittance measurements, and the particle size and its distribution were investigated by dynamic light scattering measurements at varying pH values. The pH-sensitive phase transition was clearly observed in polymer solutions with a high substitution of 1-(3-aminopropyl)imidazole. The prepared polymers showed a high buffering capacity between pH 5 and 7, and this increased with the DS of 1-(3-aminopropyl)imidazole. The pH dependence of the aggregation and de-aggregation behavior was examined using a fluorescence spectrometer. For MPEG/imidazole-g-polyaspartamides with a DS of 1-(3-aminopropyl)imidazole over 82%, self aggregates associated with the hydrophobic interactions of the unprotonated imidazole groups were observed at pH values above 7, and their mean size was over 200 nm, while the aggregates of polymers were dissociated at pH values below 7 by the protonation of imidazole groups. These pH-sensitive polyaspartamide derivatives are potential basic candidates for intracellular drug delivery carriers triggered by small pH changes.

1-[(3-Aryloxy-3-aryl)propyl]-1H-imidazoles, new imidazoles with potent activity against Candida albicans and dermatophytes. Synthesis, structure-activity relationship, and molecular modeling studies.

Science.gov (United States)

La Regina, Giuseppe; D'Auria, Felicia Diodata; Tafi, Andrea; Piscitelli, Francesco; Olla, Stefania; Caporuscio, Fabiana; Nencioni, Lucia; Cirilli, Roberto; La Torre, Francesco; De Melo, Nadja Rodrigues; Kelly, Steven L; Lamb, David C; Artico, Marino; Botta, Maurizio; Palamara, Anna Teresa; Silvestri, Romano

2008-07-10

New 1-[(3-aryloxy-3-aryl)propyl]-1 H-imidazoles were synthesized and evaluated against Candida albicans and dermatophytes in order to develop structure-activity relationships (SARs). Against C. albicans the new imidazoles showed minimal inhibitory concentrations (MICs) comparable to those of ketoconazole, miconazole, and econazole, and were more potent than fluconazole. Several derivatives ( 10, 12, 14, 18- 20, 24, 28, 29, 30, and 34) turned out to be potent inhibitors of C. albicans strains resistant to fluconazole, with MIC values less than 10 microg/mL. Against dermatophytes strains, compounds 20, 25, and 33 (MIC imidazoles 10- 44 were rationalized with reasonable accuracy by a previously developed quantitative pharmacophore for antifungal agents.

Enhanced response of microbial fuel cell using sulfonated poly ether ether ketone membrane as a biochemical oxygen demand sensor

Energy Technology Data Exchange (ETDEWEB)

Ayyaru, Sivasankaran; Dharmalingam, Sangeetha, E-mail: sangeetha@annauniv.edu

2014-03-01

Graphical abstract: - Highlights: • Sulfonated poly ether ether ketone (SPEEK) membrane in SCMFC used to determine the BOD. • The biosensor produces a good linear relationship with the BOD concentration up to 650 ppm. • This sensing range was 62.5% higher than that of Nafion{sup ®}. • SPEEK exhibited one order lesser oxygen permeability than Nafion{sup ®}. • Nafion{sup ®} shows high anodic internal resistance (67 Ω) than the SPEEK (39 Ω). - Abstract: The present study is focused on the development of single chamber microbial fuel cell (SCMFC) using sulfonated poly ether ether ketone (SPEEK) membrane to determine the biochemical oxygen demand (BOD) matter present in artificial wastewater (AW). The biosensor produces a good linear relationship with the BOD concentration up to 650 ppm when using artificial wastewater. This sensing range was 62.5% higher than that of Nafion{sup ®}. The most serious problem in using MFC as a BOD sensor is the oxygen diffusion into the anode compartment, which consumes electrons in the anode compartment, thereby reducing the coulomb yield and reducing the electrical signal from the MFC. SPEEK exhibited one order lesser oxygen permeability than Nafion{sup ®}, resulting in low internal resistance and substrate loss, thus improving the sensing range of BOD. The system was further improved by making a double membrane electrode assembly (MEA) with an increased electrode surface area which provide high surface area for electrically active bacteria.

Synthesis and properties of imidazole-grafted hybrid inorganic-organic polymer membranes

International Nuclear Information System (INIS)

Li Siwen; Zhou Zhen; Liu Meilin; Li Wen; Ukai, Junzo; Hase, Kohei; Nakanishi, Masatsugu

2006-01-01

Imidazole rings were grafted on alkoxysilane with a simple nucleophilic substitute reaction to form hybrid inorganic-organic polymers with imidazole rings. Proton exchange membranes (PEM) based on these hybrid inorganic-organic polymers and H 3 PO 4 exhibit high proton conductivity and high thermal stability in an atmosphere of low relative humidity. The grafted imidazole rings improved the proton conductivity of the membranes in the high temperature range. It is found that the proton conductivities increase with H 3 PO 4 content and temperature, reaching 3.2 x 10 -3 S/cm at 110 deg. C in a dry atmosphere for a membrane with 1 mole of imidazole ring and 7 moles of H 3 PO 4 . The proton conductivity increases with relative humidity (RH) as well, reaching 4.3 x 10 -2 S/cm at 110 deg. C when the RH is increased to about 20%. Thermogravimetric analysis (TGA) indicates that these membranes are thermally stable up to 250 deg. C in dry air, implying that they have a good potential to be used as the membranes for high-temperature PEM fuel cells

Evolution of glycaemia in the blood of mice in the presence or absence of imidazole

International Nuclear Information System (INIS)

Polverelli, M.; Teoule, R.

1969-01-01

With respect to the radioprotective properties of the heterocyclic compound, imidazole, the authors followed the action of this product on blood sugar levels of mice X irradiated with a lethal dose. The main results of this work are: probably a hypo-glycemic action of the imidazole; an abolishment of the post-irradiation hyperglycemia by imidazole; an appreciably difference between male and female towards irradiation. (author) [fr

Fabrication and properties of poly(polyethylene glycol n-alkyl ether vinyl ether)s as polymeric phase change materials

International Nuclear Information System (INIS)

Pei, Dong-fang; Chen, Sai; Li, Shu-qin; Shi, Hai-feng; Li, Wei; Li, Xuan; Zhang, Xing-xiang

2016-01-01

A series of poly(polyethylene glycol n-alkyl ether vinyl ether)s (PC m E n VEs) with various lengths of alkyl chains and polyethylene glycol spacers as side chain (m = 16,18; n = 1,2) were synthesized via two steps. First, monomers-ethylene glycol hexadecyl ether vinyl ether (C 16 E 1 VE), ethylene glycol octadecyl ether vinyl ether (C 18 E 1 VE), diethylene glycol hexadecyl ether vinyl ether (C 16 E 2 VE) and diethylene glycol octadecyl ether vinyl ether (C 18 E 2 VE) were synthesized by a modified Williamson etherification. Then, four new types of phase change materials were successfully fabricated by a living cationic polymerization. Fourier transform infrared spectroscopy (FTIR), nuclear magnetic resonance spectroscopy (NMR), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC) and wide-angle X-ray diffraction (WAXD) were employed to characterize their composition, thermal properties and crystallization behavior. The results show that, the side chains of PC 16 E 1 VE, PC 18 E 1 VE, PC 16 E 2 VE and PC 18 E 2 VE are in a hexagonal lattice, and the onset temperatures for melting of PC 16 E 1 VE, PC 18 E 1 VE, PC 16 E 2 VE and PC 18 E 2 VE are 39.8 °C, 37.4 °C, 51.0 °C and 48.9 °C, the onset temperatures for crystallization are 36.7 °C, 35.2 °C, 47.4 °C and 46.3 °C, respectively. The enthalpy changes of PC 18 E 1 VE, PC 16 E 2 VE and PC 18 E 2 VE are higher than 100 J/g; on the contrary, it is 96 J/g for PC 16 E 1 VE. The enthalpy decrease is no more than 11% after 10 heating and cooling cycles. The 5 wt% mass loss temperatures of PC 18 E 1 VE, PC 16 E 2 VE and PC 18 E 2 VE are higher than 300 °C; on the contrary, it’s 283 °C for PC 16 E 1 VE. Using a weak polarity, flexible alkyl ether chain (-OCH 2 CH 2 O-) as a spacer to link the main chain and side chain is conducive to the crystallization of the alkyl side chain. These new phase change materials can be applied in heat storage, energy conservation, and environmental protection.

Contact angle measurements of a polyphenyl ether to 190 C on M-50 steel

Science.gov (United States)

Jones, W. R., Jr.

1981-01-01

Contact angle measurements were performed for a polyphenyl ether on steel in nitrogen. A tilting plate and a sessile drop apparatus were used. Surface tension was measured with a maximum bubble pressure apparatus. Critical surface energies of spreading were found to be 30.1 and 31.3 dynes/cm. It was concluded that the polyphenyl ether is inherently autophobic and will not spread on its own surface film.

Misconceptions about the ether

International Nuclear Information System (INIS)

Duffy, M.C.

1980-01-01

Several misconceptions concerning the ether concept and ether models are reviewed and clarified so that the relationship between modern ether theory and orthodox relativity may be better understood. The question of the ether's supposed superfluidity as a concept, and its status in modern physics remains to be answered. (author)

Phosphoric acid doped polysulfone membranes with aminopyridine pendant groups and imidazole cross-links

DEFF Research Database (Denmark)

Hink, Steffen; Elsøe, Katrine; Cleemann, Lars Nilausen

2015-01-01

Udel polysulfone based membranes with 4-aminopyridine pendant groups and cross-linking imidazole units are synthesized in a simple two step reaction. The ratio of 4-aminopyridine and imidazole is varied and the materials are extensively characterized. The average phosphoric acid uptake (in 85 wt%...

A Study of the Radioprotective Activity of the Imidazole Nucleus and Some of Its Derivatives; Etude de l'activite radioprotectrice du noyau imidazole et de quelquesuns de ses derives

Energy Technology Data Exchange (ETDEWEB)

Rinaldi, R; Bernard, Y [Commissariat a l' Energie Atomique. Centre d' Etudes Nucleaires, 38 - Grenoble (France)

1962-07-01

A study was made of the radioprotective properties of 8 compounds derived from imidazole. The effectiveness of the compounds was tested in mice exposed to a lethal dose of x radiation. Results showed that imidazole afforded protection to about 85% of the animals. Little protection was afforded by imidazoline and thione-imidazoline compounds in spite of the existence of a free sulfhydryl group in these compounds. (authors) [French] Cette etude a ete consacree a la determination des proprietes radioprotectrices eventuelles de huit composes derives de l'imidazole. Ces substances ont ete, soit synthetisees, soit obtenues dans le commerce. Leur efficacite a ete mise en evidence par le pourcentage de survie obtenu chez des souris soumises a une dose mortelle de rayons X. Les resultats ont fait apparaitre: - l'activite remarquable de l'imidazole qui protege environ 85 pour cent des animaux; - la protection faible ou nulle obtenue avec les imidazolinones et les thione-imidazolines, malgre la presence dans la molecule de ces dernieres d'un groupement sulfhydrile libre. (auteurs)

Thermodynamic study of phase transitions of imidazoles and 1-methylimidazoles

Energy Technology Data Exchange (ETDEWEB)

Almeida, Ana R.R.P., E-mail: ana.figueira@fc.up.pt [Centro de Investigacao em Quimica, Departamento de Quimica e Bioquimica, Faculdade de Ciencias da Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007 Porto (Portugal); Monte, Manuel J.S., E-mail: mjmonte@fc.up.pt [Centro de Investigacao em Quimica, Departamento de Quimica e Bioquimica, Faculdade de Ciencias da Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007 Porto (Portugal)

2012-01-15

Highlights: > Sublimation vapor pressures of imidazole, N-methylimidazole and four derivatives were measured. > Liquid vapor pressures were also measured for four of the compounds studied. > Vapor pressure results enabled determination of sublimation, vaporization, and fusion enthalpy. > From enthalpies of sublimation, enthalpies of intermolecular N-H...N bonds were estimated. - Abstract: The vapor pressures of imidazole, N-methylimidazole and of their dichloro and dicyano substituted compounds were measured at different temperatures, in the crystalline phase for two of them, and in crystalline and liquid phases for the other four. From these measurements, enthalpies and standard entropies of sublimation and vaporization were derived. The results allowed the determination of the triple points (p, T) coordinates of the four compounds studied in both condensed phases as well as the calculation of their enthalpy of fusion. Enthalpies and temperatures of fusion were also determined using d.s.c. The experimental results enabled the estimation of the enthalpy of the intermolecular N-H...N bonds in the imidazoles studied.

Synthesis and potential cytotoxic activity of some new benzoxazoles, imidazoles, benzimidazoles and tetrazoles.

Science.gov (United States)

Arulmurugan, Subramaniyan; Kavitha, Helen P

2013-06-01

2 The present work deals with the synthesis of some novel heterocyclic compounds such as benzoxazoles , 7, 13 and 19, imidazoles 3, 8, 14 and 20, benzimidazoles 4, 9, 15 and 21, and tetrazoles 10, 16, and 22. The synthesized compounds were characterized by IR, 1H NMR, mass spectrometry and elemental analysis. The compounds were evaluated for cytotoxicity against human cancer cell lines such as MCF-7 (breast cancer) and HT-29 (colon cancer) by the MTT assay method. Among the tested compounds, 4,4'-sulfonylbis(N-(2-(1H-benzo[d]imidazol- -2-yl)ethyl)aniline (9), N-bis(2-(benzo[d]oxazol-2-yl)-ethyl)- 6-phenyl-1,3,5-triazine-2,4-diamine (13), N-bis(2-(1H-benzo[ d]imidazol-2-yl)ethyl)-6-phenyl-1,3,5-triazine-2,4-diamine (15) and N-tris(2-1H-benzo[d]imidazol-2-yl)ethyl)- 1,3,5-triazine-2,4,6-triamine (21) showed potent cytotoxicity.

Investigation of cobalt porphyrin doped polymer membrane films for the optical sensing of imidazole and its derivatives

Directory of Open Access Journals (Sweden)

Yueyang Tan

2015-03-01

Full Text Available A cobalt(II porphyrin was successfully incorporated into polymer membranes for the optical sensing of imidazole and its derivatives. This research has led to a better understanding of the behavior of Co(II porphyrin in solution and in polymeric membranes. In aprotic dichloromethane (DCM, the Co(II tetraphenylporphyrin (CoTPP and Co(II octaethylporphyrin (CoOEP show a sensitive response to imidazole due to the strong ligation of the N-3 on the imidazole ring to the Co(II center, which induces an absorbance change to the Soret band. However, when doped in polymeric films, only the CoTPP exhibits moderate sensitivity towards aqueous imidazole, histamine and histidine. This weakened coordination ability of CoTPP towards imidazole in the polymer films may be due to the coordination of the plasticizer, the impurities from the THF and polymer matrix at the Co(II center. The selectivity of the polymer films towards imidazole over common anions is high. Lifetime of the cobalt(II porphyrin incorporated polymer film was relatively short.

Diethyl Ether Production Process with Various Catalyst Type

Directory of Open Access Journals (Sweden)

Widayat Widayat

2012-12-01

Full Text Available Several H-zeolite and HZSM-5 catalysts was preparated and their characters have also been investigated. H-zeolit Catalyst was preparated from Natural Zeolite that obtained from Malang District and Gunung Kidul District. Diethyl ether was produced by Ethanol with concentration of 95%. This research use fixed bed reactor that 1 gram of catalyst as bed catalyst, atmospheric pressure and temperature 140oC as the operating condition. Ethanol vapor from vaporization tank was driven by 200 ml/min Nitrogen stream. The responds in this research is liquid product concentration; diethyl ether, ethanol, methanol and water concentration. The results showed that the largest ethanol conversion was produced by the use of 56.44% HZSM-5 and the largest yield of diethyl ether diethyl was produced by the use of alumina and H-zeolite catalyst. The larger ratio between natural zeolite with HCl solvent will produce the larger surface area of catalyst and ethanol conversion. The largest ethanol conversion was produced at reactan ratio 1:20. [Keywords:  catalyst; ethanol conversion; dehydration process; yield of diethyl ether; natural zeolite].

Novel synthesis of 4(5)-monosubstituted imidazoles via cycloaddition of tosylmethyl isocyanide to aldimines

NARCIS (Netherlands)

ten Have, Ronald; Huisman, M; Meetsma, A; van Leusen, A.M.

1997-01-01

4(5)-Monosubstituted imidazoles (9) have been prepared via base-induced cycloaddition of tosylmethyl isocyanide (TosMIC) to N-(dimethylsulfamoyl)aldimines (2) or N-tosylaldimines (3). In the first case, N-(dimethylsulfamoyl)imidazoles 8 are the initial reaction products, from which the

Thermodynamic study of phase transitions of imidazoles and 1-methylimidazoles

International Nuclear Information System (INIS)

Almeida, Ana R.R.P.; Monte, Manuel J.S.

2012-01-01

Highlights: → Sublimation vapor pressures of imidazole, N-methylimidazole and four derivatives were measured. → Liquid vapor pressures were also measured for four of the compounds studied. → Vapor pressure results enabled determination of sublimation, vaporization, and fusion enthalpy. → From enthalpies of sublimation, enthalpies of intermolecular N-H...N bonds were estimated. - Abstract: The vapor pressures of imidazole, N-methylimidazole and of their dichloro and dicyano substituted compounds were measured at different temperatures, in the crystalline phase for two of them, and in crystalline and liquid phases for the other four. From these measurements, enthalpies and standard entropies of sublimation and vaporization were derived. The results allowed the determination of the triple points (p, T) coordinates of the four compounds studied in both condensed phases as well as the calculation of their enthalpy of fusion. Enthalpies and temperatures of fusion were also determined using d.s.c. The experimental results enabled the estimation of the enthalpy of the intermolecular N-H...N bonds in the imidazoles studied.

Imidazoles and benzimidazoles as tubulin-modulators for anti-cancer therapy.

Science.gov (United States)

Torres, Fernando C; García-Rubiño, M Eugenia; Lozano-López, César; Kawano, Daniel F; Eifler-Lima, Vera L; von Poser, Gilsane L; Campos, Joaquín M

2015-01-01

Imidazoles and benzimidazoles are privileged heterocyclic bioactive compounds used with success in the clinical practice of innumerous diseases. Although there are many advancements in cancer therapy, microtubules remain as one of the few macromolecular targets validated for planning active anti-cancer compounds, and the design of drugs that modulate microtubule dynamics in unknown sites of tubulin is one of the goals of the medicinal chemistry. The discussion of the role of new and commercially available imidazole and benzimidazole derivatives as tubulin modulators is scattered throughout scientific literature, and indicates that these compounds have a tubulin modulation mechanism different from that of tubulin modulators clinically available, such as paclitaxel, docetaxel, vincristine and vinblastine. In fact, recent literature indicates that these derivatives inhibit microtubule formation binding to the colchicine site, present good pharmacokinetic properties and are capable of overcoming multidrug resistance in many cell lines. The understanding of the mechanisms involved in the imidazoles/benzimidazoles modulation of microtubule dynamics is very important to develop new strategies to overcome the resistance to anti-cancer drugs and to discover new biomarkers and targets for cancer chemotherapy.

Reproductive toxicity of the glycol ethers.

Science.gov (United States)

Hardin, B D

1983-06-01

The glycol ethers are an important and widely used class of solvents. Recent studies have demonstrated that ethylene glycol monomethyl ether (EGME), ethylene glycol dimethyl ether (EGdiME), ethylene glycol monoethyl ether (EGEE), and ethylene glycol monoethyl ether acetate (EGEEA) are teratogenic. Other studies have demonstrated that testicular atrophy or infertility follow treatment of males with EGME, ethylene glycol monomethyl ether acetate (EGMEA), EGEE, EGEEA, diethylene glycol dimethyl ether (diEGdiME), and diethylene glycol monoethyl ether (diEGEE). Experimental data are reviewed and structure-activity relationships are speculated upon.

15N Hyperpolarization of Imidazole-15N2 for Magnetic Resonance pH Sensing via SABRE-SHEATH.

Science.gov (United States)

Shchepin, Roman V; Barskiy, Danila A; Coffey, Aaron M; Theis, Thomas; Shi, Fan; Warren, Warren S; Goodson, Boyd M; Chekmenev, Eduard Y

2016-06-24

15 N nuclear spins of imidazole- 15 N 2 were hyperpolarized using NMR signal amplification by reversible exchange in shield enables alignment transfer to heteronuclei (SABRE-SHEATH). A 15 N NMR signal enhancement of ∼2000-fold at 9.4 T is reported using parahydrogen gas (∼50% para-) and ∼0.1 M imidazole- 15 N 2 in methanol:aqueous buffer (∼1:1). Proton binding to a 15 N site of imidazole occurs at physiological pH (p K a ∼ 7.0), and the binding event changes the 15 N isotropic chemical shift by ∼30 ppm. These properties are ideal for in vivo pH sensing. Additionally, imidazoles have low toxicity and are readily incorporated into a wide range of biomolecules. 15 N-Imidazole SABRE-SHEATH hyperpolarization potentially enables pH sensing on scales ranging from peptide and protein molecules to living organisms.

Theoretical prediction of the mechanical properties of zeolitic imidazolate frameworks (ZIFs)

KAUST Repository

Zheng, Bin; Zhu, Yihan; Fu, Fang; Wang, Lian Li; Wang, Jinlei; Du, Huiling

2017-01-01

A good resistance against mechanical stress is essential for the utilization of metal-organic frameworks (MOFs) in practical applications such as gas sorption, separation, catalysis or energy conversion. Here, we report on the successful modification of the mechanical properties of zeolitic imidazolate frameworks (ZIFs) achieved through a substitution of the terminal group. The mechanical modulus of SALEM-2 was found to significantly improve when the -H groups at position 2 of the imidazole linkers were replaced with electron withdrawing groups (-CHO, -Cl, or -Br). The charge distribution and electron density were analyzed to reveal the mechanism behind the observed variation of the elastic stiffness. Furthermore, ZIF-I with a -I group at position 2 of the imidazole linkers was predicted to exhibit an excellent mechanical strength in our study and then prepared experimentally. The results indicate that an inconspicuous change of the structure of ZIFs, i.e., additional groups strengthening the ZnN4 tetrahedron, will lead to a stiffer framework.

Theoretical prediction of the mechanical properties of zeolitic imidazolate frameworks (ZIFs)

KAUST Repository

Zheng, Bin

2017-08-25

A good resistance against mechanical stress is essential for the utilization of metal-organic frameworks (MOFs) in practical applications such as gas sorption, separation, catalysis or energy conversion. Here, we report on the successful modification of the mechanical properties of zeolitic imidazolate frameworks (ZIFs) achieved through a substitution of the terminal group. The mechanical modulus of SALEM-2 was found to significantly improve when the -H groups at position 2 of the imidazole linkers were replaced with electron withdrawing groups (-CHO, -Cl, or -Br). The charge distribution and electron density were analyzed to reveal the mechanism behind the observed variation of the elastic stiffness. Furthermore, ZIF-I with a -I group at position 2 of the imidazole linkers was predicted to exhibit an excellent mechanical strength in our study and then prepared experimentally. The results indicate that an inconspicuous change of the structure of ZIFs, i.e., additional groups strengthening the ZnN4 tetrahedron, will lead to a stiffer framework.

Extreme Flexibility in a Zeolitic Imidazolate Framework

DEFF Research Database (Denmark)

Wharmby, M.T.; Henke, S.; Bennett, T.D.

2015-01-01

Desolvated zeolitic imidazolate framework ZIF-4(Zn) undergoes a discontinuous porous to dense phase transition on cooling through 140 K, with a 23% contraction in unit cell volume. The structure of the non-porous, low temperature phase was determined from synchrotron X-ray powder diffraction data...

A Novel Tetrasubstituted Imidazole as a Prototype for the Development of Anti-inflammatory Drugs.

Science.gov (United States)

Nascimento, Marcus Vinicius P S; Munhoz, Antonio C M; Theindl, Lais C; Mohr, Eduarda Talita B; Saleh, Najla; Parisotto, Eduardo B; Rossa, Thaís A; Zamoner, Ariane; Creczynski-Pasa, Tania B; Filippin-Monteiro, Fabíola B; Sá, Marcus M; Dalmarco, Eduardo Monguilhott

2018-04-14

Although inflammation is a biological phenomenon that exists to protect the host against infections and/or related problems, its unceasing activation results in the aggravation of several medical conditions. Imidazoles, whether natural or synthetic, are molecules related to a broad spectrum of biological effects, including anti-inflammatory properties. In this study, we screened eight novel small molecules of the imidazole class synthesized by our research group for their in vitro anti-inflammatory activity. The effect of the selected molecules was confirmed in an in vivo inflammatory model. We also analyzed whether the effects were caused by inhibition of nuclear factor kappa B (NF-κB) transcription factor transmigration. Of the eight imidazoles tested, methyl 1-allyl-2-(4-fluorophenyl)-5-phenyl-1H-imidazole-4-acetate (8) inhibited nitric oxide metabolites and pro-inflammatory cytokine (TNF-α, IL-6, and IL-1β) secretion in J774 macrophages stimulated with LPS. It also attenuated leukocyte migration and exudate formation in the pleural cavity of mice challenged with carrageenan. Furthermore, imidazole 8 reverted the oxidative stress pattern triggered by carrageenan in the pleural cavity by diminishing myeloperoxidase, superoxide dismutase, catalase, and glutathione S-transferase activities and reducing the production of nitric oxide metabolites and thiobarbituric acid-reactive substances. Finally, these effects can be attributed, at least in part, to the ability of this compound to prevent NF-κB transmigration. In this context, our results demonstrate that imidazole 8 has promising potential as a prototype for the development of a new anti-inflammatory drug to treat inflammatory conditions in which NF-κB and oxidative stress play a prominent role. Graphical Abstract ᅟ.

Nonenzymatic electrochemical sensor based on imidazole-functionalized graphene oxide for progesterone detection.

Science.gov (United States)

Gevaerd, Ava; Blaskievicz, Sirlon F; Zarbin, Aldo J G; Orth, Elisa S; Bergamini, Márcio F; Marcolino-Junior, Luiz H

2018-07-30

The modification of electrode surfaces has been the target of study for many researchers in order to improve the analytical performance of electrochemical sensors. Herein, the use of an imidazole-functionalized graphene oxide (GO-IMZ) as an artificial enzymatic active site for voltammetric determination of progesterone (P4) is described for the first time. The morphology and electrochemical performance of electrode modified with GO-IMZ were characterized by scanning electron microscopy and cyclic voltammetry, respectively. Under optimized conditions, the proposed sensor showed a synergistic effect of the GO sheets and the imidazole groups anchored on its backbone, which promoted a significant enhancement on electrochemical reduction of P4. Figures of merits such as linear dynamic response for P4 concentration ranging from 0.22 to 14.0 μmol L -1 , limit of detection of 68 nmol L -1 and limit of quantification and 210 nmol L -1 were found. In addition, presented a higher sensitivity, 426 nA L µmol -1 , when compared to the unmodified electrode. Overall, the proposed device showed to be a promising platform for a simple, rapid, and direct analysis of progesterone. Copyright © 2018 Elsevier B.V. All rights reserved.

A Submarine Journey: The Pyrrole-Imidazole Alkaloids

Directory of Open Access Journals (Sweden)

Alessandra Scolaro

2009-11-01

Full Text Available In his most celebrated tale “The Picture of Dorian Gray”, Oscar Wilde stated that “those who go beneath the surface do so at their peril”. This sentence could be a prophetical warning for the practitioner who voluntarily challenges himself with trying to synthesize marine sponge-deriving pyrrole-imidazole alkaloids. This now nearly triple-digit membered community has been growing exponentially in the last 20 years, both in terms of new representatives and topological complexity − from simple, achiral oroidin to the breathtaking 12-ring stylissadines A and B, each possessing 16 stereocenters. While the biosynthesis and the role in the sponge economy of most of these alkaloids still lies in the realm of speculations, significant biological activities for some of them have clearly emerged. This review will account for the progress in achieving the total synthesis of the more biologically enticing members of this class of natural products.

L-Arginine modified multi-walled carbon nanotube/sulfonated poly(ether ether ketone) nanocomposite films for biomedical applications

Science.gov (United States)

Kaya, Hatice; Bulut, Osman; Kamali, Ali Reza; Ege, Duygu

2018-06-01

Favorable implant-tissue interactions are crucial to achieve successful osseointegration of the implants. Poly(ether ether ketone) (PEEK) is an interesting alternative to titanium in orthopedics because of its low cost, high biocompatibility and comparable mechanical properties with cancellous bone. Despite these advantages; however, the untreated surface of PEEK fails to osseointegrate due to its bioinert and hydrophobic behavior. This paper deals with the surface modification of PEEK with a novel method. For this, PEEK was first treated with concentrated sulfuric acid to prepare sulfonated PEEK (SPEEK) films using a solvent casting method. Then, 1 and 2 wt% multi-walled carbon nanotube was incorporated into SPEEK to form nanocomposite films. The samples were characterized with Fourier Transform Infrared Spectroscopy (FTIR) and Scanning Electron Microscopy. After successful preparation of the nanocomposite films, L-arginine was covalently conjugated on the nanocomposite films to further improve their surface properties. Subsequently, the samples were characterized using X-ray Photoemission Spectroscopy (XPS), water contact angle measurements and Atomic Force Microscopy (AFM) and Dynamic Mechanical Thermal Analysis (DMTA). Finally, cell culture studies were carried out by using Alamar Blue assay to evaluate the biocompatibility of the films. The results obtained indicate the successful preparation of L-arginine-conjugated MWCNT/SPEEK nanocomposite films. The modified surface shows potential to improve implants' mechanical and biological performances.

Studies on the π-π stacking features of imidazole units present in a series of 5-amino-1-alkylimidazole-4-carboxamides

Science.gov (United States)

Ray, Sibdas; Das, Aniruddha

2015-06-01

Reaction of 2-ethoxymethyleneamino-2-cyanoacetamide with primary alkyl amines in acetonitrile solvent affords 1-substituted-5-aminoimidazole-4-carboxamides. Single crystal X-ray diffraction studies of these imidazole compounds show that there are both anti-parallel and syn-parallel π-π stackings between two imidazole units in parallel-displaced (PD) conformations and the distance between two π-π stacked imidazole units depends mainly on the anti/ syn-parallel nature and to some extent on the alkyl group attached to N-1 of imidazole; molecules with anti-parallel PD-stacking arrangements of the imidazole units have got vertical π-π stacking distance short enough to impart stabilization whereas the imidazole unit having syn-parallel stacking arrangement have got much larger π-π stacking distances. DFT studies on a pair of anti-parallel imidazole units of such an AICA lead to curves for 'π-π stacking stabilization energy vs. π-π stacking distance' which have got similarity with the 'Morse potential energy diagram for a diatomic molecule' and this affords to find out a minimum π-π stacking distance corresponding to the maximum stacking stabilization energy between the pair of imidazole units. On the other hand, a DFT calculation based curve for 'π-π stacking stabilization energy vs. π-π stacking distance' of a pair of syn-parallel imidazole units is shown to have an exponential nature.

Cytokinin oxidase from Phaseolus vulgaris callus tissues. Enhanced in vitro activity of the enzyme in the presence of copper-imidazole complexes

International Nuclear Information System (INIS)

Chatfield, J.M.; Armstrong, D.J.

1987-01-01

The effects of metal ions on cytokinin oxidase activity extracted from callus tissues of Phaseolus vulgaris L. cv Great Northern have been examined using an assay based on the oxidation of N 6 -(Δ 2 -isopentenyl)-adenine-2,8- 3 H (i 6 Ade) to adenine (Ade). The addition of cupric ions to reaction mixtures containing imidazole buffer markedly enhanced cytokinin oxidase activity. In the presence of optimal concentrations of copper and imidazole, cytokinin oxidase activity was stimulated more than 20-fold. The effect was enzyme dependent, specific for copper, and observed only in the presence of imidazole. The substrate specificity of the copper-imidazole enhanced reaction, as judged by substrate competition tests, was the same as that observed in the absence of copper and imidazole. Similarly, in tests involving DEAE-cellulose chromatography, elution profiles of cytokinin oxidase activity determined using a copper-imidazole enhanced assay were identical to those obtained using an assay without copper and imidazole. On the basis of these results, the addition of copper and imidazole to reaction mixtures used to assay for cytokinin oxidase activity is judged to provide a reliable and specific assay of greatly enhanced sensitivity for the enzyme. The mechanism by which copper and imidazole enhance cytokinin oxidase activity is not certain, but the reaction catalyzed by the enzyme was not inhibited by anaerobic conditions when these reagents were present. This observation suggests that copper-imidazole complexes are substituting for oxygen in the reaction mechanism by which cytokinin oxidase effects cleavage of the N 6 -side chain of i 6 Ade

Effect of chemical etching on the Cu/Ni metallization of poly (ether ether ketone)/carbon fiber composites

International Nuclear Information System (INIS)

Di Lizhi; Liu Bin; Song Jianjing; Shan Dan; Yang Dean

2011-01-01

Poly(ether ether ketone)/carbon fiber composites (PEEK/Cf) were chemical etched by Cr 2 O 3 /H 2 SO 4 solution, electroless plated with copper and then electroplated with nickel. The effects of chemical etching time and temperature on the adhesive strength between PEEK/Cf and Cu/Ni layers were studied by thermal shock method. The electrical resistance of some samples was measured. X-ray photoelectron spectroscopy (XPS) was used to analyze the surface composition and functional groups. Scanning electron microscopy (SEM) was performed to observe the surface morphology of the composite, the chemical etched sample, the plated sample and the peeled metal layer. The results indicated that C=O bond increased after chemical etching. With the increasing of etching temperature and time, more and more cracks and partially exposed carbon fibers appeared at the surface of PEEK/Cf composites, and the adhesive strength increased consequently. When the composites were etched at 60 deg. C for 25 min and at 70-80 deg. C for more than 15 min, the Cu/Ni metallization layer could withstand four thermal shock cycles without bubbling, and the electrical resistivity of the metal layer of these samples increased with the increasing of etching temperature and time.

Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles

Directory of Open Access Journals (Sweden)

Mayank Aggarwal

2014-03-01

Full Text Available Human carbonic anhydrases (CAs are zinc metalloenzymes that catalyze the hydration and dehydration of CO2 and HCO3−, respectively. The reaction follows a ping-pong mechanism, in which the rate-limiting step is the transfer of a proton from the zinc-bound solvent (OH−/H2O in/out of the active site via His64, which is widely believed to be the proton-shuttling residue. The decreased catalytic activity (∼20-fold lower with respect to the wild type of a variant of CA II in which His64 is replaced with Ala (H64A CA II can be enhanced by exogenous proton donors/acceptors, usually derivatives of imidazoles and pyridines, to almost the wild-type level. X-ray crystal structures of H64A CA II in complex with four imidazole derivatives (imidazole, 1-methylimidazole, 2-methylimidazole and 4-methylimidazole have been determined and reveal multiple binding sites. Two of these imidazole binding sites have been identified that mimic the positions of the `in' and `out' rotamers of His64 in wild-type CA II, while another directly inhibits catalysis by displacing the zinc-bound solvent. The data presented here not only corroborate the importance of the imidazole side chain of His64 in proton transfer during CA catalysis, but also provide a complete structural understanding of the mechanism by which imidazoles enhance (and inhibit when used at higher concentrations the activity of H64A CA II.

Exogenous ether lipids predominantly target mitochondria.

Directory of Open Access Journals (Sweden)

Lars Kuerschner

Full Text Available Ether lipids are ubiquitous constituents of cellular membranes with no discrete cell biological function assigned yet. Using fluorescent polyene-ether lipids we analyzed their intracellular distribution in living cells by microscopy. Mitochondria and the endoplasmic reticulum accumulated high amounts of ether-phosphatidylcholine and ether-phosphatidylethanolamine. Both lipids were specifically labeled using the corresponding lyso-ether lipids, which we established as supreme precursors for lipid tagging. Polyfosine, a fluorescent analogue of the anti-neoplastic ether lipid edelfosine, accumulated to mitochondria and induced morphological changes and cellular apoptosis. These data indicate that edelfosine could exert its pro-apoptotic power by targeting and damaging mitochondria and thereby inducing cellular apoptosis. In general, this study implies an important role of mitochondria in ether lipid metabolism and intracellular ether lipid trafficking.

Ether formulations of relativity

International Nuclear Information System (INIS)

Duffy, M.C.

1980-01-01

Contemporary ether theories are surveyed and criticised, especially those formally identical to orthodox Relativity. The historical development of Relativity, Special and General, in terms of an ether, is briefly indicated. Classical interpretations of Generalized Relativity using ether are compared to Euclidean formulations using a background space. The history of a sub-group of theories, formulating a 'new' Relativity involving modified transforms, is outlined. According to the theory with which they agree, recent supposed detections of drift are classified and criticised. Cosmological evidence suggesting an ether is mentioned. Only ether theories formally identical to Relativity have been published in depth. They stand criticised as being contrary to the positivist spirit. The history of mechanical analogues is traced, from Hartley's representing gravitating matter as spherical standing waves, to recent suggestions that vortex-sponge might model electromagnetic, quantum, uncertainty and faster-than-light phenomena. Contemporary theories are particular physical theories, themselves 'second interpretations' of a primary mathematical model. Mechanical analogues are auxiliary, not necessary, to other theory, disclosing relationships between classical and non-classical descriptions of assemblies charging state. The ether-relativity polemic, part of a broader dispute about relativity, is founded on mistaken conceptions of the roles of mathematical and physical models, mechanical analogues; and a distored view of history, which indicates that ether theories have become relativistic. (author)

Comparative study between phenol and imidazole derivatives in radiolabeling of some steroid hormones

International Nuclear Information System (INIS)

Sallam, Kh.M.

2010-01-01

A phenol or imidazole ring is rarely present in steroid hormones, So, the molecule of steroid hormone requires chemical modification by addition of an iodinable residue like phenol or imedazole. So that the comparative study between phenol derivatives, include tyrosine methyl ester (TME) and tyramine, and imidazole derivatives, like histamine and histedine methyl ester (HME), for radiolabeling of some steroid hormones include estradiol and testosterone is the aim of the present study. The conjugation step was carried using mixed anhydride method and followed by radioiodination using iodogen as an oxidizing agent. Purification step was carried out using high performance liquid chromatography (HPLC). Optimization and validation of the tracer were carried out. Immunoreactivity of the all obtained tracers was check by using specific polyclonal antibodies. The results indicated that imidazols derivatives are more suitable from immunoreactivity view and storage period.

Screening for Methylated Poly(⌊-histidine with Various Dimethylimidazolium/Methylimidazole/Imidazole Contents as DNA Carrier

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Shoichiro Asayama

2015-08-01

Full Text Available Methylated poly(l-histidine (PLH-Me, our original polypeptide, has controlled the contents of dimethylimidazolium, τ/π-methylimidazole and imidazole groups for efficient gene delivery. The screening for the PLH-Me as DNA carrier has been carried out by use of the PLH with 25 mol% (τ-methyl, 16 mol%; π-methyl, 17 mol%; deprotonated imidazole, 41 mol%, 68 mol% (τ-methyl, 16 mol%; π-methyl, 8 mol%; deprotonated imidazole, 8 mol% and 87 mol% (τ-methyl, 7 mol%; π-methyl, 4 mol%; deprotonated imidazole, 2 mol% dimethylimidazolium groups, that is, PLH-Me(25, PLH-Me(68 and PLH-Me(87, respectively. The screening of the chemical structure of PLH-Me has been carried out for DNA carrier properties, which are the stability of its DNA polyion complexes and gene expression. The DNA complexes with the 25 mol% and 68 mol% dimethylated PLH-Me possessed almost same ability to retain DNA, as compared with the 87 mol% dimethylated PLH-Me, which was examined by competitive exchange with dextran sulfate. From the gene transfection experiment against HepG2 cells, human hepatoma cell line, the PLH-Me(25/DNA complex was revealed to mediate highest gene expression. These results suggest that the dimethyl-imidazolium/methylimidazole/imidazole balance of the PLH-Me is important for DNA carrier design.

Low-Temperature Oxidation of Dimethyl Ether to Polyoxymethylene Dimethyl Ethers over CNT-Supported Rhenium Catalyst

Directory of Open Access Journals (Sweden)

Qingde Zhang

2016-03-01

Full Text Available Due to its excellent conductivity, good thermal stability and large specific surface area, carbon nano-tubes (CNTs were selected as support to prepare a Re-based catalyst for dimethyl ether (DME direct oxidation to polyoxymethylene dimethyl ethers (DMMx. The catalyst performance was tested in a continuous flow type fixed-bed reactor. H3PW12O40 (PW12 was used to modify Re/CNTs to improve its activity and selectivity. The effects of PW12 content, reaction temperature, gas hourly space velocity (GHSV and reaction time on DME oxidation to DMMx were investigated. The results showed that modification of CNT-supported Re with 30% PW12 significantly increased the selectivity of DMM and DMM2 up to 59.0% from 6.6% with a DME conversion of 8.9%; besides that, there was no COx production observed in the reaction under the optimum conditions of 513 K and 1800 h−1. The techniques of XRD, BET, NH3-TPD, H2-TPR, XPS, TEM and SEM were used to characterize the structure, surface properties and morphology of the catalysts. The optimum amount of weak acid sites and redox sites promotes the synthesis of DMM and DMM2 from DME direct oxidation.

Synthesis of 1-(2,3-dihydroxypropyl)-2-nitro-1H-imidazole-2-14C and N-(2-hydroxyethyl)-2-(2-nitro-1H-imidazol-1-YL-2-14C)acetamide

International Nuclear Information System (INIS)

Fong, M.T.; Leaffer, M.A.

1986-01-01

We have prepared the 14 C-labeled analogs of NSC 261036, 1-(2,3-dihydroxypropyl)-2-nitro-1H-imidazole-2- 14 C, and NSC 301467, N-(2-hydroxyethyl)-2-(2-nitro-1H-imidazol-1-yl-2- 14 C) acetamide, for pharmacological, drug distribution, and mechanisms of action studies. The latter is an analog designed for lower toxicity and improved properties. The former is a metabolite of, and appears to be less toxic than, misonidazole. (author)

Synthesis of backbone P-functionalized imidazol-2-ylidene complexes: en route to novel functional ionic liquids.

Science.gov (United States)

Majhi, Paresh Kumar; Sauerbrey, Susanne; Schnakenburg, Gregor; Arduengo, Anthony J; Streubel, Rainer

2012-10-01

1-Alkyl-3-methyl-4-diphenylphosphoryl-imidazolium hydrogensulfate (4a,b) (a: R(1) = R(2) = Me; b: R(1) = (i)Pr, R(2) = Me) and 1-alkyl-3-methyl-4,5-bis(diphenylphosphoryl)imidazolium hydrogensulfate (6a,c) (c: R(1) = (n)Bu, R(2) = Me) were obtained selectively and in good yields by oxidative desulfurization of 1-alkyl-3-methyl-4-diphenylphosphino-imidazole-2-thiones (2a,b) and 1-n-butyl-3-methyl-4,5-bis(diphenylphosphoryl)imidazole-2-thione (3c) or 1,3-dimethyl-4-diphenylthiophosphoryl-5-diphenylphosphino-imidazole-2-thione (5a), respectively, with hydrogen peroxide. Synthesis of phosphoryl functionalized imidazol-2-ylidene complexes of group VI metal pentacarbonyls (7a-9a) and (10b-12b) and bis(phosphoryl) functionalized imidazol-2-ylidene complexes of group VI metal pentacarbonyls (13c-15c) and (16a) with low steric demand (methyl, isopropyl, n-butyl) at both N-centers was achieved through deprotonation of imidazolium salts (4a,b) and (6a,c), respectively,-having HSO(4)(-) as a counterion-with potassium tert-butoxide followed by rapid addition of metal pentacarbonyl acetonitrile complexes [M(CO)(5)(CH(3)CN)] (M = Cr, Mo, W). The products were unambiguously characterized by elemental analyses, spectroscopic and spectrometric methods, and in addition, by single-crystal X-ray structure studies in the cases of 4b, 8a, 15c, and 16a; the latter two reveal imidazole ring bond distance alternation in contrast to 8a.

Imidazole derivatives as angiotensin II AT1 receptor blockers: Benchmarks, drug-like calculations and quantitative structure-activity relationships modeling

Science.gov (United States)

Alloui, Mebarka; Belaidi, Salah; Othmani, Hasna; Jaidane, Nejm-Eddine; Hochlaf, Majdi

2018-03-01

We performed benchmark studies on the molecular geometry, electron properties and vibrational analysis of imidazole using semi-empirical, density functional theory and post Hartree-Fock methods. These studies validated the use of AM1 for the treatment of larger systems. Then, we treated the structural, physical and chemical relationships for a series of imidazole derivatives acting as angiotensin II AT1 receptor blockers using AM1. QSAR studies were done for these imidazole derivatives using a combination of various physicochemical descriptors. A multiple linear regression procedure was used to design the relationships between molecular descriptor and the activity of imidazole derivatives. Results validate the derived QSAR model.

Benzimidazole and imidazole hexachlorocerates

Energy Technology Data Exchange (ETDEWEB)

Bayanov, A P; Burylev, B P; Temerdashev, Z A; Gusev, V I [Kubanskij Gosudarstvennyj Univ., Krasnodar (USSR)

1983-02-01

The process of hexachlorocerium acid with benzimidazole and imidazole interaction and the reaction products are investigated. The values of thermodynamic characteristics of the hexachlorocerium acid reaction with benzimidazole are equal: ..delta..Gsub(298K)=-16.5+-0.2 kJ/mol, ..delta..Hsub(298K)=-63.6+-0.8 kJ/mol, ..delta..Ssub(298K)=-157+-5 J/mol degrees. By the IR spectroscopy and radiography method the individuality of separated compounds has been found. The thermal stability of compounds is determined. The temperature dependence of splitting off chlorine atom from benzimidazole hexachlorocerate on pressure is investigated. Thermodynamic characteristics and activation energies of the process are calculated.

Benzimidazole and imidazole hexachlorocerates

International Nuclear Information System (INIS)

Bayanov, A.P.; Burylev, B.P.; Temerdashev, Z.A.; Gusev, V.I.

1983-01-01

The process of hexachlorocerium acid with benzimidazole and imidazole interaction and the reaction products are investigated. The values of thermodynamic characteristics of the hexachlorocerium acid reaction with benzimidazole are equal: ΔGsub(298K)=-16.5+-0.2 kJ/mol, ΔHsub(298K)=-63.6+-0.8 kJ/mol, ΔSsub(298K)=-157+-5 J/mol degrees. By the IR spectroscopy and radiography method the individuality of separated compounds has been found. The thermal stability of compounds is determined. The temperature de-- pendence of splitting off chlorine atom from benzimidazole hexachlorocerate on pressure is investigated. Thermodynamic characteristics and activation energies of the process are calculated

Preparation of an aminopropyl imidazole-modified silica gel as a sorbent for solid-phase extraction of carboxylic acid compounds and polycyclic aromatic hydrocarbons.

Science.gov (United States)

Wang, Na; Guo, Yong; Wang, Licheng; Liang, Xiaojing; Liu, Shujuan; Jiang, Shengxiang

2014-05-21

In this paper, a kind of aminopropyl imidazole-modified silica sorbent was synthesized and used as a solid-phase extraction (SPE) sorbent for the determination of carboxylic acid compounds and polycyclic aromatic hydrocarbons (PAHs). The resultant aminopropyl imidazole-modified silica sorbent was characterized by Fourier transform infrared spectroscopy (FT-IR) and elemental analysis (EA) to ensure the successful binding of aminopropyl imidazole on the surface of silica gel. Then the aminopropyl imidazole-modified silica sorbent served as a SPE sorbent for the enrichment of carboxylic acid compounds and PAHs. The new sorbent exhibited high extraction efficiency towards the tested compounds and the results show that such a sorbent can offer multiple intermolecular interactions: electrostatic, π-π, and hydrophobic interactions. Several parameters affecting the extraction recovery, such as the pH of sample solution, the pH of eluent, the solubility of eluent, the volume of eluent, and sample loading, were also investigated. Under the optimized conditions, the proposed method was applied to the analysis of four carboxylic acid compounds and four PAHs in environmental water samples. Good linearities were obtained for all the tested compounds with R(2) larger than 0.9903. The limits of detection were found to be in the range of 0.0065-0.5 μg L(-1). The recovery values of spiked river water samples were from 63.2% to 112.3% with relative standard deviations (RSDs) less than 10.1% (n = 4).

Ab initio study of the EFG at the N sites in imidazole

Energy Technology Data Exchange (ETDEWEB)

Brown Goncalves, Marcos, E-mail: browngon@if.usp.br [Universidade de Sao Paulo, Instituto de Fisica (Brazil); Di Felice, R. [National Center on Nanostructures and Biosystems at Surfaces (S3) of INFM-CNR (Italy); Poleshchuk, O. Kh. [Tomsk State Pedagogical University (Russian Federation); Petrilli, H. M. [Universidade de Sao Paulo, Instituto de Fisica (Brazil)

2008-01-15

We study the nuclear quadrupole interaction at the nitrogen sites in the molecular and crystalline phases of the imidazole compound. We use PAW which is a state-of-the-art method to calculate the electronic structure and electric field gradient at the nucleus in the framework of the density functional theory. The quadrupole frequencies at both imino and amino N sites are in excellent agreement with measurements. This is the first time that the electric field gradient at crystalline imidazole is correctly treated by an ab initio theoretical approach.

Electronic structure tautomerism, and mechanism of H-D exchange in imidazole aqueous solutions

International Nuclear Information System (INIS)

Borisov, Yu.A.; Vorob'eva, N.P.; Abronin, I.A.; Kolomiets, A.F.

1988-01-01

The imidazole electronic structure in a gaseous phase is studied taking into account the influence of solvation effects in aqueous solutions. Possible mechanisms of tautomeric transformations and H-D exchange reactions with water molecules are discussed. Using the quantum chemistry methods, it is shown that the intramolecular mechanism of imidazole isomerization in the gaseous phase and the aqueous solution is unprofitable, and the intermolecular mechanism can proceed through the stage of protonated and carbene form formation

Diethyl Ether Production Process with Various Catalyst Type

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Widayat

2013-01-01

Full Text Available Several H-zeolite and HZSM-5 catalysts was preparated and their characters have also been investigated. H-zeolit Catalyst was preparated from Natural Zeolite that obtained from Malang District and Gunung Kidul District. Diethyl ether was produced by Ethanol with concentration of 95%. This research use fixed bed reactor that 1 gram of catalyst as bed catalyst, atmospheric pressure and temperature 140oC as the operating condition. Ethanol vapor from vaporization tank was driven by 200 ml/min Nitrogen stream. The responds in this research is liquid product concentration; diethyl ether, ethanol, methanol and water concentration. The results showed that the largest ethanol conversion was produced by the use of 56.44% HZSM-5 and the largest yield of diethyl ether diethyl was produced by the use of alumina and H-zeolite catalyst. The larger ratio between natural zeolite with HCl solvent will produce the larger surface area of catalyst and ethanol conversion. The largest ethanol conversion was produced at reactan ratio 1:20.

Ether the nothing that connects everything

CERN Document Server

Milutis, Joe

2006-01-01

In Ether, the histories of the unseen merge with discussions of the technology of electromagnetism. Navigating more than three hundred years of the ether''s cultural and artistic history, Joe Milutis reveals its continuous reinvention and tangible impact without ever losing sight of its ephemeral, elusive nature. The true meaning of ether, Milutis suggests, may be that it can never be fully grasped.

Usage of the word 'ether'

International Nuclear Information System (INIS)

Duffy, M.C.

1980-01-01

Confusion has been caused by scientists using the one word 'ether' to classify models differing from each other in important respects. Major roles assigned to the word are examined, and the nature of modern ether theories surveyed. The part played by the several meanings attached to the word, in the ether concept, is outlined. (author)

Thermodynamics of organic mixtures containing amines. X. Phase equilibria for binary systems formed by imidazoles and hydrocarbons: Experimental data and modelling using DISQUAC

Energy Technology Data Exchange (ETDEWEB)

Domanska, Urszula; Zawadzki, Maciej [Physical Chemistry Division, Faculty of Chemistry, Warsaw University of Technology, 00-664 Warsaw (Poland); Gonzalez, Juan Antonio, E-mail: jagl@termo.uva.e [G.E.T.E.F., Grupo Especializado en Termodinamica de Equilibrio entre Fases, Departamento de Fisica Aplicada, Facultad de Ciencias, Universidad de Valladolid, E-47071, Valladolid (Spain)

2010-04-15

(Solid + liquid) equilibrium (SLE) temperatures have been determined using a dynamic method for the systems (1H-imidazole, + benzene, + toluene, + hexane, or + cyclohexane; 1-methylimidazole + benzene, or + toluene, 2-methyl-1H-imidazole + benzene, + toluene, or + cyclohexane, and benzimidazole + benzene). In addition (liquid + liquid) equilibrium (LLE) temperatures have been obtained using a cloud point method for (1H-imidazole, + hexane, or + cyclohexane; 1-methylimidazole + toluene, and 2-methyl-1H-imidazole + cyclohexane). The measured systems show positive deviations from the Raoult's law, due to strong dipolar interactions between amine molecules related to the high dipole moment of imidazoles. On the other hand, DISQUAC interaction parameters for the contacts present in these solutions and for the amine/hydroxyl contacts in (1H-imidazole + 1-alkanol) mixtures have been determined. The model correctly represents the available data for the examined systems. Deviations between experimental and calculated SLE temperatures are similar to those obtained using the Wilson or NRTL equations, or the UNIQUAC association solution model. The quasichemical interaction parameters are the same for mixtures containing 1H-imidazole, 1-methylimidazole, or 2-methyl-1H-imidazole and hydrocarbons. This may be interpreted assuming that they are members of a homologous series. Benzimidazole behaves differently.

Thermodynamics of organic mixtures containing amines. X. Phase equilibria for binary systems formed by imidazoles and hydrocarbons: Experimental data and modelling using DISQUAC

International Nuclear Information System (INIS)

Domanska, Urszula; Zawadzki, Maciej; Gonzalez, Juan Antonio

2010-01-01

(Solid + liquid) equilibrium (SLE) temperatures have been determined using a dynamic method for the systems (1H-imidazole, + benzene, + toluene, + hexane, or + cyclohexane; 1-methylimidazole + benzene, or + toluene, 2-methyl-1H-imidazole + benzene, + toluene, or + cyclohexane, and benzimidazole + benzene). In addition (liquid + liquid) equilibrium (LLE) temperatures have been obtained using a cloud point method for (1H-imidazole, + hexane, or + cyclohexane; 1-methylimidazole + toluene, and 2-methyl-1H-imidazole + cyclohexane). The measured systems show positive deviations from the Raoult's law, due to strong dipolar interactions between amine molecules related to the high dipole moment of imidazoles. On the other hand, DISQUAC interaction parameters for the contacts present in these solutions and for the amine/hydroxyl contacts in (1H-imidazole + 1-alkanol) mixtures have been determined. The model correctly represents the available data for the examined systems. Deviations between experimental and calculated SLE temperatures are similar to those obtained using the Wilson or NRTL equations, or the UNIQUAC association solution model. The quasichemical interaction parameters are the same for mixtures containing 1H-imidazole, 1-methylimidazole, or 2-methyl-1H-imidazole and hydrocarbons. This may be interpreted assuming that they are members of a homologous series. Benzimidazole behaves differently.

Development and characterization of poli composites (ether ether ketone)(PEEK)(Hydroxyapatite(HA)

International Nuclear Information System (INIS)

Ferreira, V.P.; Santos, F.S.F.; Sa, M.D. de; Fook, M.V.L.

2016-01-01

The objective of this work was to develop PEEK / HA composites, combining the biological activity of the ceramic phase with the properties of the polymer phase, the materials used in this research were Poly (ether-ether-ketone) (PEEK) and Hydroxyapatite (HA) (50, 60, 70 and 80% m / v HA), this material was subjected to a load of two tons followed by a thermal treatment at 390 ° for a period of 30 minutes. Then they were characterized by FTIR, DRX and MO. In the physical-chemical characterization of FTIR and XRD, it was not possible to identify significant alterations. In the FTIR spectra of the composites, there is no formation of new identifiable chemical bonds. In the composites XRD diffractograms a profile similar to the ceramic phase was observed, with peaks increasing in intensity and narrowing proportional to the increase of the hydroxyapatite concentration in the composites. In optical microscopy it is possible to observe surfaces with heterogeneous morphology, with signs of roughness and in the cross section we observe a heterogeneous aspect, rich in regions with large agglomerates and lighter particles. Considering the processing aspects, the technique proved to be effective for the development of PEEK /HA composites. (author)

Improved adaptability of polyaryl-ether-ether-ketone with texture pattern and graphite-like carbon film for bio-tribological applications

Science.gov (United States)

Ren, Siming; Huang, Jinxia; Cui, Mingjun; Pu, Jibin; Wang, Liping

2017-04-01

With the development of surface treatment technology, an increasing number of bearings, seals, dynamic friction drive or even biomedical devices involve a textured surface to improve lubrication and anti-wear. The present investigation has been conducted in order to evaluate the friction and wear behaviours of textured polyaryl-ether-ether-ketone (PEEK) coated with a graphite-like carbon (GLC) film sliding against stainless steel pin in biological medium. Compared with pure PEEK, the PEEK coated with GLC film shows excellent tribological performance with a low friction of 0.08 and long lifetime (wear volumes are about 3.78 × 10-4 mm3 for un-textured one and 2.60 × 10-4 mm3 for textured GLC film after 36,000 s of sliding) under physiological saline solution. In particular, the GLC film with appropriate dimple area density is effective to improve friction reduction and wear resistance properties of PEEK substrate under biological solution, which is attributed to the entrapment of wear debris in the dimples to inhibit the graphitization and the fluid dynamic pressure effect derived from the texture surface to increase the thickness in elastohydrodynamic lubrication (EHL) film during sliding motions. Moreover, the friction coefficient of GLC film under physiological saline solution decreases with the increase in the applied load. With the increasing applied load, the texture surface is responsible for accounting the improved wear resistance and a much lower graphitization of the GLC film during whole test.

Structural, photophysical, and theoretical studies of imidazole-based excited-state intramolecular proton transfer molecules

Science.gov (United States)

Somasundaram, Sivaraman; Kamaraj, Eswaran; Hwang, Su Jin; Park, Sanghyuk

2018-02-01

Imidazole-based excited state intramolecular proton transfer (ESIPT) blue fluorescent molecules, 2-(1-(4-chlorophenyl)-4,5-diphenyl-1H-imidazol-2-yl)phenol (BHPI-Cl) and 2-(1-(4-bromophenyl)-4,5-diphenyl-1H-imidazol-2-yl)phenol (BHPI-Br) were designed and synthesized by Debus-Radziszewski method through a one-pot multicomponent reaction in high yield. The synthesized compounds were fully characterized by 1H NMR, 13C NMR, FT-IR, FT-Raman, GC-Mass, and elemental analysis. The molecular structures in single crystal lattice were studied by X-ray crystallographic analysis. Because of the intramolecular hydrogen bonding, hydroxyphenyl group is planar to the central imidazole ring, while the other phenyl rings gave distorted conformations to the central heterocyclic ring. BHPI-Cl and BHPI-Br molecules showed intense ESIPT fluorescence at 480 nm, because the two twisted phenyl rings on 4- and 5-positions have reduced intermolecular interaction between adjacent molecules in each crystal through a head-to-tail packing manner. Quantum chemical calculations of energies were carried out by (TD-)DFT using B3LYP/6-31G(d, p) basis set to predict the electronic absorption spectra of the compounds, and they showed good agreement between the computational and the experimental values. The thermal analyses of the synthesized molecules were also carried out by TGA/DSC method.

Hydrogen-deuterium exchange in imidazole as a tool for studying histidine phosphorylation.

Science.gov (United States)

Cebo, Małgorzata; Kielmas, Martyna; Adamczyk, Justyna; Cebrat, Marek; Szewczuk, Zbigniew; Stefanowicz, Piotr

2014-12-01

Isotope exchange at the histidine C2 atom of imidazole in D2O solution is well known to occur at a significantly slower rate than the exchange of amide protons. Analysis of the kinetics of this isotope-exchange reaction is proposed herein as a method of detecting histidine phosphorylation. This modification of His-containing peptides is challenging to pinpoint because of its instability under acidic conditions as well as during CID-MS analysis. In this work, we investigated the effect of phosphorylation of the histidine side chain in peptides on deuterium-hydrogen exchange (DHX) in the imidazole. The results demonstrate that phosphorylation dramatically slows the rate of the DHX reaction. This phenomenon can be applied to detect phosphorylation of peptides at the histidine residue (e.g., in enzymatic digests). We also found that the influence of the peptide sequence on the exchange kinetics is relatively small. A CID fragmentation experiment revealed that there was no detectable hydrogen scrambling in peptides deuterated at C2 of the imidazole ring. Therefore, MS/MS can be used to directly identify the locations of deuterium ions incorporated into peptides containing multiple histidine moieties.

Faradaic impedance titration and control of electron transfer of 1-(12-mercaptododecyl)imidazole monolayer on a gold electrode

International Nuclear Information System (INIS)

Hwang, Seongpil; Lee, Bang Sook; Chi, Young Shik; Kwak, Juhyoun; Choi, Insung S.; Lee, Sang-gi

2008-01-01

In this work, we studied interfacial proton transfer of the self-assembled monolayer (SAM) of 1-(12-mercaptododecyl)imidazole on a gold electrode by faradaic impedance titration method with Fe(CN) 6 3- as an anionic redox probe molecule. The surface pK 1/2 was found to be 7.3, which was nearly the same as that of 1-alkylimidazole in solution. We also investigated the electrochemical properties of the SAM-modified electrode by cyclic voltammetry. Cyclic voltammetry was performed (1) in the solution containing Fe(CN) 6 3- with repeated alternation of pH values to investigate the electrostatic interaction of the protonated or deprotonated imidazole with Fe(CN) 6 3- and (2) in the acidic or basic electrolyte containing Ru(NH 3 ) 6 3+ as a cationic redox probe to verify the effect of the polarity of a redox probe. We observed the reversible adsorption/desorption of Fe(CN) 6 3- and concluded that the adsorbed Fe(CN) 6 3- catalyzed the electron transfer of both Fe(CN) 6 3- itself and cationic Ru(NH 3 ) 6 3+

First catalytic hetero-Diels-Alder reaction of imidazole-2-thiones and in silico biological evaluation of the cycloadducts

NARCIS (Netherlands)

Eleftheriadis, Nikolaos; Samatidou, Evanthia; Neochoritis, Constantinos G.

The Lewis acid-catalyzed Diels-Alder reactions of suitably substituted imidazole-2-thiones with dienes were studied. It was found that the electron density of the imidazole core influenced the reaction, since electron withdrawing groups led to the novel spiro-derivatives 2 whereas electron donating

Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles

International Nuclear Information System (INIS)

Emel'yanenko, Vladimir N.; Portnova, Svetlana V.; Verevkin, Sergey P.; Skrzypczak, Andrzej; Schubert, Thomas

2011-01-01

Highlights: → We measured vapor pressures of the 1-(n-alkyl)-imidazoles by transpiration method. → Variations on the alkyl chain length n were C 3 , C 5 -C 7 , and C 9 -C 10 . → Enthalpies of vaporization were derived from (p, T) dependencies. → Enthalpies of vaporization at 298.15 K were linear dependent on the chain length. - Abstract: Vapor pressures of the linear 1-(n-alkyl)-imidazoles with the alkyl chain C 3 , C 5 -C 7 , and C 9 -C 10 have been measured by the transpiration method. The molar enthalpies of vaporization Δ l g H m of these compounds were derived from the temperature dependencies of vapor pressures. A linear correlation of enthalpies of vaporization Δ l g H m (298.15 K) of the 1-(n-alkyl)-imidazoles with the chain length has been found.

Lithium/sulfur batteries with mixed liquid electrolytes based on ethyl 1,1,2,2-tetrafluoroethyl ether

International Nuclear Information System (INIS)

Lu, Hai; Zhang, Kai; Yuan, Yan; Qin, Furong; Zhang, Zhian; Lai, Yanqing; Liu, Yexiang

2015-01-01

Highlights: • Electrolyte based on fluorinated ether of ETFE is used in Li/S battery. • ETFE improves cycling, rate and self-discharging performances of Li/S battery. • Surface film on Li anode modified by ETFE inhibits the shuttle of polysulfides. - Abstract: Fluorinated ether of ethyl 1,1,2,2-tetrafluoroethyl ether (ETFE) was selected as electrolyte solvent for lithium/sulfur battery, and the influence of ETFE in electrolyte on cell properties was first investigated. The enhanced stability of electrolyte/anode interface and improved electrochemical performances (cycling, rate and self-discharging) of the Li/S cell are presented by using ETFE-containing electrolyte, especially for complete replacement of tetraethylene glycol dimethyl ether (TEGDME) by ETFE in combine with 1,3-dioxolane (DOL). It is found that ETFE plays a key role in modifying the surface composition and structure of the metallic Li, forming a strengthened protective film on the anode during cycling. Besides, ETFE is considered to decrease the dissolution of polysulfides in the electrolyte. These factors together restrict the contact and reaction between polysulfides and Li anode

Synthesis, characterization and catalytic application of silica supported tin oxide nanoparticles for synthesis of 2,4,5-tri and 1,2,4,5-tetrasubstituted imidazoles under solvent-free conditions

Directory of Open Access Journals (Sweden)

Ashok V. Borhade

2017-02-01

Full Text Available Highly efficient and eco-friendly, one pot synthesis of 1,2,4,5-tetra substituted imidazoles and 2,4,5-trisubstituted imidazoles was reported under solvent free conditions using nanocrystalline silica supported tin oxide (SiO2:SnO2 as a catalyst with excellent yield. The present methodology offers several advantages such as mild reaction conditions, short reaction time, good yield, high purity of product, recyclable catalyst without a noticeable decrease in catalytic activity and can be used for large scale synthesis. The synthesized SiO2:SnO2 nanocrystalline catalyst was characterized by XRD, BET surface area and TEM techniques.

A convenient method for 14C-labeling of 2-methylthio-1-[4-N-α-ethoxycarbonylbenzyl)-amino-benzyl] -5-hydroxymethyl-2-[14C]-1H-imidazole and 1-[4-N-α-ethoxy-carbonylbenzyl)-aminobenzyl]-5-hydroxymethyl-2-[14C] -1H-imidazole as potential antihypertensives

International Nuclear Information System (INIS)

Nader Saemian; Gholamhossein Shirvani; Mohsen Javaheri; Sayed Sajad Oliyaee

2012-01-01

The key synthetic intermediate, (2-mercapto-1-(4-nitrobenzyl)-1H-imidazol-5-yl)methanol-[2- 14 C], has been synthesized by using one pot procedure from potassium[ 14 C]-thiocyanate. It was converted to two nonpeptide angiotensin II receptor antagonists, 2-methylthio-1-[4-N-α-ethoxycarbonyl benzyl)-aminobenzyl]-5-hydroxymethyl-1H-imidazole-[2- 14 C] and 1-[4-N-α-ethoxy-carbonylbenzyl)-aminobenzyl] -5-hydroxymethyl-1H-imidazole-[2- 14 C] via a 3-step sequence synthetic pathway. (author)

Toward Anhydrous Proton Conductivity Based on Imidazole Functionalized Mesoporous Silica/Nafion Composite Membranes

International Nuclear Information System (INIS)

Amiinu, Ibrahim Saana; Li, Wei; Wang, Guangjin; Tu, Zhengkai; Tang, Haolin; Pan, Mu; Zhang, Haining

2015-01-01

Highlights: • Imidazole-functionalized mesoporous silica/Nafion composite is formed. • Electrostatic interaction between ionic clusters leads to enhanced molecular rigidity and T g . • Charge transfer resistance decreases with increase in temperature up to 130 °C. • The composite membrane exhibited considerable stability over 70 h at 130 °C. - Abstract: Although Nafion is regarded as the most preferred electrolyte membrane and often used as a benchmark for comparative evaluation of other electrolyte membranes, its wide spread for commercial PEM fuel cells is limited by the poor electrochemical properties at elevated temperatures and low relative humidity conditions. Herein, sol–gel synthesized mesoporous silica functionalized with a protogenic molecule (imidazole) is introduced into the Nafion matrix via a colloid mediated process. The formation of a stable colloid enables homogeneous dispersion of the silica-imidazole nanoparticles without aggregation. Under non-humidified conditions, the amphoteric and self-dissociative character of the tethered imidazole within the matrix functions as a transporting medium to facilitate proton conductivity. The structural and chemical phases are characterized, and qualitatively evaluated by XRD, TEM, FT-IR, TGA, and DMA. The results show that the average proton conductivity of the composite membrane with the optimal amount of functionalized nanoparticles increases progressively to 1.06 × 10 −2 S cm −1 at 130 °C, corresponding to an activation energy of 6.95 kJ mol −1 under non-humidified conditions. The mechanism governing the dynamics of proton conductivity and structural limitations as a function of temperature is discussed

Alcohol and water adsorption in zeolitic imidazolate frameworks

KAUST Repository

Zhang, Ke; Lively, Ryan P.; Dose, Michelle E.; Brown, Andrew J.; Zhang, Chen; Chung, Jaeyub; Nair, Sankar; Koros, William J.; Chance, Ronald R.

2013-01-01

Alcohol (methanol, ethanol, 1-propanol, 2-propanol and 1-butanol) and water vapor adsorption in zeolitic imidazolate frameworks (ZIF-8, ZIF-71 and ZIF-90) with similar crystal sizes was systematically studied. The feasibility of applying these ZIF materials to the recovery of bio-alcohols is evaluated by estimating the vapor-phase alcohol-water sorption selectivity. © 2013 The Royal Society of Chemistry.

A directional entrapment modification on the polyethylene surface by the amphiphilic modifier of stearyl-alcohol poly(ethylene oxide) ether

Science.gov (United States)

Lu, Qiang; Chen, Yi; Huang, Juexin; Huang, Jian; Wang, Xiaolin; Yao, Jiaying

2018-05-01

A novel entrapment modification method involving directional implantation of the amphiphilic modifier of stearyl-alcohol poly(ethylene oxide) ether (AEO) into the high-density polyethylene (HDPE) surface is proposed. This modification technique allows the AEO modifier to be able to spontaneously attain and subsequently penetrate into the swollen HDPE surface with its hydrophobic stearyl segment, while its hydrophilic poly(ethylene oxide) (PEO) segment spontaneously points to water. The AEO modifier with a HLB number below 8.7 was proved appropriate for the directional entrapment, Nevertheless, AEOs with larger HLB numbers were also effective modifiers in the presence of salt additives. In addition, a larger and hydrophobic micelle, induced respectively by the AEO concentration above 1.3 × 10-2 mol/L and the entrapping temperature above the cloud point of AEO, could lead to a sharp contact angle decline of the modified surface. Finally, a hydrophilic HDPE surface with the modifier coverage of 38.9% was reached by the directional entrapment method, which is far larger than that of 19.2% by the traditional entrapment method.

Silane Cross-Linked Sulfonted Poly(Ether Ketone/Ether Benzimidazoles for Fuel Cell Applications

Directory of Open Access Journals (Sweden)

Zilu Yao

2017-11-01

Full Text Available γ-(2,3-epoxypropoxy propyltrimethoxysilane (KH-560 was incorporated in various proportions into side-chain-type sulfonated poly(ether ketone/ether benzimidazole (SPEKEBI as a crosslinker, to make membranes with high ion exchange capacities and excellent performance for direct methanol fuel cells (DMFCs. Systematical measurements including Fourier transform infrared (FT-IR, scanning electron microscopy-energy-dispersive and X-ray photoelectron spectroscopy (XPS proved the complete disappearance of epoxy groups in KH-560 and the existence of Si in the membranes. The resulting membranes showed increased mechanical strength and thermal stability compared to the unmodified sulfonated poly(ether ketone/ether benzimidazole membrane in appropriate doping amount. Meanwhile, the methanol permeability has decreased, leading to the increase of relative selectivities of SPEKEBI-x-SiO2 membranes. Furthermore, the H2/O2 cell performance of SPEKEBI-2.5-SiO2 membrane showed a much higher peak power density compared with the pure SPEKEBI memrbrane.

Critical properties of some aliphatic symmetrical ethers

International Nuclear Information System (INIS)

Nikitin, Eugene D.; Popov, Alexander P.; Bogatishcheva, Nataliya S.

2014-01-01

Highlights: • Critical properties of simple aliphatic ethers were measured. • The ethers decompose at near-critical temperatures. • Pulse-heating method with short residence times was used. -- Abstract: The critical temperatures T c and the critical pressures p c of dihexyl, dioctyl, and didecyl ethers have been measured. According to the measurements, the coordinates of the critical points are T c = (665 ± 7) K, p c = (1.44 ± 0.04) MPa for dihexyl ether, T c = (723 ± 7) K, p c = (1.19 ± 0.04) MPa for dioctyl ether, and T c = (768 ± 8) K, p c = (1.03 ± 0.03) MPa for didecyl ether. All the ethers studied degrade chemically at near-critical temperatures. A pulse-heating method applicable to measuring the critical properties of thermally unstable compounds has been used. The times from the beginning of a heating pulse to the moment of reaching the critical temperature were from 0.06 to 0.46 ms. The short residence times provide little decomposition of the substances in the course of the experiments. The critical properties of the ethers investigated in this work have been discussed together with those of methyl to butyl ethers. The experimental critical constants of the ethers have been compared with those estimated by the group-contribution methods of Wilson and Jasperson and Marrero and Gani. The Wilson/Jasperson method provides a better estimation of the critical temperatures and pressures of simple aliphatic ethers in comparison with the Marrero/Gani method if reliable normal boiling temperatures are used in the method of Wilson and Jasperson

Radiation-induced cationic curing of vinyl ethers

International Nuclear Information System (INIS)

Lapin, S.C.

1992-01-01

Recently there has been an increasing interest in nonacrylate radiation-curable coatings. Vinyl ethers are particularly reactive under cationic polymerization reaction conditions. The high efficiency of the photoacid initiators combined with the high reactivity of vinyl ether monomers makes this a potentially very useful system. This chapter discusses the preparation of vinyl ethers, introduces vinyl ether-functional monomers and oligomers, describes radiation-induced cationic polymerization of vinyl ethers, and discusses various coating systems. Throughout the chapter, an emphasis is placed on radiation-curable coating applications. 64 refs., 5 figs., 11 tabs

Cu(II) coordination polymers constructed by tetrafluoroterephthalic acid and varied imidazole-containing ligands: Syntheses, structures and properties

Science.gov (United States)

Liu, Kang; Sun, Yayong; Deng, Liming; Cao, Fan; Han, Jishu; Wang, Lei

2018-02-01

Six new copper(II) coordination polymers combining 2,3,5,6-tetrafluoroterephthalatic acid (H2tfBDC) and diverse imidazole-containing ligands, {[Cu(tfBDC)(1,2-bix)2]·2(H2O)}n (1), {Cu(tfBDC)(Im)2}n (2), {[Cu(1,4-bmimb)2(H2O)]·(tfBDC)·2(H2O)}n (3), {Cu(1,4-bimb)2(H2O)2·(tfBDC)}n (4), {[Cu(1,3-bix)2(H2O)2]·(tfBDC)·6(H2O)}n (5) and {[Cu(1,4-bix)2(H2O)2]·(tfBDC)·(1,4-bix)·4(H2O)}n (6) (1,2-bix = 1,2-bis(imidazole-1-ylmethyl)-benzene, Im = imidazole, 1,4-bmimb = 1,4-bis((2-methyl-1H-imidazol-1-yl)methyl)benzene, 1,4-bimb = 1,4-bis(imidazol-1-yl)-butane, 1,3-bix = 1,3-bis(imidazole-1-ylmethyl)-benzene, 1,4-bix = 1,4-bis(imidazole-1-ylmethyl)-benzene), have been obtained and structurally verified by single-crystal X-ray diffraction analyses and further characterized by powder X-ray diffraction (PXRD), elemental analyses and infrared spectroscopy (IR). Single crystal X-ray diffraction analysis revealed that 1 is 2D 4-connected sql topology (point symbol: {44·62}) based on a single metal ion node. Compound 2 is characterized as an infinite 1D chain structure, which is further extended into a 2D layer through N-H···O hydrogen bonds and then a 3D supramolecular architecture via π···π stacking interactions. Note that 2 was prepared through an in situ ligand reaction in which N,N'-carbonyldiimidazole (cdi) broke up into imidazole ligand. Compound 3 possesses a 3D 4-fold interpenetrated architecture with 4-connected dia topology (Schläfli symbol: {66}) in which tfBDC2- is stabilized in the channel by hydrogen bonds. Compounds 4-6 are all linear 1D coordination polymers. In 4, the free tfBDC2- ligand acts as a μ4-bridge to link four coordinated water molecules from the chain to construct a 2D structure via hydrogen bonds. While in 5 and 6, the uncoordinated tfBDC2- ligands and multimeric water clusters is responsible for the conversion of these 1D coordination polymers into 3D supramolecular assemblies through O-H⋯O hydrogen bonding interactions. Moreover

Poly (ether ether ketone) membranes for fuel cells

International Nuclear Information System (INIS)

Marrero, Jacqueline C.; Gomes, Ailton de S.; Filho, Jose C.D.; Hui, Wang S.; Oliveira, Vivianna S. de

2015-01-01

Polymeric membranes were developed using a SPEEK polymer matrix (sulphonated poly (ether ether ketone)), containing hygroscopic particles of zirconia (Zr) (incorporated by sol-gel method), for use as electrolyte membranes in fuel cells. SPEEK with different sulfonation degrees were used: 63 and 86%. The thermal analysis (TGA and DSC) was carried out to characterize the membranes and electrochemical impedance spectroscopy (EIS) was carried out to evaluating the proton conductivity of the membranes. Additional analysis were underway in order to characterize these membranes, which include: X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM) in order to evaluate the influence of zirconia and sulfonation degree on the properties of the membranes. (author)

Triclosan and Hydroxylated Polybrominated Diphenyl Ethers in Lake and Esturaine Sediments

Science.gov (United States)

Arnold, W. A.; Kerrigan, J. F.; McNeill, K.; Erickson, P. R.; Grandbois, M.

2014-12-01

Halogenated diphenyl ethers are a class of emerging contaminants that includes the antibacterial compound triclosan and the flame retardant polybrominated diphenyl ethers (PBDEs). Both triclosan and hydroxylated polybrominated diphenyl ethers (OH-BDEs) are known to form dioxins when exposed to sunlight in aqueous solution. Thus, it is important to understand the sources and presence of these compounds in the environment, especially because OH-BDEs are breakdown products of PBDEs and also naturally produced compounds. In this work, the levels of OH-BDEs were determined in lake sediments from Minnesota and esturaine sediments from San Francisco Bay. Both surface sediments over a broad spatial area and sediment cores were collected and analyzed. Triclosan was used as a marker of wastewater as a source of the targeted emerging contaminants. The relationship between triclosan and OH-BDE levels provides insight into the importance of natural and anthropogenic influences on the levels of OH-BDEs.

Ion-Selective Ionic Polymer Metal Composite (IPMC) actuator based on crown ether containing sulfonated Poly(Arylene Ether Ketone)

NARCIS (Netherlands)

Tas, S.; Zoetebier, B.; Sukas, O.S.; Bayraktar, M.; Hempenius, M.; Vancso, G.J.; Nijmeijer, K.

2017-01-01

This study introduces the concept of ion selective actuation in polymer metal composite actuators, employing crown ether bearing aromatic polyether materials. For this purpose, sulfonated poly(arylene ether ketone) (SPAEK) and crown ether containing SPAEK with molar masses suitable for membrane

Dichloridobis[1-(2,4,6-trimethylphenyl-1H-imidazole-κN3]copper(II

Directory of Open Access Journals (Sweden)

Yantao Zhang

2013-11-01

Full Text Available In the title complex, [CuCl2(C12H14N22], the Cu2+ cation is situated on an inversion centre and is coordinated by two N atoms from symmetry-related 1-mesityl-1H-imidazole ligands and by two chloride anions in a slightly distorted square-planar geometry. In the organic ligand, the dihedral angle between the benzene ring of the mesityl moiety and the imidazole ring is 76.99 (18°. Weak intramolecular C—H...Cl hydrogen-bonding interactions consolidate the molecular conformation.

Biological applications of zinc imidazole framework through protein encapsulation

Directory of Open Access Journals (Sweden)

Pawan Kumar

2015-12-01

Full Text Available Abstract The robustness of biomolecules is always a significant challenge in the application of biostorage in biotechnology or pharmaceutical research. To learn more about biostorage in porous materials, we investigated the feasibility of using zeolite imidazolate framework (ZIF-8 with respect to protein encapsulation. Here, bovine serum albumin (BSA was selected as a model protein for encapsulation with the synthesis of ZIF-8 using water as a media. ZIF-8 exhibited excellent protein adsorption capacity through successive adsorption of free BSA with the formation of hollow crystals. The loading of protein in ZIF-8 crystals is affected by the molecular weight due to diffusion-limited permeation inside the crystals and also by the affinity of the protein to the pendent group on the ZIF-8 surface. The polar nature of BSA not only supported adsorption on the solid surface, but also enhanced the affinity of crystal spheres through weak coordination interactions with the ZIF-8 framework. The novel approach tested in this study was therefore successful in achieving protein encapsulation with porous, biocompatible, and decomposable microcrystalline ZIF-8. The presence of both BSA and FITC–BSA in ZIF-8 was confirmed consistently by spectroscopy as well as optical and electron microscopy.

Novel proton exchange membranes based on structure-optimized poly(ether ether ketone ketone)s and nanocrystalline cellulose

Science.gov (United States)

Ni, Chuangjiang; Wei, Yingcong; Zhao, Qi; Liu, Baijun; Sun, Zhaoyan; Gu, Yan; Zhang, Mingyao; Hu, Wei

2018-03-01

Two sulfonated fluorenyl-containing poly(ether ether ketone ketone)s (SFPEEKKs) were synthesized as the matrix of composite proton exchange membranes by directly sulfonating copolymer precursors comprising non-sulfonatable fluorinated segments and sulfonatable fluorenyl-containing segments. Surface-modified nanocrystalline cellulose (NCC) was produced as the "performance-enhancing" filler by treating the microcrystalline cellulose with acid. Two families of SFPEEKK/NCC nanocomposite membranes with various NCC contents were prepared via a solution-casting procedure. Results revealed that the insertion of NCC at a suitable ratio could greatly enhance the proton conductivity of the pristine membranes. For example, the proton conductivity of SFPEEKK-60/NCC-4 (SFPEEKK with 60% fluorenyl segments in the repeating unit, and inserted with 4% NCC) composite membrane was as high as 0.245 S cm-1 at 90 °C, which was 61.2% higher than that of the corresponding pure SFPEEKK-60 membrane. This effect could be attributed to the formation of hydrogen bond networks and proton conduction paths through the interaction between -SO3H/-OH groups on the surface of NCC particles and -SO3H groups on the SFPEEKK backbones. Furthermore, the chemically modified NCC filler and the optimized chemical structure of the SFPEEKK matrix also provided good dimensional stability and mechanical properties of the obtained nanocomposites. In conclusion, these novel nanocomposites can be promising proton exchange membranes for fuel cells at moderate temperatures.

Spino ether and its vortices: leptons and hadrons

Energy Technology Data Exchange (ETDEWEB)

Skorski, R [College of Engineering, Univ. of Alabama, Alabama (USA)

1977-03-01

According to the theory advanced by the author, space is occupied by a spino ether lattice. Where no spino lattice exists, there are black holes. The spino is a kind of massive neutrino with a rest mass of about 7.39x10/sup -47/g and a diameter of 4.56x10/sup -34/cm. The distance between spinos in the spino lattice is about 2x10/sup -10/cm. Spino ether is ubiquitous in all matter, pervades atoms and their nuclei and penetrates matter with no resistance. In fact, hadrons and leptons are shown to be vortices of the spino ether. About one km/sup 3/ of space contains spino ether having a mass equal to 10/sup 80/ baryons, equivalent to the total mass of our universe. If the distances between spinos equaled their diameters, 4.56x10/sup -34/cm instead of 2x10/sup -10/cm, then the diameter of the mass equivalent to our universe would be about 2cm. This is in agreement with the size of the premordial universe, before its explosion, as calculated earlier by other theories. It is conjectured that explosions of energy and mass in space are more frequent on a smaller scale than those in the universe, for example novas, or even on a still smaller scale usually associated with the birth of different nuclei. The abundance of iron in the solar corona, on the surface of Mars, and in the Martin sky appears to be due to hadron formation from space itself.

Study of Antibacterial Effect of Novel Thiazole, Imidazole and Tetrahydropyridine Derivatives against Escherichia coli

Directory of Open Access Journals (Sweden)

Behzad Ghasemi

2016-01-01

Full Text Available > Introduction: Escherichia coli is one of the important pathogens in human with globalimportance. Because of the necessity for identification and the use of novel antibacterialcompounds against E. coli, in this present study we focused on the antibacterial effects ofsynthesized thiazole, imidazole and tetrahydropyridine derivatives on E. coli.Methods: For evaluation of antibacterial effect, the disk diffusion method was applied to measurethe growth inhibition zone diameter and broth micro-dilution was performed to determine theminimum inhibitory concentration (MIC.Results: Assessing the antibacterial effect showed that only 6d derivative of thiazole hadinhibitory effect on E. coli and the other thiazole, imidazole and tetrahydropyridine derivativeslacked any inhibitory result on this organism. The inhibitory effect of 6d derivative of thiazolewas MIC=125 and growth inhibition zone diameter of 16±0.1.Discussion: The antibacterial effect of thiazole, imidazole and tetrahydropyridine derivativesdiffers from each other and chemical linkages such as oxygen to thiazole ring in 6d derivative,could have reinforced this effect. The next step is determination of the toxicity and therapeuticeffects in the laboratory animals.

Trapped in imidazole: how to accumulate multiple photoelectrons on a black-absorbing ruthenium complex.

Science.gov (United States)

Zedler, Linda; Kupfer, Stephan; de Moraes, Inês Rabelo; Wächtler, Maria; Beckert, Rainer; Schmitt, Michael; Popp, Jürgen; Rau, Sven; Dietzek, Benjamin

2014-03-24

Ruthenium dyes incorporating a 4H-imidazole chromophore as a ligand exhibit a spectrally broad absorption in the UV/Vis region. Furthermore, they show the ability to store two electrons within the 4H-imidazole ligand. These features render them promising molecular systems, for example, as inter- or intramolecular electron relays. To optimize the structures with respect to their electron-storage capability, it is crucial to understand the impact of structural changes accompanying photoinduced charge transfer in the electronic intermediates of multistep electron-transfer processes. The photophysical properties of these (reactive) intermediates might impact the function of the molecular systems quite substantially. However, the spectroscopic study of short-lived intermediates in stepwise multielectron-transfer processes is experimentally challenging. To this end, this contribution reports on the electrochemical generation of anions identical to intermediate structures and their spectroscopic characterization by in situ resonance Raman and UV/Vis spectroelectrochemistry and computational methods. Thereby, an efficient two-electron pathway to the 4H-imidazole electron-accepting ligand is identified. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

All solid supercapacitor based on polyaniline and crosslinked sulfonated poly[ether ether ketone

International Nuclear Information System (INIS)

Sivaraman, P.; Kushwaha, R.K.; Shashidhara, K.; Hande, V.R.; Thakur, A.P.; Samui, A.B.; Khandpekar, M.M.

2010-01-01

All solid supercapacitor based on polyaniline (PANI) and crosslinked sulfonated poly[ether ether ketone] (XSPEEK,) is reported in this paper. The crosslinker used for sulfonated poly[ether ether ketone] (SPEEK) is 1,4-bis(hydroxymethyl) benzene. The XSPEEK is used as both solid electrolyte and separator membrane. Supercapacitors are fabricated using various PANI/XSPEEK weight ratios. These are characterized by cyclic voltammetry and galvanostatic charge-discharge studies. The supercapacitor with PANI/XSPEEK weight ratio 1:0.5, exhibit a specific capacitance of 480 F g -1 of PANI. To the best of authors' knowledge, the value reported here is the highest for a supercapacitor based on a proton conducting solid polymer electrolyte and PANI. Detailed electrochemical impedance spectroscopy analysis is carried out. The analysis shows that the complex capacitance of the supercapacitor depends on the XSPEEK content. The time constant (t 0 ), derived from the imaginary part of complex capacitance decreases with increase in the XSPEEK content in the supercapacitor. Cycle life characteristics of the supercapacitor show a decrease in specific capacitance during initial cycles and get stabilized during later cycles.

Hydrogen storage by functionalised Poly(ether ether ketone)

Energy Technology Data Exchange (ETDEWEB)

Pedicini, R.; Giacoppo, G.; Carbone, A.; Passalacqua, E. [CNR-ITAE, Messina (Italy). Inst. for Advanced Energy Technologies

2010-07-01

In this work a functionalised polymer was studied as potential material for hydrogen storage in solid state. A Poly(ether ether ketone) (PEEK) matrix was modified by a manganese oxide in situ formation. Here we report the functionalisation process and the preliminary results on hydrogen storage capability of the synthesised polymer. The polymer was characterized by Scanning Electron Microscopy, X-ray diffraction, Transmission Electron Microscopy and Gravimetric Hydrogen Adsorption measurements. In the functionalised PEEK, morphological changes occur as a function of oxide precursor concentration and reaction time. Promising results by gravimetric measurements were obtained with a hydrogen sorption of 0.24%wt/wt at 50 C and 60 bar, moreover, reversibility hydrogen adsorption and desorption in a wide range of both temperature and pressure was confirmed. (orig.)

Characterization and Solubilization of Pyrrole–Imidazole Polyamide Aggregates

OpenAIRE

Hargrove, Amanda E.; Raskatov, Jevgenij A.; Meier, Jordan L.; Montgomery, David C.; Dervan, Peter B.

2012-01-01

To optimize the biological activity of pyrrole–imidazole polyamide DNA-binding molecules, we characterized the aggregation propensity of these compounds through dynamic light scattering and fractional solubility analysis. Nearly all studied polyamides were found to form measurable particles 50–500 nm in size under biologically relevant conditions, while HPLC-based analyses revealed solubility trends in both core sequences and peripheral substituents that did not correlate with overall ionic c...

Regio- and Enantioselective N-Allylations of Imidazole, Benzimidazole, and Purine Heterocycles Catalyzed by Single-Component Metallacyclic Iridium Complexes

Science.gov (United States)

Stanley, Levi M.

2010-01-01

Highly regio- and enantioselective iridium-catalyzed N-allylations of benzimidazoles, imidazoles, and purines have been developed. N-Allylated benzimidazoles and imidazoles were isolated in high yields (up to 97%) with high branched-to-linear selectivity (up to 99:1) and enantioselectivity (up to 98% ee) from the reactions of benzimidazole and imidazole nucleophiles with unsymmetrical allylic carbonates in the presence of single component, ethylene-bound, metallacyclic iridium catalysts. N-Allylated purines were also obtained in high yields (up to 91%) with high N9:N7 selectivity (up to 96:4), high branched-to-linear selectivity (98:2), and high enantioselectivity (up to 98% ee) under similar conditions. The reactions encompass a range of benzimidazole, imidazole, and purine nucleophiles, as well as a variety of unsymmetrical aryl, heteroaryl, and aliphatic allylic carbonates. Competition experiments between common amine nucleophiles and the heterocyclic nitrogen nucleophiles studied in this work illustrate the effect of nucleophile pKa on the rate of iridium-catalyzed N-allylation reactions. Kinetic studies on the allylation of benzimidazole catalyzed by metallacyclic iridium-phosphoramidite complexes, in combination with studies on the deactivation of these catalysts in the presence of heterocyclic nucleophiles, provide insight into the effects of the structure of the phosphoramidite ligands on the stability of the metallacyclic catalysts. The data obtained from these studies has led to the development of N-allylations of benzimidazoles and imidazoles in the absence of an exogenous base. PMID:19480431

Activity relationships for aromatic crown ethers

International Nuclear Information System (INIS)

Wilson, Mark James

1998-01-01

This thesis involves an investigation of aromatic crown ethers and a study of their binding constants for alkali metals. The study was motivated by the current needs of the semiconductor industry to improve the scavenging of mobile ions from fabricated circuits. A number of aromatic crown ethers have been sulphonated in an attempt to improve their water solubility and cation binding activity. These materials have been extensively studied and their binding activity determined. In collaboration with a molecular modelling study, the effect of ionisable sulphonate groups on the macrocycles' behaviour has been investigated. The broader issue of the effect of substituents in aromatic crown ethers has also been studied with the preparation of a wide range of substituted crown ethers. The cation binding activity of these materials has been found to bear a simple relationship to the electron withdrawing nature of the aromatic substituents. This relationship can be accurately monitored using electronic charge densities from molecular modelling and this rational has been applied to the study of proton ionisable and lariating crown ethers. The incorporation of crown ethers into polyamic acid and polyimide frameworks has also been investigated, where the resulting materials have been found to exhibit unusual cation binding and uptake properties. These results imply that the combination of the crown ethers' macrocycle and adjacent carboxylic acid residues, from the polyamic acids, are conducive to effective cationic binding. NMR measurements, in conjunction with molecular modelling, have been used to explore the geometry changes encountered as the crown ether goes from it's uncomplexed to its complexed state. The energy requirement for these geometry changes has subsequently been used to examine the cation selectivity of these materials. The electronic charge changes associated with the complexation have also been investigated and correlated with the theoretical results. (author)

Radiation grafting from binary monomer mixtures. II. Vinyl ether of monoethanolamine and N-vinylpyrrolidone

International Nuclear Information System (INIS)

Nurkeeva, Zauresh S.; Abdel Aal, A.-S.; Kupchishin, Anatoliy I.; Khutoryanskiy, Vitaliy V.; Mun, Grigoriy A.; Beksyrgaeva, Aida G.

2003-01-01

Radiation grafting from binary monomer mixtures of vinyl ether of monoethanolamine and N-vinylpyrrolidone onto polyethylene films has been studied. The structure of the grafted films was characterized by FTIR spectroscopy. Water uptake and contact angle measurements confirmed that the grafting leads to a considerable hydrophilization of the films surface. The presence of the more active N-vinylpyrrolidone enhances the grafting of the less active vinyl ether of monoethanolamine. Sorption properties of grafted films with respect to copper (II) ions have been studied

Biaxial deformation behaviour of poly-ether-ether-ketone

Science.gov (United States)

Turner, Josh; Menary, Gary; Martin, Peter

2018-05-01

The biaxial tensile properties of thin poly-ether-ether-ketone (PEEK) films are presented. Investigation into the biaxial mechanical behaviour of PEEK films will provide a preliminary insight into the anticipated stress/strain response, and potential suitability, to the possible fabrication of thin walled parts through stretch blow moulding and thermoforming processes - with the multi-axial state of strain imposed onto the heated thermoplastic sheet representative of the expected strain history experienced during these material forming processes. Following identification of the prospective forming temperature window, the biaxial mechanical behaviour of the material is characterized under differing modes of deformation, at a nominal strain rate of 1 s-1. The temperature dependence is outlined within - with an appreciable increase in flow behaviour correlated with specimen temperature exceeding its glass transition temperature (Tg).

Cd(II)-coordination polymers based on tetracarboxylic acid and diverse bis(imidazole) ligands: Synthesis, structural diversity and photoluminescence properties

Energy Technology Data Exchange (ETDEWEB)

Arıcı, Mürsel, E-mail: marici@ogu.edu.tr [Department of Chemistry, Faculty of Arts and Sciences, Eskişehir Osmangazi University, 26480 Eskişehir (Turkey); Yeşilel, Okan Zafer [Department of Chemistry, Faculty of Arts and Sciences, Eskişehir Osmangazi University, 26480 Eskişehir (Turkey); Taş, Murat [Department of Science Education, Education Faculty, Ondokuz Mayıs University, 55139 Samsun (Turkey)

2017-01-15

Three new Cd(II)-coordination polymers, namely, ([Cd{sub 2}(μ{sub 6}-ao{sub 2}btc)(μ-1,5-bipe){sub 2}]·2H{sub 2}O){sub n} (1), ([Cd{sub 2}(μ{sub 6}-ao{sub 2}btc)(μ-1,4-bix){sub 2}]{sub n}·2DMF) (2) and ([Cd{sub 2}(μ{sub 8}-abtc)(μ-1,4-betix)]·DMF·H{sub 2}O){sub n} (3) (ao{sub 2}btc=di-oxygenated form of 3,3′,5,5′-azobenzenetetracarboxylate, 1,5-bipe: 1,5-bis(imidazol-1yl)pentane, 1,4-bix=1,4-bis(imidazol-1ylmethyl)benzene, 1,4-betix=1,4-bis(2-ethylimidazol-1ylmethyl)benzene) were synthesized with 3,3′,5,5′-azobenzenetetracarboxylic acid and flexible, semi-flexible and semi-flexible substituted bis(imidazole) linkers. They were characterized by IR spectroscopy, elemental analysis, single-crystal X-ray diffraction, powder X-ray diffractions (PXRD) and thermal analyses (TG/DTA). Complexes 1–3 exhibited structural diversities depending on flexible, semi-flexible and semi-flexible substituted bis(imidazole) ligands. Complex 1 was 2D structure with 3,6L18 topology. Complex 2 had a 3D pillar-layered framework with the rare sqc27 topology. When semi-flexible substituted bis(imidazole) linker was used, 3D framework of complex 3 was obtained with the paddlewheel Cd{sub 2}(CO{sub 2}){sub 4}-type binuclear SBU. Moreover, thermal and photoluminescence properties of the complexes were determined in detailed. - Graphical abstract: In this study, three novel Cd(II)-coordination polymers were synthesized with 3,3′,5,5′-azobenzenetetracarboxylic acid and flexible, semi-flexible and semi-flexible substituted bis(imidazole) linkers. They were characterized by IR spectroscopy, elemental analysis, single-crystal X-ray diffraction, powder X-ray diffractions (PXRD) and thermal analyses (TG/DTA). Complexes 1–3 exhibited structural diversities depending on flexible, semi-flexible and semi-flexible substituted bis(imidazole) ligands. Complex 1 was 2D structure with 3,6L18 topology. Complex 2 had a 3D pillar-layered framework with the rare sqc27 topology. When semi

Ultrasound-promoted synthesis of (4 or 5-aryl-2-aryloyl-(1H-imidazoles in water

Directory of Open Access Journals (Sweden)

Behzad Khalili

2014-01-01

Full Text Available A green and efficient method for the synthesis of (4 or 5-aryl-2-aryloyl-(1H-imidazoles via self-condensation reaction of arylglyoxal hydrates in the presence of ammonium acetate using water as solvent under ultrasonic irradiation was reported. The reactions proceeded in high yields and very short reaction time. Introduced procedure is completely ecofriendly and don’t need any toxic organic solvent in all performing steps. In addition we use computational chemistry for acquiring some information about the thermochemistry and geometrical structure of these imidazole derivatives.

Novel crosslinked membranes based on sulfonated poly(ether ether ketone) for direct methanol fuel cells.

Science.gov (United States)

Zhu, Yuanqin; Zieren, Shelley; Manthiram, Arumugam

2011-07-14

Novel covalently crosslinked membranes based on sulfonated poly(ether ether ketone) and carboxylated polysulfone exhibit much lower methanol crossover and better performance in direct methanol fuel cells at 65 °C in 1 and 2 M methanol solutions compared to Nafion 115 membranes.

Preparation and Characterization of Sulfonated Poly (ether ether ...

African Journals Online (AJOL)

NJD

2007-08-10

Aug 10, 2007 ... Preparation and Characterization of Sulfonated Poly (ether ... Currently perfluori- ... with phosphoric acid solution according to the method described earlier.11,12 ... where A is the membrane area available for diffusion; CA is.

Lithiated and sulphonated poly(ether ether ketone) solid state electrolyte films for supercapacitors

Energy Technology Data Exchange (ETDEWEB)

Chiu, K.-F.; Su, S.-H., E-mail: minimono42@gmail.com

2013-10-01

Poly(ether ether ketone) (PEEK) films have been synthesised and used as solid-state electrolytes for supercapacitors. In order to increase their ion conductivity, the PEEK films were sulphonated by sulphuric acid, and various amounts of LiClO{sub 4} were added. The solid-state electrolyte films were characterised by Fourier transform infrared spectroscopy, scanning electron microscopy, energy-dispersive X-ray spectroscopy, and thermogravimetric analysis. The ionic conductivities of the electrolyte films were analysed by performing electrochemical impedance spectroscopy. The obtained electrolyte films can be sandwiched or directly coated on activated carbon electrodes to form solid-state supercapacitors. The electrochemical characteristics of these supercapacitors were investigated by performing cyclic voltammetry and charge–discharge tests. Under an optimal content of LiClO{sub 4}, the supercapacitor can provide a capacitance as high as 190 F/g. After 1000 cycles, the supercapacitors show almost no capacitance fading, indicating high stability of the solid-state electrolyte films. - Highlights: • Poly(ether ether ketone) (PEEK) films have been used as solid-state electrolytes. • LiClO4 addition can efficiently improve the ionic conductivity. • Supercapacitors using PEEK electrolyte films deliver high capacitance.

Lithiated and sulphonated poly(ether ether ketone) solid state electrolyte films for supercapacitors

International Nuclear Information System (INIS)

Chiu, K.-F.; Su, S.-H.

2013-01-01

Poly(ether ether ketone) (PEEK) films have been synthesised and used as solid-state electrolytes for supercapacitors. In order to increase their ion conductivity, the PEEK films were sulphonated by sulphuric acid, and various amounts of LiClO 4 were added. The solid-state electrolyte films were characterised by Fourier transform infrared spectroscopy, scanning electron microscopy, energy-dispersive X-ray spectroscopy, and thermogravimetric analysis. The ionic conductivities of the electrolyte films were analysed by performing electrochemical impedance spectroscopy. The obtained electrolyte films can be sandwiched or directly coated on activated carbon electrodes to form solid-state supercapacitors. The electrochemical characteristics of these supercapacitors were investigated by performing cyclic voltammetry and charge–discharge tests. Under an optimal content of LiClO 4 , the supercapacitor can provide a capacitance as high as 190 F/g. After 1000 cycles, the supercapacitors show almost no capacitance fading, indicating high stability of the solid-state electrolyte films. - Highlights: • Poly(ether ether ketone) (PEEK) films have been used as solid-state electrolytes. • LiClO4 addition can efficiently improve the ionic conductivity. • Supercapacitors using PEEK electrolyte films deliver high capacitance

Optical anisotropy, molecular orientations, and internal stresses in thin sulfonated poly(ether ether ketone) films

NARCIS (Netherlands)

Koziara, B.T.; Nijmeijer, K.; Benes, N.E.

2015-01-01

The thickness, the refractive index, and the optical anisotropy of thin sulfonated poly(ether ether ketone) films, prepared by spin-coating or solvent deposition, have been investigated with spectroscopic ellipsometry. For not too high polymer concentrations (≤5 wt%) and not too low spin speeds

Optical anisotropy, molecular orientations, and internal stresses in thin sulfonated poly(ether ether ketone) films

NARCIS (Netherlands)

Koziara, Beata; Nijmeijer, Dorothea C.; Benes, Nieck Edwin

2015-01-01

The thickness, the refractive index, and the optical anisotropy of thin sulfonated poly(ether ether ketone) films, prepared by spin-coating or solvent deposition, have been investigated with spectroscopic ellipsometry. For not too high polymer concentrations (B5 wt%) and not too low spin speeds

Rapid and extensive debromination of decabromodiphenyl ether by smectite clay-templated subnanoscale zero-valent iron.

Science.gov (United States)

Yu, Kai; Gu, Cheng; Boyd, Stephen A; Liu, Cun; Sun, Cheng; Teppen, Brian J; Li, Hui

2012-08-21

Subnanoscale zerovalent iron (ZVI) synthesized using smectite clay as a template was utilized to investigate reduction of decabromodiphenyl ether (DBDE). The results revealed that DBDE was rapidly debrominated by the prepared smectite-templated ZVI with a reaction rate 10 times greater than that by conventionally prepared nanoscale ZVI. This enhanced reduction is plausibly attributed to the smaller-sized smectite-templated ZVI clusters (∼0.5 nm) vs that of the conventional nanoscale ZVI (∼40 nm). The degradation of DBDE occurred in a stepwise debromination manner. Pentabromodiphenyl ethers were the terminal products in an alkaline suspension (pH 9.6) of smectite-templated ZVI, whereas di-, tri-, and tetrabromodiphenyl ethers formed at the neutral pH. The presence of tetrahydrofuran (THF) as a cosolvent at large volume fractions (e.g., >70%) in water reduced the debromination rates due to enhanced aggregation of clay particles and/or diminished adsorption of DBDE to smectite surfaces. Modification of clay surfaces with tetramethylammonium (TMA) attenuated the colsovent effect on the aggregation of clay particles, resulting in enhanced debromination rates. Smectite clay provides an ideal template to form subnanoscale ZVI, which demonstrated superior debromination reactivity with DBDE compared with other known forms of ZVIs. The ability to modify the nature of smectite clay surface by cation exchange reaction utilizing organic cations can be harnessed to create surface properties compatible with various contaminated sites.

Poly(vinylbenzyl sulfonic acid)-grafted poly(ether ether ketone) membranes

Energy Technology Data Exchange (ETDEWEB)

Hwang, Mi-Lim; Choi, Jisun; Woo, Hyun-Su; Kumar, Vinod; Sohn, Joon-Yong; Shin, Junhwa, E-mail: shinj@kaeri.re.kr

2014-02-15

Highlights: • PEEK-g-PVBSA, a polymer electrolyte membrane was prepared by a radiation grafting technique. • Poly(ether ether ketone) (PEEK), an aromatic hydrocarbon polymer was used as a grafting backbone film. • The water uptake, proton conductivity, and methanol permeability of the membranes were evaluated. • PEEK-g-PVBSA membranes show considerably lower methanol permeability compared to a Nafion membrane. -- Abstract: In this study, an aromatic hydrocarbon based polymer electrolyte membrane, poly(vinylbenzyl sulfonic acid)-grafted poly(ether ether ketone) (PEEK-g-PVBSA), has been prepared by the simultaneous irradiation grafting of vinylbenzyl chloride (VBC) monomer onto a PEEK film and subsequent sulfonation. Each chemical conversion was monitored by FT-IR and SEM–EDX instruments. The physicochemical properties including IEC, water uptake, proton conductivity, and methanol permeability of the prepared membranes were also investigated and found that the values of these properties increase with the increase of degree of grafting. It was observed that the IEC values of the prepared PEEK-g-PVBSA membranes with 32%, 58%, and 80% DOG values were 0.50, 1.05, and 1.22 meq/g while the water uptakes were 14%, 20%, and 21%, respectively. The proton conductivities (0.0272–0.0721 S/cm at 70 °C) were found to be somewhat lower than Nafion 212 (0.126 S/cm at 70 °C) at a relative humidity of 90%. However, the prepared membranes showed a considerably lower methanol permeability (0.61–1.92 × 10{sup −7} cm{sup 2}/s) compared to a Nafion 212 membrane (5.37 × 10{sup −7} cm{sup 2}/s)

Synthesis and characterization of some complexes with imidazole and pyrazole from saccharinate transition ions in oxidation state (II)

International Nuclear Information System (INIS)

Pineda Cedeno, Leslie William

2001-01-01

The synthesis and characterization of metal ions saccharinate of the first serie of transition with the imidazole and pyrazole molecules in water and absolute ethanol were studied. In general, it found that in this series of saccharinate of coordinated water molecules are replaced by imidazole and pyrazole molecules with different substitution patterns, generating neutral complex of molecular formula [M(Sac) 2 (L) n (H 2 O) n-4 ] and cationic complex of molecular formula [M(L) n (H 2 O) 2 ]x2Sac, [M(L) n (H 2 O) 3 ]x2Sac, [M(L) n ]x2Sac, where M = V(II), Cr(II), Mc(II), Fe(II), Co(II), Ni(II) y Zn(II); Sac = saccharinate ion; L = imidazole (imd) and pyrazole (pir) and n = 6,4,3 and 2. These compounds are soluble in DMF and insoluble in all other common solvents. In turn, synthesized compounds in water were characterized by X ray crystallography, where preliminary data of refinement cycles, generate formulas of isostructural type [M(imd) 4 (H 2 O) 2 ]x2Sac and [M(Sac) 2 (pir) 2 (H 2 O) 2 ] where M = Co(II), Ni(II). The imidazole complex crystallize in the triclinic crystal system and space group P-1, while the pyrazole complexes crystallize in the monoclinic crystal system and space group P2 (1)/n. Gradual diminution was observed in the bond distances of M-N (saccharinate ion), M-N (imidazole) and M-N (pyrazole). The complex was characterized by spectroscopic methods, magnetic and electrochemical. (author) [es

Thermal stability of sulfonated Poly(Ether Ether Ketone) films : on the role of Protodesulfonation

NARCIS (Netherlands)

Koziara, B.T.; Kappert, E.J.; Ogieglo, W.; Nijmeijer, Kitty; Hempenius, M.A.; Benes, N.E.

Thin film and bulk, sulfonated poly(ether ether ketone) (SPEEK) have been subjected to a thermal treatment at 160–250 °C for up to 15 h. Exposing the films to 160 °C already causes partial desulfonation, and heating to temperatures exceeding 200 °C results in increased conjugation in the material,

Parallel Synthesis of a Library of Symmetrically- and Dissymmetrically-disubstituted Imidazole-4,5-dicarboxamides Bearing Amino Acid Esters

Directory of Open Access Journals (Sweden)

Rosanna Solinas

2009-01-01

Full Text Available The imidazole-4,5-dicarboxylic acid scaffold is readily derivatized with amino acid esters to afford symmetrically- and dissymmetrically-disubstituted imidazole-4,5-dicarboxamides with intramolecularly hydrogen bonded conformations that predispose the presentation of amino acid pharmacophores. In this work, a total of 45 imidazole-4,5-dicarboxamides bearing amino acid esters were prepared by parallel synthesis. The library members were purified by column chromatography on silica gel and the purified compounds characterized by LC-MS with LC detection at 214 nm. A selection of the final compounds was also analyzed by 1H-NMR spectroscopy. The analytically pure final products have been submitted to the Molecular Library Small Molecule Repository (MLSMR for screening in the Molecular Library Screening Center Network (MLSCN as part of the NIH Roadmap.

Synthesis, characterization and toxicity of azanonaborane-containing imidazoles for boron neutron capture therapy

International Nuclear Information System (INIS)

El-Zaria, Mohamed E.; Genady, Afaf R.; Gabel, Detlef

2006-01-01

The exo-NH 2 R group of the azanonaborane of the type [(RH 2 N)B 8 H 11 NHR] can be exchanged by one hetero-nitrogen atom of the imidazole ring. In the case of histamine, the exchange takes place on the aliphatic amino group, the hetero-nitrogen atom of the imidazole ring or both of them. In vitro experiments using B16 melanoma cells showed that incorporation of B 8 N cluster unit into primary amino group of the histamine increases the compound's toxicity. In contrast, this specificity for cytotoxicity effect was not observed in the case of histamine containing two B 8 N clusters which was relatively nontoxic and did not inhibit colony formation up to 2 mM. (author)

An Imidazole based probe for relay recognition of Cu and OH ions ...

Indian Academy of Sciences (India)

biological activities.1 Biological activity of imidazole derivatives is the main motive for ... These systems use physical or chemical inputs to gen- erate outputs based on a set ... exhibit α-glucosidase inhibition to treat diabetes.21. 2. Experimental.

Controlled synthesis of phase-pure zeolitic imidazolate framework Co-ZIF-9

NARCIS (Netherlands)

Öztürk, Z.; Hofmann, J.P.; Lutz, M.; Mazaj, M.; Zabukovec Logar, N.; Weckhuysen, B.M.

2015-01-01

The synthesis of phase-pure Co-ZIF-9, an important cobalt-based zeolitic imidazolate framework, could be achieved by modification of the reported synthesis procedure through pH adjustment of the starting synthesis mixture. The phase-pure Co-ZIF-9 material obtained has been characterized by a

Hybrid Zeolitic Imidazolate Frameworks: Controlling Framework Porosity and Functionality by Mixed-Linker Synthesis

KAUST Repository

Thompson, Joshua A.; Blad, Catherine R.; Brunelli, Nicholas A.; Lydon, Megan E.; Lively, Ryan P.; Jones, Christopher W.; Nair, Sankar

2012-01-01

Zeolitic imidazolate frameworks (ZIFs) are a subclass of nanoporous metal-organic frameworks (MOFs) that exhibit zeolite-like structural topologies and have interesting molecular recognition properties, such as molecular sieving and gate

On new physical reality (on ψ-ether)

International Nuclear Information System (INIS)

Isaev, P.S.

2002-01-01

It is shown that there exists a new physical reality - the ψ-ether. All the achievements of quantum mechanics and quantum field theory are due to the fact that both the theories include the influence of ψ-ether on the physical processes occurring in the Universe. Physics of the XX century was first of all the physics of ψ-ether

Synthesis, single crystal X-ray, spectroscopic (FT-IR, UV-vis, fluorescence, 1H &13C NMR), computational (DFT/B3LYP) studies of some imidazole based picrates

Science.gov (United States)

Arockia doss, M.; Rajarajan, G.; Thanikachalam, V.; Selvanayagam, S.; Sridhar, B.

2018-04-01

2,4,5-triphenyl-1H-imidazol-3-ium picrate (1), 2-(4-fluorophenyl)-4,5-diphenyl-1H-imidazol-3-ium picrate (2), 2-(4-methylphenyl)-4,5-diphenyl-1H-imidazol-3-ium picrate (3) were synthesised. These compounds 1-3 were characterized by elemental, FT-IR, 1H NMR and 13C NMR analyses. The structure of compound 3 was further confirmed by single crystal X-ray diffraction. The studies reveal that the molecule is associated with weak Nsbnd H⋯O and Csbnd H⋯N and van der Waals interactions which are responsible for the formation and strengthening of supramolecular assembly. The nature of the interactions and their importance are explored using the Hirshfeld surface method. The physicochemical properties of the compounds 1-3 were evaluated by UV-vis spectroscopy, fluorescence spectroscopy, and thermogravimetric analysis. According to thermal data the salts possess excellent thermal stabilities with decomposition temperatures ranging from 220 to 280 °C. Second-harmonic generation (SHG) results exposed that the picrates 1-3 were about 1.13-1.50 times greater than potassium dihydrogen phosphate (KDP). Here we also used Density functional theory (DFT) calculations in order to investigate the opto-electronic properties. The obtained theoretical results validate with available experimental data.

Surface and conductivity properties of imidazoles solutions

International Nuclear Information System (INIS)

Rogalski, Marek; Domanska, Urszula; Czyrny, Dagmara; Dyczko, Dagmara

2002-01-01

The surface tension, σ, of the solutions of benzimidazole, 2-phenylimidazole and 2,4,5-triphenylimidazole in water, or water + 10 mol% of acetonitrile, or in other solvents as well as the solubilities and conductivity of benzimidazole and 2-phenylimidazole in water in function of concentration at 298.15 K were measured. The enthalpy of fusion, or solid-solid phase transition and the melting temperatures were determined for the substances under study by the scanning calorimetry (DSC). These solutions exhibit, in a wide range of concentrations, the normal linear, or parabolic decreasing dependencies and the maximum of surface tension at very low concentrations and show the S-shaped dependencies, being in function of the initial sample, never reported before. The results were confirmed by the conductivity measurements. The results were interpreted in terms of the changing structure of the interface. It was concluded that the observed phenomena were caused by an induced nucleation of benzimidazole, 2-phenylimidazole and especially by 2,4,5-triphenylimidazole by columnar discotic structures due to the initial concentration. The surface properties of these solutions reflect the interactions of hydrophobic parts of the guest molecules adsorbed at the interface, as a result of the hydrogen bonded structure of the solution

Biofilm behavior on sulfonated poly(ether-ether-ketone) (sPEEK)

Energy Technology Data Exchange (ETDEWEB)

Montero, Juan F.D. [Center for Research on Dental Implants (CEPID), School of Dentistry (ODT), Federal University of Santa Catarina - UFSC, Florianópolis, SC 88040-900 (Brazil); Tajiri, Henrique A.; Barra, Guilherme M.O.; Fredel, Márcio C. [Department of Mechanical Engineering (EMC), Federal University of Santa Catarina (UFSC), Florianópolis, SC 88040-900 (Brazil); Benfatti, Cesar A.M.; Magini, Ricardo S. [Center for Research on Dental Implants (CEPID), School of Dentistry (ODT), Federal University of Santa Catarina - UFSC, Florianópolis, SC 88040-900 (Brazil); Pimenta, Andréa L. [Integrated Laboratories Technologies (InteLAB), Dept. Chemical Engineering (EQA), Federal University of Santa Catarina - UFSC, Florianópolis, SC 88040-970 (Brazil); Department of Biologie, Université de Cergy Pontoise, 2, Av. Adolphe Chauvin, 95302 Cergy Pontoise (France); Souza, Júlio C.M., E-mail: julio.c.m.souza@ufsc.br [Center for Research on Dental Implants (CEPID), School of Dentistry (ODT), Federal University of Santa Catarina - UFSC, Florianópolis, SC 88040-900 (Brazil); Center for Microelectromechanical Systems (CMEMS), Dept. Mechanical Engineering (DEM), Campus Azurém, 4800-058 Guimarães (Portugal)

2017-01-01

Poly(ether-ether-ketone) (PEEK) has also shown to be very attractive for incorporating therapeutic compounds thanks to a sulfonation process which modifies the material structure resulting in a sulfonated-PEEK (sPEEK). Concerning biomedical applications, the objective of this work was to evaluate the influence of different sulfonation degree of sPEEK on the biofilm growth. PEEK samples were functionalized by using sulphuric acid (98%) and then dissolved into dimethyl-sulfoxide. A dip coating technique was used to synthesize sPEEK thin films. The sulfonation degree of the materials was analyzed by FT-IR, H NMR, TG and IEC. The surfaces were characterized by scanning electron microscopy, profilometry and contact angle analyses. Subsequently, the biofilm formation on sulfonated-PEEK based on Streptococcus mutans and Enterococcus faecalis was measured by spectrophotometry, colony forming units (CFU mL{sup −1}) and SEM. Results obtained from thermal and chemical analyses showed an intensification in sulfonation degree for sPEEK at 2 and 2.5 h. The E. faecalis or S. mutans biofilm growth revealed statistically significant differences (p < 0.05) between 2 and 3 h sulfonation groups. A significant decrease (p < 0.05) in CFU mL{sup −1} was recorded for S. mutans or E. faecalis biofilm grown on 2.5 or 3 h sPEEK. Regarding the thermal-chemical and microbiologic analyses, the sulfonation degree of sPEEK ranging from 2 up to 3 h was successful capable to decrease the biofilm growth. That revealed an alternative strategy to embed anti-biofilm and therapeutic compounds into PEEK avoiding infections in biomedical applications. - Highlights: • PEEK can be dissolved to incorporate therapeutic compounds. • High sulfonation degree on sPEEK affected the biofilm growth. • The sulfonation degree must be controlled to maintain the properties of sPEEK.

Biofilm behavior on sulfonated poly(ether-ether-ketone) (sPEEK)

International Nuclear Information System (INIS)

Montero, Juan F.D.; Tajiri, Henrique A.; Barra, Guilherme M.O.; Fredel, Márcio C.; Benfatti, Cesar A.M.; Magini, Ricardo S.; Pimenta, Andréa L.; Souza, Júlio C.M.

2017-01-01

Poly(ether-ether-ketone) (PEEK) has also shown to be very attractive for incorporating therapeutic compounds thanks to a sulfonation process which modifies the material structure resulting in a sulfonated-PEEK (sPEEK). Concerning biomedical applications, the objective of this work was to evaluate the influence of different sulfonation degree of sPEEK on the biofilm growth. PEEK samples were functionalized by using sulphuric acid (98%) and then dissolved into dimethyl-sulfoxide. A dip coating technique was used to synthesize sPEEK thin films. The sulfonation degree of the materials was analyzed by FT-IR, H NMR, TG and IEC. The surfaces were characterized by scanning electron microscopy, profilometry and contact angle analyses. Subsequently, the biofilm formation on sulfonated-PEEK based on Streptococcus mutans and Enterococcus faecalis was measured by spectrophotometry, colony forming units (CFU mL −1 ) and SEM. Results obtained from thermal and chemical analyses showed an intensification in sulfonation degree for sPEEK at 2 and 2.5 h. The E. faecalis or S. mutans biofilm growth revealed statistically significant differences (p < 0.05) between 2 and 3 h sulfonation groups. A significant decrease (p < 0.05) in CFU mL −1 was recorded for S. mutans or E. faecalis biofilm grown on 2.5 or 3 h sPEEK. Regarding the thermal-chemical and microbiologic analyses, the sulfonation degree of sPEEK ranging from 2 up to 3 h was successful capable to decrease the biofilm growth. That revealed an alternative strategy to embed anti-biofilm and therapeutic compounds into PEEK avoiding infections in biomedical applications. - Highlights: • PEEK can be dissolved to incorporate therapeutic compounds. • High sulfonation degree on sPEEK affected the biofilm growth. • The sulfonation degree must be controlled to maintain the properties of sPEEK.

Mesoporous silica materials modified with alumina polycations as catalysts for the synthesis of dimethyl ether from methanol

Energy Technology Data Exchange (ETDEWEB)

Macina, Daniel; Piwowarska, Zofia; Tarach, Karolina; Góra-Marek, Kinga [Jagiellonian University, Faculty of Chemistry, Ingardena 3, 30-060 Kraków (Poland); Ryczkowski, Janusz [Maria Curie Skłodowska University, Faculty of Chemistry, Maria Curie-Skłodowska 2, 20-031 Lublin (Poland); Chmielarz, Lucjan, E-mail: chmielar@chemia.uj.edu.pl [Jagiellonian University, Faculty of Chemistry, Ingardena 3, 30-060 Kraków (Poland)

2016-02-15

Highlights: • Deposition of alumina ologoctaions on mesoporous silicas modified with surface −SO{sub 3}H groups. • Alumina aggregates generated acid properties in the silica supports. • Alumina modified SBA-15 and MCF were active and selective catalysts in DME synthesis. - Abstract: Mesoporous silica materials (SBA-15 and MCF) were used as catalytic supports for the deposition of aggregated alumina species using the method consisting of the following steps: (i) anchoring 3-(mercaptopropyl)trimethoxysilane (MPTMS) on the silica surface followed by (ii) oxidation of −SH to−SO{sub 3}H groups and then (iii) deposition of aluminum Keggin oligocations by ion-exchange method and (iv) calcination. The obtained samples were tested as catalysts for synthesis of dimethyl ether from methanol. The modified silicas were characterized with respect to the ordering of their porous structure (XRD), textural properties (BET), chemical composition (EDS, CHNS), structure ({sup 27}Al NMR, FTIR) and location of alumina species (EDX-TEM), surface acidity (NH{sub 3}-TPD, Py-FTIR) and thermal stability (TGA). The obtained materials were found to be active and selective catalysts for methanol dehydration to dimethyl ether (DME) in the MTD process (methanol-to-dimethyl ether).

Reversible uptake of molecular oxygen by heteroligand Co(II)-L-α-amino acid-imidazole systems: equilibrium models at full mass balance.

Science.gov (United States)

Pająk, Marek; Woźniczka, Magdalena; Vogt, Andrzej; Kufelnicki, Aleksander

2017-09-19

The paper examines Co(II)-amino acid-imidazole systems (where amino acid = L-α-amino acid: alanine, asparagine, histidine) which, when in aqueous solutions, activate and reversibly take up dioxygen, while maintaining the structural scheme of the heme group (imidazole as axial ligand and O 2 uptake at the sixth, trans position) thus imitating natural respiratory pigments such as myoglobin and hemoglobin. The oxygenated reaction shows higher reversibility than for Co(II)-amac systems with analogous amino acids without imidazole. Unlike previous investigations of the heteroligand Co(II)-amino acid-imidazole systems, the present study accurately calculates all equilibrium forms present in solution and determines the [Formula: see text]equilibrium constants without using any simplified approximations. The equilibrium concentrations of Co(II), amino acid, imidazole and the formed complex species were calculated using constant data obtained for analogous systems under oxygen-free conditions. Pehametric and volumetric (oxygenation) studies allowed the stoichiometry of O 2 uptake reaction and coordination mode of the central ion in the forming oxygen adduct to be determined. The values of dioxygen uptake equilibrium constants [Formula: see text] were evaluated by applying the full mass balance equations. Investigations of oxygenation of the Co(II)-amino acid-imidazole systems indicated that dioxygen uptake proceeds along with a rise in pH to 9-10. The percentage of reversibility noted after acidification of the solution to the initial pH ranged within ca 30-60% for alanine, 40-70% for asparagine and 50-90% for histidine, with a rising tendency along with the increasing share of amino acid in the Co(II): amino acid: imidazole ratio. Calculations of the share of the free Co(II) ion as well as of the particular complex species existing in solution beside the oxygen adduct (regarding dioxygen bound both reversibly and irreversibly) indicated quite significant values for the

Biodegradability of fuel-ethers in environment; Biodegradabilite des ethers-carburants dans l'environnement

Energy Technology Data Exchange (ETDEWEB)

Fayolle-Guichard, F

2005-04-01

Fuel ethers (methyl tert-butyl ether or MTBE, ethyl tert-butyl ether or ETBE and tert-amyl methyl ether or TAME have been used as gasoline additives since about twenty years in order to meet the requirements for the octane index and to limit the polluting emission in exhaust pipe gas (unburnt hydrocarbons and carbon monoxide). The high water solubility and the poor biodegradability of these compounds make them pollutants frequently encountered in aquifers. The present manuscript summarizes the knowledge concerning the biodegradability of fuel ethers obtained both at IFP and during collaborations with the Pasteur Institute (Paris), the Biotechnology Research Institute (Montreal, Canada) and the Center for Environmental Biotechnology (University of Tennessee, USA). Rhodococcus ruber IFP 2001 and Mycobacterium austroafricanum IFP 2012, two microorganisms isolated at IFP for their ability to grow, respectively, on ETBE and MTBE, were studied in order to determine the intermediates produced during MTBE and ETBE biodegradation and the enzymes required for each biodegradation step, thus allowing us to propose MTBE and ETBE catabolic pathways. A proteomic approach, from the protein induced during the degradation of ETBE or MTBE to the genes encoding these different enzymes, was carried out. The isolation of such genes is required:1) to use them for help in determining the bio-remediation capacities in polluted aquifers (DNA micro-arrays), 2) to monitor the microorganisms isolated for their degradative capacities during bio-remediation processes (fluorescent in situ hybridization or FISH) and 3) to create new tools for the detection and the quantification of ETBE or MTBE in contaminated aquifers (bio-sensor). The manuscript also describes the different ways for the adaptation of microorganisms to the presence of a xenobiotic compound. (author)

Investigation of the Linker Swing Motion in the Zeolitic Imidazolate Framework ZIF-90

KAUST Repository

Zheng, Bin; Fu, Fang; Wang, Lian Li; Yang, Limin; Zhu, Yihan; Du, Huiling

2018-01-01

The linker swing motion in the zeolitic imidazolate framework ZIF-90 is investigated by density functional theory (DFT) calculation, molecular dynamics (MD) and grand-canonical Monte Carlo (GCMC) simulations. The relation between the terminal

Sulfonated poly(ether ether ketone) membranes for electric double layer capacitors

International Nuclear Information System (INIS)

Kim, Wan Ju; Kim, Dong-Won

2008-01-01

Sulfonated poly(ether ether ketone) (S-PEEK) with different degree of sulfonation (DS) has been prepared and evaluated as a proton conducting membrane for electric double layer capacitor (EDLC). The polymer electrolytes prepared with S-PEEK membrane exhibited ionic conductivities about 1.2 x 10 -3 -4.5 x 10 -3 S cm -1 at room temperature, which depended on both soaking solvent and degree of sulfonation. The quasi-solid-state EDLCs consisted of activated carbon electrodes and S-PEEK membrane were assembled, and their electrochemical characteristics were studied by cyclic voltammetry and charge-discharge cycle tests. The effect of DS on the electrochemical performances of EDLCs has been investigated

γ-Alumina Nanoparticle Catalyzed Efficient Synthesis of Highly Substituted Imidazoles

Directory of Open Access Journals (Sweden)

Bandapalli Palakshi Reddy

2015-10-01

Full Text Available γ-Alumina nano particle catalyzed multi component reaction of benzil, arylaldehyde and aryl amines afforded the highly substituted 1,2,4,5-tetraaryl imidazoles with good to excellent yield in less reaction time under the sonication as well as the conventional methods. Convenient operational simplicity, mild conditions and the reusability of catalyst were the other advantages of this developed protocol.

Photoinduced Processes in Hydrogen Bonded System: Photodissociation of Imidazole Clusters

Czech Academy of Sciences Publication Activity Database

Poterya, Viktoriya; Profant, V.; Fárník, Michal; Šištík, L.; Slavíček, P.; Buck, U.

2009-01-01

Roč. 113, č. 52 (2009), s. 14583-14590 ISSN 1089-5639 R&D Projects: GA AV ČR KAN400400651; GA AV ČR KJB400400902; GA ČR GA203/09/0422 Institutional research plan: CEZ:AV0Z40400503 Keywords : scattering analysis * molecules * imidazole clusters Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.899, year: 2009

Etched poly(ether ether ketone) jacket stir bar with detachable dumbbell-shaped structure for stir bar sorptive extraction.

Science.gov (United States)

Zhou, Wei; Wang, Chenlu; Wang, Xuemei; Chen, Zilin

2018-06-08

Development of stir bar sorptive extraction (SBSE) device with high stability and extraction efficiency is critical and challenging by date. In this work, etched poly(ether ether ketone) (PEEK) tube with high mechanical strength and large specific surface area was used as jacket for SBSE device. By etching with concentrated sulfuric acid, the smooth outer surface of PEEK become porous with plenty of micro holes, which was beneficial for coating of sorbents and significantly improved the extraction performance. After functionalized by bio-polydopamine method, strong hydrophobic p-naphtholbenzein molecular was immobilized onto the chemical resistant PEEK surface (PNB@E-PEEK) as stationary phase. We also firstly developed a simple detachable dumbbell-shaped structure for improving the workability of PEEK jacket stir bar. The dumbbell-shaped construction can eliminate the friction between stir bar and container, and the design of detachable structure make elution can be accomplished easier with small amount of organic solvent. It was interesting that the developed detachable dumbbell-shaped PNB@E-PEEK stir bar showed exceptional stability and extraction efficiency for SBSE enrichment of multiple analytes including several Sudan dyes, triazines, polycyclic aromatic hydrocarbons (PAHs), alkaloids and flavonoid. By coupling with high performance liquid chromatography-ultraviolet detection (HPLC-UV), PNB@E-PEEK stir bar based SBSE-HPLC-UV method was applied for the analysis of common Sudan dye pollutants. The method showed low limits of detection (0.02-0.03 ng/mL), good linearity (R 2  ≥ 0.9979) and good reproducibility (relative standard deviation ≤ 7.96%). It has been successfully applied to determine three dye pollutants in tap and lake water. Copyright © 2018 Elsevier B.V. All rights reserved.

APPLICATION OF PHOTOCATALYTIC PROCESS FOR REMOVAL OF METHYL TERT-BUTYL ETHER FROM HIGHLYCONTAMINATED WATER

Directory of Open Access Journals (Sweden)

A. Mesdaghinia

2007-09-01

Full Text Available The oxygenate methyl tert-butyl ether is added to gasoline to increase the octane level and to reduce carbon monoxide and hydrocarbon emissions by vehicles. The high mobility, water solubility, and resistance to natural attenuation associated with methyl tert-butyl ether may result in contamination of ground and surface waters. In this research the degradation of aqueous methyl tert-butyl ether at relatively high concentrations was investigated by UV-vis/TiO2/H2O2 photocatalytic process. The effect of important operational parameters such as pH, amount of H2O2, catalyst loading, and irradiation time were also studied. Concentrations of methyl tert-butyl ether and intermediates such as tert-butyl formate and tert-butyl alcohol were measured over a 180 min period using a gas chromatograph equipped with flame ionization detector and combined with headspace sampler. Results showed that the time required for complete degradation increased from 30 to 180min, when the initial concentration was increased from 10 to 500mg/L. The first order rate constant for degradation of methyl tert-butyl ether from the hydroxyl radical was estimated to be 0.177 to 0.022 1/min as the concentration increased from 10 to 500mg/L. Study on the overall mineralization monitored by total organic carbon (TOC analysis showed that in the initial concentration of 100mg/L methyl tert-butyl ether, complete mineralization was obtained after 110min under UV-vis/TiO2/H2O2 photocatalytic process.

Adsorption and sequential degradation of polybrominated diphenyl ethers with zerovalent iron

International Nuclear Information System (INIS)

Peng, Yu-Huei; Chen, Mei-kuei; Shih, Yang-hsin

2013-01-01

Highlights: • A detailed analysis in the removal mechanism of PBDEs by MZVI was conducted. • 13% of DBDE and 24% of BDE-3 in average were adsorbed on the surface of MZVI. • The adsorbed PBDEs on MZVI were also confirmed by FTIR spectroscopy. • MZVI continues the reductive debromination of PBDEs even after one month. •MZVI has great longevity to adsorb and degrade PBDE in the environment. -- Abstract: The widely used flame retardants, polybrominated diphenyl ethers (PBDEs), have been regulated owing to their persistence and toxicity. However, the high and increasing accumulation amount of PBDEs in the environment raises a big concern for public safety. In this study, the removal processes of decabromodiphenyl ether (BDE-209) and monobromodiphenyl ether (BDE-3) with microscale zerovalent iron (MZVI) were investigated to get better understandings for the removal mechanism based upon adsorption and degradation. The removal kinetics of both compounds was analyzed and revealed two-step kinetics: a fast removal step at the beginning of the reaction and a follow-up slow removal step. By-products generated during the entire process followed a stepwise sequence. The content of brominated compounds on the surface of MZVI was measured. About 10–20% of BDE-209 and 15–30% of BDE-3 were adsorbed on MZVI. The adsorption of BDE-209 and BDE-3 on MZVI was confirmed through the Fourier transform infrared spectroscopy. Surface adsorption of PBDEs on MZVI dominates the removal mechanism in the beginning and further debromination with MZVI was found. Finally, about 70% of BDE-209 and 60% of BDE-3 was degraded by MZVI within about one month. Our findings provide evidences for understanding the removal mechanism of PBDEs with MZVI and its great longevity on the PBDE degradation, which can facilitate the remediation design

Promoting environmentally sound management of polybrominated diphenyl ethers in Asia.

Science.gov (United States)

Li, Jinhui; Zhao, Nana; Liu, Xue; Wu, Xiaoyang

2014-06-01

Polybrominated diphenyl ethers with persistent organic pollutant properties are required to be controlled by the Stockholm Convention. Recently, polybrominated diphenyl ether contamination has become widespread in Asia, mainly because of the disposal and recycling processes of polybrominated diphenyl ether-containing wastes. The management status, production, usage, import/export, treatment, and disposal, as well as implementation deficiencies for the environmentally sound management of polybrominated diphenyl ethers and polybrominated diphenyl ether-containing materials in ten Asian countries were investigated and assessed in this study. This information could help the participating countries implement the Stockholm Convention and could promote the regional environmentally sound management of polybrominated diphenyl ether-containing articles and products. The results obtained were as follows. (1) Most of the countries studied lacked environmental policies and regulations, or even standards of polybrominated diphenyl ether pollution management and emission control actions. Accurate data on the consumption and importation of polybrominated diphenyl ether-containing materials, however, were not available for all the participating countries. In addition, there were no special treatment or disposal systems for polybrominated diphenyl ether-containing materials, or emission-cutting measures for the treatment of waste in these countries, owing to the lack of sufficient funding or technologies. (2) The improper dismantling of e-waste is a major source of polybrominated diphenyl ether emissions in these countries. (3) Proper e-waste management could result in a breakthrough in the environmentally sound management of this major polybrominated diphenyl ether-containing material flow, and could significantly reduce polybrominated diphenyl ether emissions. Finally, based on the study results, this article puts forward some recommendations for improving the environmentally

Chemoselective Deprotection of Triethylsilyl Ethers

Science.gov (United States)

Chandra, Tilak; Broderick, William E.; Broderick, Joan B.

2009-01-01

An efficient and selective method was developed for the deprotection of triethylsilyl (TES) ethers using formic acid in methanol (5–10%) or in methylene chloride 2–5%) with excellent yields. TES ethers are selectively deprotected to the corresponding alcohols in high yields using formic acid in methanol under mild reaction conditions. Other hydroxyl protecting groups like t-butyldimethylsilyl (TBDMS) remain unaffected. PMID:20183570

Coordination compounds of metals with imidazoles and benzimidazoles. [Metals: V, Th, Mo, Cd, rare earths, etc

Energy Technology Data Exchange (ETDEWEB)

Novikova, G A; Molodkin, A K; Kukalenko, S S

1988-12-01

Methods of preparation, composition and structure of UO/sub 2//sup 2+/, Th/sup 4+/, Mo/sup 3+/, Cd/sup 2+/, Ln/sup 3+/ metal ion complexes with imidazoles and benzimidazoles are considered in reviews of native and foreign literature of up to 1985. Complexes are customarily prepared by direct interaction of ligands with inorganic salts in different organic solvents. Complex composition is defined by the nature of complexing metal and inorganic salt anion, ligand volume and basicity, as well as solvent characteristics. Effect of R substituent in imidazole and benzimidazole side chain on composition of coordination compounds is considered.

High strength, surface porous polyether-ether-ketone for load-bearing orthopaedic implants

Science.gov (United States)

Evans, Nathan T.; Torstrick, F. Brennan; Lee, Christopher S.D.; Dupont, Kenneth M.; Safranski, David L.; Chang, W. Allen; Macedo, Annie E.; Lin, Angela; Boothby, Jennifer M.; Whittingslow, Daniel C.; Carson, Robert A.; Guldberg, Robert E.; Gall, Ken

2015-01-01

Despite its widespread clinical use in load-bearing orthopaedic implants, polyether-ether-ketone (PEEK) is often associated with poor osseointegration. In this study, a surface porous PEEK material (PEEK-SP) was created using a melt extrusion technique. The porous layer thickness was 399.6±63.3 µm and possessed a mean pore size of 279.9±31.6 µm, strut spacing of 186.8±55.5 µm, porosity of 67.3±3.1%, and interconnectivity of 99.9±0.1%. Monotonic tensile tests showed that PEEK-SP preserved 73.9% of the strength (71.06±2.17 MPa) and 73.4% of the elastic modulus (2.45±0.31 GPa) of as-received, injection molded PEEK. PEEK-SP further demonstrated a fatigue strength of 60.0 MPa at one million cycles, preserving 73.4% of the fatigue resistance of injection molded PEEK. Interfacial shear testing showed the pore layer shear strength to be 23.96±2.26 MPa. An osseointegration model in the rat revealed substantial bone formation within the pore layer at 6 and 12 weeks via µCT and histological evaluation. Ingrown bone was more closely apposed to the pore wall and fibrous tissue growth was reduced in PEEK-SP when compared to non-porous PEEK controls. These results indicate that PEEK-SP could provide improved osseointegration while maintaining the structural integrity necessary for load-bearing orthopaedic applications. PMID:25463499

Efficient library synthesis of imidazoles using a multicomponent reaction and microwave irradiation

NARCIS (Netherlands)

Gelens, E.; De Kanter, F.J.J.; Schmitz, R.F.; Sliedregt, L.A.; Van Steen, B.J.; Kruse, C.G.; Leurs, R.; Groen, M.B.; Orru, R.V.A.

2006-01-01

Optimization of Radziszewski's four-component reaction employing a microwave-assisted protocol, led to a small library of 48 imidazoles with a success rate of 65% (conversion >45%). All three diversity points of the four-component reaction were varied. Aromatic and aliphatic inputs were successfully

[Early contributions from Erlangen to the theory and practice of ether and chloroform anesthesia. 1. Heyfelder's clinical trial with ether and chloroform].

Science.gov (United States)

Hintzenstern, U v; Schwarz, W

1996-02-01

The era of modern anaesthesia in Germany began on January 24th, 1847. This day, professor in ordinary Johann Ferdinand Heyfelder anaesthetized a patient with sulphuric ether in the clinic of surgery and ophthalmology of the University of Erlangen. By March 17th, 1847, Heyfelder had performed 121 surgical procedures under ether. The operations in majority were teeth-extractions, and a few more complex operations such as the treatment of a harelip or of lip cancer or the resection of the shoulder joint. Heyfelder described in detail 108 of these inhalations in a little book entitled The experiments with sulphuric ether. This monograph published in March, 1847, represents one of the first complete dissertations on sulphuric ether in the German literature. In a special chapter he analyzed the development of various physiological and psychological parameters during etherization. Heyfelder also examined blood and urine of some etherized patients and reported that he did not find any important or specific alterations. In 1847, Heyfelder was probably the first to apply salt-ether in man. After 4 administrations he concluded that salt ether acted more quickly but shorter than sulphuric ether. Advantageous were its application without problems and ease of induction. Disadvantageous were its high volatility, its price and the difficulty of getting it in a pure form. From December, 1847, on Heyfelder started to use chloroform. He was now able to perform more major operations, for example, the total resection of the hip-joint. In his book The experiments with sulphuric ether, salt ether, and chloroform he describes a great number of anaesthetic administrations using these 3 agents. In his summary Heyfelder concluded, that chloroform was undoubtly superior to sulphuric ether mainly because it was a quicker acting and longer lasting agent and leads to deeper narcosis. Moreover its application was much easier for it needed no special apparatus. However, because of its great

Molecular structure impacts on secondary organic aerosol formation from glycol ethers

Science.gov (United States)

Li, Lijie; Cocker, David R.

2018-05-01

Glycol ethers, a class of widely used solvents in consumer products, are often considered exempt as volatile organic compounds based on their vapor pressure or boiling points by regulatory agencies. However, recent studies found that glycol ethers volatilize at ambient conditions nearly as rapidly as the traditional high-volatility solvents indicating the potential of glycol ethers to form secondary organic aerosol (SOA). This is the first work on SOA formation from glycol ethers. The impact of molecular structure, specifically -OH, on SOA formation from glycol ethers and related ethers are investigated in the work. Ethers with and without -OH, with methyl group hindrance on -OH and with -OH at different location are studied in the presence of NOX and under "NOX free" conditions. Photooxidation experiments under different oxidation conditions confirm that the processing of ethers is a combination of carbonyl formation, cyclization and fragmentation. Bulk SOA chemical composition analysis and oxidation products identified in both gas and particle phase suggests that the presence and location of -OH in the carbon bond of ethers determine the occurrence of cyclization mechanism during ether oxidation. The cyclization is proposed as a critical SOA formation mechanism to prevent the formation of volatile compounds from fragmentation during the oxidation of ethers. Glycol ethers with -CH2-O-CH2CH2OH structure is found to readily form cyclization products, especially with the presence of NOx, which is more relevant to urban atmospheric conditions than without NOx. Glycol ethers are evaluated as dominating SOA precursors among all ethers studied. It is estimated that the contribution of glycol ethers to anthropogenic SOA is roughly 1% of the current organic aerosol from mobile sources. The contribution of glycol ethers to anthropogenic SOA is roughly 1% of the current organic aerosol from mobile sources and will play a more important role in future anthropogenic SOA

Palladium-Catalyzed Reductive Insertion of Alcohols into Aryl Ether Bonds

Energy Technology Data Exchange (ETDEWEB)

Wang, Meng [Institute for Integrated Catalysis, Pacific Northwest National Laboratory, P.O. Box 999 Richland WA 99352 USA; Gutiérrez, Oliver Y. [Institute for Integrated Catalysis, Pacific Northwest National Laboratory, P.O. Box 999 Richland WA 99352 USA; Camaioni, Donald M. [Institute for Integrated Catalysis, Pacific Northwest National Laboratory, P.O. Box 999 Richland WA 99352 USA; Lercher, Johannes A. [Institute for Integrated Catalysis, Pacific Northwest National Laboratory, P.O. Box 999 Richland WA 99352 USA; Department of Chemistry and Catalysis Research Institute, TU München, Lichtenbergstrasse 4 85748 Garching Germany

2018-03-06

Pd/C catalyzes C-O bond cleavage of aryl ethers (diphenyl ether and cyclohexyl phenyl ether) by methanol in H2. The aromatic C-O bond is cleaved by reductive methanolysis, which is initiated by Pd-catalyzed partial hydrogenation of one phenyl ring to form an enol ether. The enol ether reacts rapidly with methanol to form a ketal, which generates methoxycyclohexene by eliminating phenol or an alkanol. Subsequent hydrogenation leads to methoxycyclohexane.

The in vivo response to a novel Ti coating compared with polyether ether ketone: evaluation of the periphery and inner surfaces of an implant.

Science.gov (United States)

Walsh, William Robert; Pelletier, Matthew H; Christou, Chris; He, Jiawei; Vizesi, Frank; Boden, Scott D

2018-02-26

Increasing bone ongrowth and ingrowth of polyether ether ketone (PEEK) interbody fusion devices has the potential to improve clinical outcomes. This study evaluated the in vivo response of promoting new bone growth and bone apposition with NanoMetalene (NM) compared with PEEK alone in a cancellous implantation site with an empty aperture. This is a randomized control animal study. Implants and funding for this study were provided by SeaSpine (60,000 USD). Cylindrical dowels with two apertures were prepared as PEEK with a sub-micron layer of the titanium (NM). The titanium coating was applied over the entire implant (Group 1) or just the apertures (Group 2). Polyether ether ketone implants with no coating served as controls (Group 3). Implants were placed in the cancellous bone of the distal femur or proximal tibia with no graft material placed in the apertures in eight adult sheep. Bone ongrowth to the surface of the implant and ingrowth into the apertures was assessed at 4 and 8 weeks after surgery with micro-computed tomography (CT) and undecalcified histology. The apertures in the implants were notably empty in the PEEK group at 4 and 8 weeks. In contrast, new bone formation into the apertures was found in samples coated with NM even though no graft material was placed into the defect. The bone growing into the aperture tracked along the titanium layer. Apertures with the titanium coating demonstrated significantly more bone by micro-CT qualitative grading compared with PEEK with average bone coverage scores of Group 1 (NM) 1.62±0.89, Group 2 (NM apertures only) 1.62±0.77, and Group 3 (PEEK) 0.43±0.51, respectively, at 4 weeks (p<.01) and Group 1 (NM) 1.79±1.19, Group 2 (NM apertures only) 1.98±1.18, and Group 3 (PEEK) 0.69±0.87, respectively, at 8 weeks (p<.05). The amount of bone in the apertures (ingrowth) quantified using the volumetric data from the micro-CT supported an overall increase in bone volume inside the apertures with the titanium coating

Modified nanocrystal cellulose/fluorene-containing sulfonated poly(ether ether ketone ketone) composites for proton exchange membranes

Science.gov (United States)

Wei, Yingcong; Shang, Yabei; Ni, Chuangjiang; Zhang, Hanyu; Li, Xiaobai; Liu, Baijun; Men, Yongfeng; Zhang, Mingyao; Hu, Wei

2017-09-01

Highly sulfonated poly(ether ether ketone ketone)s (SFPEEKKs) with sulfonation degrees of 2.34 (SFPEEKK5) and 2.48 (SFPEEKK10) were synthesized through the direct sulfonation of a fluorene-containing poly(ether ether ketone ketone) under a relatively mild reaction condition. Using the solution blending method, sulfonated nanocrystal cellulose (sNCC)-enhanced SFPEEKK composites (SFPEEKK/sNCC) were successfully prepared for investigation as proton exchange membranes. Transmission electron microscopy showed that sNCC was uniformly distributed in the composite membranes. The properties of the composite membranes, including thermal stability, mechanical properties, water uptake, swelling ratio, oxidative stability and proton conductivity were thoroughly evaluated. Results indicated that the insertion of sNCC could contribute to water management and improve the mechanical performance of the membranes. Notably, the proton conductivity of SFPEEKK5/sNCC-5 was as high as 0.242 S cm-1 at 80 °C. All data proved the potential of SFPEEKK/sNCC composites for proton exchange membranes in medium-temperature fuel cells.

A novel poly(propylene-co-imidazole) based biofuel cell: System optimization and operation for energy generation

Energy Technology Data Exchange (ETDEWEB)

Kilic, Muhammet Samet [Department of Chemistry, Bulent Ecevit University, 67100 Zonguldak (Turkey); Korkut, Seyda, E-mail: s.korkut@beun.edu.tr [Department of Environmental Engineering, Bulent Ecevit University, 67100 Zonguldak (Turkey); Hazer, Baki [Department of Chemistry, Bulent Ecevit University, 67100 Zonguldak (Turkey)

2015-02-01

This study describes the construction of an enzymatic fuel cell comprised of novel gold nanoparticles embedded poly(propylene-co-imidazole) coated anode and cathode. Working electrode fabrication steps and operational conditions for the fuel cell have been optimized to get enhanced power output. Electrical generation capacity of the optimized cell was tested by using the municipal wastewater sample. The enzymatic fuel cell system reached to maximum power density with 1 μg and 8 μg of polymer quantity and bilirubin oxidase on electrode surface, respectively. The maximum power output was calculated to be 5 μW cm{sup −2} at + 0.56 V (vs. Ag/AgCl) in phosphate buffer (pH 7.4, 100 mM, 20 °C) by the addition of 15 mM of glucose as a fuel source. The optimized enzymatic fuel cell generated a power density of 0.46 μW cm{sup −2} for the municipal wastewater sample. Poly(propylene-co-imidazole) was easily used for a fuel cell system owing to its metallic nanoparticle content. The developed fuel cell will play a significant role for energy conversion by using glucose readily found in wastewater and in vivo mediums. - Highlights: • Gold nanoparticles provided faster electron transfer in the circuit. • The maximum power density of 5 μW cm{sup −2} was generated at + 0.56 V cell potential. • The cell can be easily operated for in vivo mediums.

Microwave sintering of poly-ether-ether-ketone (PEEK) based coatings deposited on metallic substrate

International Nuclear Information System (INIS)

Zhang, G.; Leparoux, S.; Liao, H.; Coddet, C.

2006-01-01

In this paper, the feasibility of microwave (MW) sintering PEEK (poly-ether-ether-ketone) based coatings was investigated. Three coatings were studied: pure PEEK, micron-SiC and nano-SiC particles filled (wt.10%) PEEK coatings. The results indicate that, for the two composite coatings, the SiC particles distributed in the polymer matrix, as a good MW susceptor, could be heated preferentially by MW radiation. Consequently, the polymer matrix was heated by these particles

cis-Tetrachloridobis(1H-imidazole-κN3platinum(IV

Directory of Open Access Journals (Sweden)

Vadim Yu. Kukushkin

2012-05-01

Full Text Available In the title complex, cis-[PtCl4(C3H4N22], the PtIV ion lies on a twofold rotation axis and is coordinated in a slightly distorted octahedral geometry. The dihedral angle between the imidazole rings is 69.9 (2°. In the crystal, molecules are linked by N—H...Cl hydrogen bonds, forming a three-dimensional network.

Biodegradability of fuel-ethers in environment; Biodegradabilite des ethers-carburants dans l'environnement

Energy Technology Data Exchange (ETDEWEB)

Fayolle-Guichard, F.

2005-04-01

Fuel ethers (methyl tert-butyl ether or MTBE, ethyl tert-butyl ether or ETBE and tert-amyl methyl ether or TAME have been used as gasoline additives since about twenty years in order to meet the requirements for the octane index and to limit the polluting emission in exhaust pipe gas (unburnt hydrocarbons and carbon monoxide). The high water solubility and the poor biodegradability of these compounds make them pollutants frequently encountered in aquifers. The present manuscript summarizes the knowledge concerning the biodegradability of fuel ethers obtained both at IFP and during collaborations with the Pasteur Institute (Paris), the Biotechnology Research Institute (Montreal, Canada) and the Center for Environmental Biotechnology (University of Tennessee, USA). Rhodococcus ruber IFP 2001 and Mycobacterium austroafricanum IFP 2012, two microorganisms isolated at IFP for their ability to grow, respectively, on ETBE and MTBE, were studied in order to determine the intermediates produced during MTBE and ETBE biodegradation and the enzymes required for each biodegradation step, thus allowing us to propose MTBE and ETBE catabolic pathways. A proteomic approach, from the protein induced during the degradation of ETBE or MTBE to the genes encoding these different enzymes, was carried out. The isolation of such genes is required:1) to use them for help in determining the bio-remediation capacities in polluted aquifers (DNA micro-arrays), 2) to monitor the microorganisms isolated for their degradative capacities during bio-remediation processes (fluorescent in situ hybridization or FISH) and 3) to create new tools for the detection and the quantification of ETBE or MTBE in contaminated aquifers (bio-sensor). The manuscript also describes the different ways for the adaptation of microorganisms to the presence of a xenobiotic compound. (author)

Polyether ether ketone encased monolith frits made of polyether ether ketone tubing with a 0.25 mm opening resulting in an improved separation performance in liquid chromatography.

Science.gov (United States)

Park, Sin Young; Cheong, Won Jo

2016-05-01

Tiny polyether ether ketone encased monolith frits have been prepared by modified catalytic sulfonation of the inner surface of polyether ether tubing (1.6 mm od, 0.25 mm id) followed by modified formation of organic monolith and cutting of the tubing into slices. The frit was placed below the central hole of the column outlet union and supported by a combination of a silica capillary (0.365 mm od, 0.05 mm id) and a polyether ether ketone sleeve (1.6 mm od, 0.38 mm id) tightened with a nut and a ferrule when the column was packed to prevent sinking of the frit element into the union hole (0.25 mm opening) otherwise. The column packed this way with the frits investigated in this study has shown better separation performance owing to the reduced frit volume in comparison to the column packed with a commercial stainless-steel screen frit. This study establishes the strategy of disposable microcolumns in which cheap disposable frits are used whenever the column is re-packed to yield columns of even better chromatographic performance than the columns with commercial frits. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Understanding reactivity of two newly synthetized imidazole derivatives by spectroscopic characterization and computational study

Science.gov (United States)

Hossain, Mossaraf; Thomas, Renjith; Mary, Y. Sheena; Resmi, K. S.; Armaković, Stevan; Armaković, Sanja J.; Nanda, Ashis Kumar; Vijayakumar, G.; Van Alsenoy, C.

2018-04-01

Two newly synthetized imidazole derivatives (1-(4-methoxyphenyl)-4,5-dimethyl-1H-imidazole-2-yl acetate (MPDIA) and 1-(4-bromophenyl)-4,5-dimethyl-1H-imidazole-2-yl acetate (BPDIA)) have been prepared by solvent-free synthesis pathway and their specific spectroscopic and reactive properties have been discussed based on combined experimental and computational approaches. Aside of synthesis, experimental part of this work included measurements of IR, FT-Raman and NMR spectra. All of the aforementioned spectra were also obtained computationally, within the framework of density functional theory (DFT) approach. Additionally, DFT calculations have been used in order to investigate local reactivity properties based on molecular orbital theory, molecular electrostatic potential (MEP), average local ionization energy (ALIE), Fukui functions and bond dissociation energy (BDE). Molecular dynamics (MD) simulations have been used in order to obtain radial distribution functions (RDF), which were used for identification of the atoms with pronounced interactions with water molecules. MEP showed negative regions are mainly localized over N28, O29, O35 atoms, it is represent with red colour in rainbow color scheme for MPDIA and BPDIA (which are most reactive sites for electrophilic attack). The first order hyperpolarizabilities of MPDIA and BPDIA are 20.15 and 6.10 times that of the standard NLO material urea. Potential interaction with antihypertensive protein hydrolase.

Actinide/crown ether chemistry

International Nuclear Information System (INIS)

Benning, M.M.

1988-01-01

A structural survey of actinide/crown ether compounds was conducted in order to investigate the solid state chemistry of these complexes. Several parameters - the metal size, crown type, counterion, solvent systems and reaction and crystallization conditions - were varied to correlate their importance in complexation. Under atmospheric conditions, two types of complexes were isolated, those containing only hydrogen-bonded crown interactions and instances where the crown interacts directly with the metal center. In both cases, water seems to play a very important role. When coordinated to the metal, water molecules exhibit the necessary donor properties required for the formation of hydrogen-bonded contacts. The water molecules also provide fierce competition with the crown ethers for metal-binding sites and in most cases prohibit the formation of complexes in which direct metal-ligand association exists. The results of this study indicate that direct interaction between the metal atoms and the crown ethers, in the presence of water, can only occur with polyether conformations which limit the steric replusions within the metal coordination sphere

Construction, Structural Diversity and Properties of Five Coordination Polymers Based on 5-Nitroisophthalate and Bis(imidazole) Linkers

Science.gov (United States)

Arıcı, Mürsel

2018-06-01

Five coordination polymers, namely, [Cd(μ3-5-nip)(μ-obix)]n (1), [Co(μ3-5-nip)(μ-obix)]n (2), [Zn(μ-5-nip)(μ-obix)]n (3 and 4) and [Cd(μ-5-nip)(μ-bisobix)]n (5) (5-nip: 5-nitroisophthalate, obix: 1,2-bis(imidazol-1ylmethyl)benzene, bisobix: 1,2-bis(2-isopropylimidazol-1ylmethyl)benzene) were hydrothermally synthesized and characterized by IR spectroscopy, elemental analysis, single crystal and powder X-ray diffraction and thermal analysis (TG/DTA). X-ray results showed that the complexes displayed structural diversity depending on metal ions and conformations of bis(imidazole) linkers. Complexes 1 and 2 were 1D structures and obix ligand displayed cis-conformation. Complexes 3 and 4 exhibited 2D and 3D structures with same components depending on obix conformation. In complex 5, 3D+3D→3D interpenetrated structure was obtained with dia topology when bisobix having sterically hindered groups on imidazole rings was used. Moreover, thermal, photoluminescence and optical properties of the complexes were also investigated.

Stacking Faults and Mechanical Behavior beyond the Elastic Limit of an Imidazole-Based Metal Organic Framework: ZIF-8.

Science.gov (United States)

Hegde, Vinay I; Tan, Jin-Chong; Waghmare, Umesh V; Cheetham, Anthony K

2013-10-17

We determine the nonlinear mechanical behavior of a prototypical zeolitic imidazolate framework (ZIF-8) along two modes of mechanical failure in response to tensile and shear forces using first-principles simulations. Our generalized stacking fault energy surface reveals an intrinsic stacking fault of surprisingly low energy comparable to that in copper, though the energy barrier associated with its formation is much higher. The lack of vibrational spectroscopic evidence for such faults in experiments can be explained with the structural instability of the barrier state to form a denser and disordered state of ZIF-8 seen in our analysis, that is, large shear leads to its amorphization rather than formation of faults.

Rearrangements of Cycloalkenyl Aryl Ethers

Directory of Open Access Journals (Sweden)

Mercedesz Törincsi

2016-04-01

Full Text Available Rearrangement reactions of cycloalkenyl phenol and naphthyl ethers and the acid-catalyzed cyclization of the resulting product were investigated. Claisen rearrangement afforded 2-substituted phenol and naphthol derivatives. Combined Claisen and Cope rearrangement resulted in the formation of 4-substituted phenol and naphthol derivatives. In the case of cycloocthylphenyl ether the consecutive Claisen and Cope rearrangements were followed by an alkyl migration. The mechanism of this novel rearrangement reaction is also discussed.

Ether: Bitcoin's competitor or ally?

OpenAIRE

Bouoiyour, Jamal; Selmi, Refk

2017-01-01

Although Bitcoin has long been dominant in the crypto scene, it is certainly not alone. Ether is another cryptocurrency related project that has attracted an intensive attention because of its additional features. This study seeks to test whether these cryptocurrencies differ in terms of their volatile and speculative behaviors, hedge, safe haven and risk diversification properties. Using different econometric techniques, we show that a) Bitcoin and Ether are volatile and relatively more resp...

Spectral, biological screening of metal chelates of chalcone based Schiff bases of N-(3-aminopropyl) imidazole.

Science.gov (United States)

Kalanithi, M; Rajarajan, M; Tharmaraj, P; Sheela, C D

2012-02-15

Tridentate chelate complexes of Co(II), Ni(II), Cu(II) and Zn(II) have been synthesized from the chalcone based ligands 2-[1-(3-(1H-imidazol-1-yl)propylimino)-3-(phenylallyl)]phenol(HL(1)), 2-[1-(3-(1H-imidazol-1-yl)propylimino)-3-p-tolylallyl]phenol(HL(2)), 2-[1-(3-(1H-imidazol-1-yl)propylimino)-3-4-nitrophenylallyl]phenol(HL(3)). Microanalytical data, UV-vis spectrophotometric method, magnetic susceptibility measurements, IR, 1H NMR, Mass, and EPR techniques were used to characterize the structure of chelates. The electronic absorption spectra and magnetic susceptibility measurements suggest a distorted square planar geometry for the copper(II) ion. The other metal complexes show distorted tetrahedral geometry. The coordination of the ligands with metal(II) ions was further confirmed by solution fluorescence spectrum. The antimicrobial activity of the ligands and metal(II) complexes against the species Pseudomonas aeruginosa, Escherichia coli, Staphylococcus aureus, Bacillus subtilis, Candida albigans and Aspergillus niger has been carried out and compared. The electrochemical behavior of copper(II) complex is studied by cyclic voltammetry. Copyright © 2011 Elsevier B.V. All rights reserved.

Catalytic hydroprocessing of lignin β-O-4 ether bond model compound phenethyl phenyl ether over ruthenium catalysts

NARCIS (Netherlands)

Gomez-Monedero, B.; Faria, J.; Bimbela, F.; Ruiz, M.P.

2017-01-01

The catalytic hydroprocessing of phenethyl phenyl ether (PPE), a model compound of one of the most significant ether linkages within lignin structure, β-O-4, has been studied. Reactions were carried out using two ruthenium-based catalysts, supported on different materials: 3.8 wt.% Ru/C and 3.9 wt.%

(Diethyl ether{1-[2-(1-methyl-1H-imidazol-2-yl-κN3-1,1-diphenylethyl]-(1,2,3,3a,7a-η-indenyl}lithium(I

Directory of Open Access Journals (Sweden)

Maxim V. Borzov

2009-05-01

Full Text Available In the title compound, [Li(C27H23N2(C4H10O], the Li atom possesses a nearly planar trigonal coordination environment (assuming the cyclopentadienyl ring of the indenyl group occupies one coordination place. The diethyl ether ligand adopts a nearly planar W-type conformation.

Radiolabeled cholesteryl ethers: A need to analyze for biological stability before use

Directory of Open Access Journals (Sweden)

Denny Joseph Manual Kollareth

2018-03-01

Full Text Available Radiolabeled cholesteryl ethers are widely used as non-metabolizable tracers for lipoproteins and lipid emulsions in a variety of in vitro and in vivo experiments. Since cholesteryl ethers do not leave cells after uptake and are not hydrolyzed by mammalian cellular enzymes, these compounds can act as markers for cumulative cell uptakes of labeled particles. We have employed [3H]cholesteryl oleoyl ether to study the uptake and distribution of triglyceride-rich emulsion particles on animal models. However, questionable unexpected results compelled us to analyze the stability of these ethers. We tested the stability of two commercially available radiolabeled cholesteryl ethers - [3H]cholesteryl oleoyl ether and [3H]cholesteryl hexadecyl ether from different suppliers, employing in vitro, in vivo and chemical model systems. Our results show that, among the two cholesteryl ethers tested, one ether was hydrolyzed to free cholesterol in vitro, in vivo and chemically under alkaline hydrolyzing agent. Free cholesterol, unlike cholesteryl ether, can then re-enter the circulation leading to confounding results. The other ether was not hydrolyzed to free cholesterol and remained as a stable ether. Hence, radiolabeled cholesteryl ethers should be analyzed for biological stability before utilizing them for in vitro or in vivo experiments. Keywords: Cholesteryl ether, J774 A2 macrophages, Soy oil emulsion, Thin layer chromatography, triDHA emulsion

Crystal structure of 2-diazo-imidazole-4,5-dicarbo-nitrile.

Science.gov (United States)

Parrish, Damon A; Kramer, Stephanie; Windler, G Kenneth; Chavez, David E; Leonard, Philip W

2015-07-01

In the title compound, C5N6, all the atoms are approximately coplanar. In the crystal, mol-ecules are packed with short contact distances of 2.885 (2) (between the diazo N atom connected to the ring and a cyano N atom on a neighboring mol-ecule) and 3.012 (2) Å (between the terminal diazo N atom and an N atom of a neighboring imidazole ring).

Radiolabeled cholesteryl ethers: A need to analyze for biological stability before use.

Science.gov (United States)

Manual Kollareth, Denny Joseph; Chang, Chuchun L; Hansen, Inge H; Deckelbaum, Richard J

2018-03-01

Radiolabeled cholesteryl ethers are widely used as non-metabolizable tracers for lipoproteins and lipid emulsions in a variety of in vitro and in vivo experiments. Since cholesteryl ethers do not leave cells after uptake and are not hydrolyzed by mammalian cellular enzymes, these compounds can act as markers for cumulative cell uptakes of labeled particles. We have employed [ 3 H]cholesteryl oleoyl ether to study the uptake and distribution of triglyceride-rich emulsion particles on animal models. However, questionable unexpected results compelled us to analyze the stability of these ethers. We tested the stability of two commercially available radiolabeled cholesteryl ethers - [ 3 H]cholesteryl oleoyl ether and [ 3 H]cholesteryl hexadecyl ether from different suppliers, employing in vitro , in vivo and chemical model systems. Our results show that, among the two cholesteryl ethers tested, one ether was hydrolyzed to free cholesterol in vitro , in vivo and chemically under alkaline hydrolyzing agent. Free cholesterol, unlike cholesteryl ether, can then re-enter the circulation leading to confounding results. The other ether was not hydrolyzed to free cholesterol and remained as a stable ether. Hence, radiolabeled cholesteryl ethers should be analyzed for biological stability before utilizing them for in vitro or in vivo experiments.

High-strength, surface-porous polyether-ether-ketone for load-bearing orthopedic implants.

Science.gov (United States)

Evans, Nathan T; Torstrick, F Brennan; Lee, Christopher S D; Dupont, Kenneth M; Safranski, David L; Chang, W Allen; Macedo, Annie E; Lin, Angela S P; Boothby, Jennifer M; Whittingslow, Daniel C; Carson, Robert A; Guldberg, Robert E; Gall, Ken

2015-02-01

Despite its widespread clinical use in load-bearing orthopedic implants, polyether-ether-ketone (PEEK) is often associated with poor osseointegration. In this study, a surface-porous PEEK material (PEEK-SP) was created using a melt extrusion technique. The porous layer was 399.6±63.3 μm thick and possessed a mean pore size of 279.9±31.6 μm, strut spacing of 186.8±55.5 μm, porosity of 67.3±3.1% and interconnectivity of 99.9±0.1%. Monotonic tensile tests showed that PEEK-SP preserved 73.9% of the strength (71.06±2.17 MPa) and 73.4% of the elastic modulus (2.45±0.31 GPa) of as-received, injection-molded PEEK. PEEK-SP further demonstrated a fatigue strength of 60.0 MPa at one million cycles, preserving 73.4% of the fatigue resistance of injection-molded PEEK. Interfacial shear testing showed the pore layer shear strength to be 23.96±2.26 MPa. An osseointegration model in the rat revealed substantial bone formation within the pore layer at 6 and 12 weeks via microcomputed tomography and histological evaluation. Ingrown bone was more closely apposed to the pore wall and fibrous tissue growth was reduced in PEEK-SP when compared to non-porous PEEK controls. These results indicate that PEEK-SP could provide improved osseointegration while maintaining the structural integrity necessary for load-bearing orthopedic applications. Copyright © 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Numerical investigation on the effect of injection pressure on the internal flow characteristics for diethyl ether, dimethyl ether and diesel fuel injectors using CFD

Directory of Open Access Journals (Sweden)

Vijayakumar Thulasi

2011-01-01

Full Text Available The spray characteristics of the diesel fuel are greatly affected by the cavitation formed inside the injector due to the high pressure differential across the nozzle. Many researchers across the globe are exploring the potential of using diethyl ether and dimethyl ether as an alternate for diesel fuel to meet the strict emission norms. Due to the variation in the fuel properties the internal flow characteristics in injectors for ether fuels are expected to be different from that of the diesel fuel. In this paper computational technique is used to study and compare the internal flow characteristics of diethyl ether, dimethyl ether and diesel fuel. The two phase flow model considering the fuel as a mixture of liquid and vapor is adopted for the simulation study. The injection pressure is varied from 100 to 400 bar and the flow characteristics of all three fuels are simulated and compared. Results indicate that all three fuels have distinct cavitating patterns owing to different property values. The dimethyl ether is found to be more cavitating than diesel and diethyl ether fuels as expected. The mass of fuel injected are found to be decreasing for the ether fuels when compared with diesel fuel at all injection pressures.

Effects of Surface Treatments of Montmorillonite Nanoclay on Cure Behavior of Diglycidyl Ether of Bisphenol A Epoxy Resin

International Nuclear Information System (INIS)

Tcherbi-Narteh, A.; Hosur, M.V.; Triggs, E.; Jelaani, S.

2013-01-01

Diglycidyl ether of Bisphenol A (DGEBA) based SC-15 epoxy resin was modified with three different commercially available montmorillonite (MMT) nanoclay: Nanomer I.28E and Cloisite 10A and 30B. Cure behavior of nanocomposites was studied using a variety of techniques. Primary focus of this study was to investigate influence of different surface modifications of MMT nanoclay on rheological properties and cure behavior of SC-15 epoxy resin. By adding MMT to SC-15 epoxy resin, chemistry of the epoxy is altered leading to changes in rheological properties and ultimately enthalpy and activation energy of reactions. Addition of Nanomer I.28E delayed gelation, while Cloisite 10A and 30B accelerated gelation, regardless of the curing temperature. Activation energy of reaction was lower with the addition of Nanomer I.28E and Cloisite 10A and higher for Cloisite 30B compared to neat SC-15 epoxy composite.

AIRBORNE POLYBROMINATED DIPHENYL ETHERS IN A COMPUTER CLASSROOM OF COLLEGE IN TAIWAN

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F. H. Chang ، C. R. Yang ، C. Y. Tsai ، W. C. Lin

2009-04-01

Full Text Available This study characterized the airborne exposure of students to thirty polybrominated diphenyl ether congeners inside and outside a computer classroom in a southern Taiwan college. Arithmetic mean values of total indoor and outdoor polybrominated diphenyl ether concentrations were 125.0 pg/m3 (89.8 to 203.9 pg/m3 and 110.3 pg/m3 (83.5 to 157.0 pg/m3, respectively. Total indoor polybrominated diphenyl ether concentrations were one order of magnitude lower than those detected in homes in Birmingham, United Kingdom and in Ottawa, Canada but were several times higher than those measured in the ambient air in Ottawa, Canada and from the Bohai Sea to the Arctic. The five highest indoor concentrations of polybrominated diphenyl ether congeners were decabromodiphenyl ether (23.0 pg/m3, 4,4’-dibromodiphenyl ether (15.9 pg/m3, 2,2’,3,4,4’,5,5’,6-octabromodiphenyl ether (10.6 pg/m3, 2,4-dibromodiphenyl ether (10.3 pg/m3 and 2,2’,3,4,4’,5’,6-heptabromodiphenyl ether (10.0 pg/m3. Although indoor and outdoor total polybrominated diphenyl ether concentrations did not significantly differ, the indoor concentrations of 2,4-dibromodiphenyl ether, 2,2’,4-tribromodiphenyl ether, 2,4,4’-tribromodiphenyl ether, 2,2’,4,5’-tetrabromodiphenyl ether and 2,3’,4’,6-tetrabromodiphenyl ether were significantly higher than their outdoor concentrations. This study suggests the following measures: 1 to increase the air exchange rate and open classroom doors and windows for several minutes before classes to reduce indoor PBDE concentrations; 2 to reduce polybrominated diphenyl ether emissions from new devices, it’s better to use computer-related products that meet the Restriction of Hazardous Substances Directive adopted by the European Union.

Thermally reversible cross-linked poly(ether-urethanes

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V. Gaina

2013-07-01

Full Text Available Cross-linked poly(ether-urethanes were prepared by Diels-Alder (DA reaction of the furan-containing poly(ether-urethane to bismaleimides and showed thermal reversibility evidenced by differential scanning calorimetry and attenuated total reflectance in conjunction with Fourier transform infrared spectroscopy (ATR-FTIR. The furan-containing poly(ether-urethanes were synthesized by the polyaddition reaction of 1,6-hexamethylene diisocyanate (HMDI or 4,4'- dibenzyl diisocyanate (DBDI to poly(tetramethylene ether glycol (PTMEG having Mn = 250, 650, 1000, 1500 and 2000 and 2-[N,N-bis(2-methyl-2-hydroxyethylamino]furfuryl as chain extender by the solution prepolymer method. The molar ratio of isocyanate: PTMEG:chain extender varied from 2:1:1 to 4:1:3, which produces a molar concentration of furyl group ranging between 3.65•10–4 and 1.25•10–3 mol/g.

Metal-containing Complexes of Lactams, Imidazoles, and Benzimidazoles and Their Biological Activity

Science.gov (United States)

Kukalenko, S. S.; Bovykin, B. A.; Shestakova, S. I.; Omel'chenko, A. M.

1985-07-01

The results of the latest investigations of the problem of the synthesis of metal-containing complexes of lactams, imidazoles, and benzimidazoles, their structure, and their stability in solutions are surveyed. Some data on their biological activity (pesticide and pharmacological) and the mechanism of their physiological action are presented. The bibliography includes 190 references.

Thermal Stability of Sulfonated Poly(Ether Ether Ketone) Films: on the Role of Protodesulfonation

OpenAIRE

Koziara, Beata; Kappert, Emiel; Ogieglo, Wojciech; Nijmeijer, Dorothea C.; Hempenius, Mark A.; Benes, Nieck Edwin

2016-01-01

Thin film and bulk, sulfonated poly(ether ether ketone) (SPEEK) have been subjected to a thermal treatment at 160–250 °C for up to 15 h. Exposing the films to 160 °C already causes partial desulfonation, and heating to temperatures exceeding 200 °C results in increased conjugation in the material, most likely via a slight cross-linking by H-substitution. It is well-known that the sulfonate proton plays a major role in the desulfonation reactions, and exchanging the protons with other cations ...

Dimethyl ether production from methanol and/or syngas

Science.gov (United States)

Dagle, Robert A; Wang, Yong; Baker, Eddie G; Hu, Jianli

2015-02-17

Disclosed are methods for producing dimethyl ether (DME) from methanol and for producing DME directly from syngas, such as syngas from biomass. Also disclosed are apparatus for DME production. The disclosed processes generally function at higher temperatures with lower contact times and at lower pressures than conventional processes so as to produce higher DME yields than do conventional processes. Certain embodiments of the processes are carried out in reactors providing greater surface to volume ratios than the presently used DME reactors. Certain embodiments of the processes are carried out in systems comprising multiple microchannel reactors.

α-Diazo oxime ethers for N-heterocycle synthesis.

Science.gov (United States)

Choi, Subin; Ha, Sujin; Park, Cheol-Min

2017-06-01

This Feature Article introduces the preparation and synthetic utility of α-diazo oxime ethers. α-Oximino carbenes are useful synthons for N-heterocycles, and can be easily prepared from α-diazo oxime ethers as precursors. We begin with the preparation of α-diazo oxime ethers and their application in [3+2] cycloaddition. It turns out that the nature of metals bound to carbenes plays a crucial role in modulating the reactivity of α-oximino carbenes, in which copper carbenes smoothly react with enamines, whereas the less reactive enol ethers and nitriles require gold carbenes. In Section 3.2, a discussion on N-O and C-H bond activation is presented. Carbenes derived from diazo oxime ethers show unique reactivity towards N-O and C-H bond activation, in which the proximity of the two functionalities, carbene and oxime ether, dictates the preferred reaction pathways toward pyridines, pyrroles, and 2H-azirines. In Section 3.3, the development of tandem reactions based on α-diazo oxime ethers is discussed. The nature of carbenes in which whether free carbenes or metal complexes are involved dissects the pathway and forms different types of 2H-azirines. The 2H-azirine formation turned out to be an excellent platform for the tandem synthesis of N-heterocycles including pyrroles and pyridines. In the last section, we describe the electrophilic activation of 2H-azirines with vinyl carbenes and oximino carbenes. The resulting azirinium species undergo rapid ring expansion rearrangements to form pyridines and pyrazines.

Imidazole as a pH Probe: An NMR Experiment for the General Chemistry Laboratory

Science.gov (United States)

Hagan, William J., Jr.; Edie, Dennis L.; Cooley, Linda B.

2007-01-01

The analysis describes an NMR experiment for the general chemistry laboratory, which employs an unknown imidazole solution to measure the pH values. The described mechanism can also be used for measuring the acidity within the isolated cells.

Antibacterial activity of synthesized 2,4,5-trisubstituted imidazole derivatives

Digital Repository Service at National Institute of Oceanography (India)

Khan, M.S.; Siddiqui, S.A.; Siddiqui, M.S.R.A.; Goswami, U.; Srinivasan, K.V.; Khan, M.I.

release or inhibiting the p38 MAP kinase (1), anti-allergic activity (2) and analgesic activity (3). They are also sensitizers of multidrug-resistant cancer cells (4), pesticides (5), antibiotics (6) or sodium-channel mod- ulators (7). Some imidazole... (ATCC 25922), Klebsiella pneumoniae (ATCC 13883), Pseudomonas aeruginosa (ATCC 27853) and Serratia morganii (ATCC 31665), obtained from Goa Medical college, Goa, India, grown to mid-logarithmic phase were harvested by centrifu- gation, washed with 10 m...

Synthesis and Antibacterial Activities of New Metronidazole and Imidazole Derivatives

Directory of Open Access Journals (Sweden)

Abdul Jabar Kh. Atia

2009-07-01

Full Text Available New imidazole ring derivatives comprising 1,3-oxazoline, Schiff's bases, thiadiazole, oxadiazole and 1,2,4-triazole moieties are reported. 3-Aminobiimidazol-4-one compounds 7a-c were synthesized by the reaction of compounds 6a-c with hydrazine hydrate. Biimidazole esters 9a-c were converted into biimidazole hydrazide esters 10a-c. Compounds 7a-c and 10a-c were converted into a variety of derivatives.

High-performance polyamide thin-film-nanocomposite reverse osmosis membranes containing hydrophobic zeolitic imidazolate framework-8

KAUST Repository

Duan, Jintang; Pan, Yichang; Pacheco Oreamuno, Federico; Litwiller, Eric; Lai, Zhiping; Pinnau, Ingo

2015-01-01

A hydrophobic, hydrothermally stable metal-organic framework (MOF) - zeolitic imidazolate framework-8 (ZIF-8) was successfully incorporated into the selective polyamide (PA) layer of thin-film nanocomposite (TFN) membranes for water desalination

Anti-solvent surface engineering via diethyl ether to enhance the photovoltaic conversion efficiency of perovskite solar cells to 18.76%

Science.gov (United States)

Gao, Yanbo; Yang, Lili; Wang, Fengyou; Sui, Yingrui; Sun, Yunfei; Wei, Maobin; Cao, Jian; Liu, Huilian

2018-01-01

A quick and repeatable fabrication of compact CH3NH3PbI3 film was achieved by the anti-solvent method which consists of the one-step deposition to the CH3NH3PbI3 film and quickly exposition to the anti-solvent of diethyl ether. The morphology, crystalline quality and properties of the CH3NH3PbI3 film were found to be extraordinary influenced by the adding amount of diethyl ether. Accordingly, the native relationship between the crystal quality of perovskite films and solar cells was revealed. The CH3NH3PbI3 film by adding optimized 600 μL diethyl ether delivered the best power conversion efficiency (PCE) of 18.76% and average PCE of 18.41% with remarkable reproducibility. These results provide an approach to fabricate the high-quality perovskite film and encourage the researchers to further improve the PCE of perovskite solar cells from the aspect of the fabrication process.

Efficient adsorptive removal of Congo red from aqueous solution by synthesized zeolitic imidazolate framework-8

Directory of Open Access Journals (Sweden)

Canlan Jiang

2016-10-01

Full Text Available Dyes exposure in aquatic environment creates risks to human health and biota due to their intrinsic toxic mutagenic and carcinogenic characteristics. In this work, a metal-organic frameworks materials, zeolitic imidazolate framework-8 (ZIF-8, was synthesized through hydrothermal reaction for the adsorptive removal of harmful Congo red (CR from aqueous solution. Results showed that the maximum adsorption capacity of CR onto ZIF-8 was ultrahigh as 1250 mg g−1. Adsorption behaviors can be successfully fitted by the pseudo-second order kinetic model and the Langmuir isotherm equation. Solution conditions (pH condition and the co-exist anions may influent the adsorption behaviors. The adsorption performance at various temperatures indicated the process was a spontaneous and endothermic adsorption reaction. The enhanced adsorption capacity was determined due to large surface area of ZIF-8 and the strong interactions between surface groups of ZIF-8 and CR molecules including the electrostatic interaction between external active sites Zn−OH on ZIF-8 -and −SO3 or –N=N– sites in CR molecule, and the π–π interaction.

Dimethyl ether as a drift-chamber gas

International Nuclear Information System (INIS)

Bari, G.; Basile, M.; Bonvicini, G.; Cara Romeo, G.; Casaccia, R.; Cifarelli, L.; Cindolo, F.; Contin, A.; D'Ali, G.; Del Papa, C.; Focardi, S.; Iacobucci, G.; Maccarrone, G.; Massam, T.; Motta, F.; Nania, R.; Palmonari, F.; Prisco, G.; Sartorelli, G.; Susinno, G.; Votano, L.; Zichichi, A.; Istituto Nazionale di Fisica Nucleare, Bologna; European Organization for Nuclear Research, Geneva; Istituto Nazionale di Fisica Nucleare, Frascati; Michigan Univ., Ann Arbor; Palermo Univ.

1986-01-01

We have continued the testing of dimethyl ether as a drift-chamber gas in order to improve the understanding of its properties. In particular, we report on measurement accuracy, on systematic effects, and some preliminary data on the ageing of a detector filled with dimethyl ether. (orig.)

Process for making propenyl ethers and photopolymerizable compositions containing them

Science.gov (United States)

Crivello, James V.

1996-01-01

Propenyl ether monomers of formula V A(OCH.dbd.CHCH.sub.3).sub.n wherein n is an integer from one to six and A is selected from cyclic ethers, polyether and alkanes are disclosed. The monomers are readily polymerized in the presence of cationic photoinitiators, when exposed to actinic radiation, to form poly(propenyl ethers) that are useful for coatings, sealants, varnishes and adhesives. Compositions for preparing polymeric coatings comprising the compounds of formula V together with particular cationic photoinitiators are also disclosed, as are processes for making the monomers from allyl halides and readily available alcohols. The process involves rearranging the resulting allyl ethers to propenyl ethers.

RATE CONSTANTS FOR THE REACTIONS OF OH RADICALS AND CL ATOMS WITH DI-N-PROPYL ETHER AND DI-N-BUTYL ETHER AND THEIR DEUTERATED ANALOGS. (R825252)

Science.gov (United States)

Using relative rate methods, rate constants for the gas-phase reactions of OH radicals and Cl atoms with di-n-propyl ether, di-n-propyl ether-d14, di-n-butyl ether and di-n-butyl ether-d18 have been measured at 296 ? 2 K and atmos...

Mitochondria Targeted Nanoscale Zeolitic Imidazole Framework-90 for ATP Imaging in Live Cells.

Science.gov (United States)

Deng, Jingjing; Wang, Kai; Wang, Ming; Yu, Ping; Mao, Lanqun

2017-04-26

Zeolitic imidazole frameworks (ZIFs) are an emerging class of functional porous materials with promising biomedical applications such as molecular sensing and intracellular drug delivery. We report herein the first example of using nanoscale ZIFs (i.e., ZIF-90), self-assembled from Zn 2+ and imidazole-2-carboxyaldehyde, to target subcellular mitochondria and image dynamics of mitochondrial ATP in live cells. Encapsulation of fluorescent Rhodamine B (RhB) into ZIF-90 suppresses the emission of RhB, while the competitive coordination between ATP and the metal node of ZIF-90 dissembles ZIFs, resulting in the release of RhB for ATP sensing. With this method, we are able to image mitochondrial ATP in live cells and study the ATP level fluctuation in cellular glycolysis and apoptosis processes. The strategy reported here could be further extended to tune nanoscale ZIFs inside live cells for targeted delivery of therapeutics to subcellular organelles for advanced biomedical applications.

Synthesis, spectroscopic, computational (DFT/B3LYP), AChE inhibition and antioxidant studies of imidazole derivative

Science.gov (United States)

Ahmad, Faheem; Alam, Mohammad Jane; Alam, Mahboob; Azaz, Shaista; Parveen, Mehtab; Park, Soonheum; Ahmad, Shabbir

2018-01-01

The present study reports the synthesis and evaluation of biological properties of 3a,8a-dihydroxy-8-oxo-1,3,3a,8a-tetrahydroindeno[1,2-d]imidazol-2(1H)-iminium chloride (3). The structure was confirmed by the FTIR, NMR, MS, CHN microanalysis and X-ray crystallographic analysis. Quantum chemical calculations have been performed at B3LYP-D3/6-311++G(d,p) level of theory to study the molecular geometry, IR, (1H and 13C) NMR, UV/Vis spectra and other molecular parameters of the asymmetric unit of crystal of imidazole compound (3). An empirical dispersion correction to hybrid functional (B3LYP-D3) has been incorporated in the present calculations due to presence of non-covalent interaction, Cl⋯H-O, in the present compound. The remarkable agreement has been observed between theoretical data and those measured experimentally. Moreover, the Hirshfeld analysis was carried out to ascertain the secondary interactions and associated 2D fingerprint plots. The synthesized imidazole derivative showed promising antioxidant property and inhibitory activity against acetylcholinesterase (AChE). Molecular docking was also performed in order to explain in silico antioxidant studies and to ascertain the probable binding mode of compound with the amino acid residues of protein.

Selective crystallization of cations with crown ethers

International Nuclear Information System (INIS)

Heffels, Dennis Egidius

2014-01-01

The aim of this work was to study the selectivity and preferences of the incorporation of differently sized cations in the cavities of various crown ethers and the characterization of the resulting compounds. The coordination preferences of crown ethers with different cavities have long been known, and the impact of other effects on the structure formation have increasingly become the focus of attention. In this work a comparative overview of the coordination preferences depending on various factors was undertaken. The focus was mainly on the variation of the cavity of the crown ether in the presence of differently sized cations. In addition, the effects of the solvent and differently coordinating anions have been investigated. Within the framework of this work, basic coordination preferences could be detected with rare earth nitrates, which are affected particularly by the choice of the solvent. The formation of different types of structures could be controlled by varying the conditions such that the incorporation of the cation in the cavity of the crown ether was influenced and the formation of a particular type of structure can be influenced partly by the choice of solvent. In this case no direct preferences for the incorporation into the cavity of the crown ether in relation to the cation size were observed for rare earth cations. However, the coordination of the crown ether leads in each case - for lanthanides - to rather high coordination numbers. A total of five new rare earth complexes and two structural variants could be observed with crown ethers. In the study of the selectivity of the incorporation into the cavity, known structures were also reproduced and further structures were characterized but the crystal structures not entirely solved. With the use of monovalent cations such as potassium, lithium or silver a total of nine new compounds could be synthesized, while no clear preferences for the incorporation of certain cations were detected. The

Radiation-induced transformations of cellulose ethers

International Nuclear Information System (INIS)

Nud'ga, L.A.; Petropavlovskii, G.S.; Plisko, E.A.; Isakova, O.V.; Ershov, B.G.

1988-01-01

The purpose of this investigation was to study the transformation which take place under the action of γ-radiation in a number of cellulose ethers containing both saturated (carboxymethyl, hydroxyethyl) and unsaturated (allyl, methacryloyl) groups. Irradiation was carried out on a 60 Co unit in air at 77 and 300 K; the dose rate was 37 and 50 kGy/h respectively. The EPR spectra of γ-irradiated hydroxyethyl- and allylhydroxyethylcelluloses are identical. Under the action of γ-radiation extensive changes took place in cellulose ethers which are exhibited in degradation or the formation of three-dimensional structures and are accompanied by a change in the functional composition. The efficiency in the formation of radicals and their localization are determined by the nature and number of substituents in the cellulose ethers

Thermodynamics of Hydrogen Production from Dimethyl Ether Steam Reforming and Hydrolysis

Energy Technology Data Exchange (ETDEWEB)

T.A. Semelsberger

2004-10-01

The thermodynamic analyses of producing a hydrogen-rich fuel-cell feed from the process of dimethyl ether (DME) steam reforming were investigated as a function of steam-to-carbon ratio (0-4), temperature (100 C-600 C), pressure (1-5 atm), and product species: acetylene, ethanol, methanol, ethylene, methyl-ethyl ether, formaldehyde, formic acid, acetone, n-propanol, ethane and isopropyl alcohol. Results of the thermodynamic processing of dimethyl ether with steam indicate the complete conversion of dimethyl ether to hydrogen, carbon monoxide and carbon dioxide for temperatures greater than 200 C and steam-to-carbon ratios greater than 1.25 at atmospheric pressure (P = 1 atm). Increasing the operating pressure was observed to shift the equilibrium toward the reactants; increasing the pressure from 1 atm to 5 atm decreased the conversion of dimethyl ether from 99.5% to 76.2%. The order of thermodynamically stable products in decreasing mole fraction was methane, ethane, isopropyl alcohol, acetone, n-propanol, ethylene, ethanol, methyl-ethyl ether and methanol--formaldehyde, formic acid, and acetylene were not observed. The optimal processing conditions for dimethyl ether steam reforming occurred at a steam-to-carbon ratio of 1.5, a pressure of 1 atm, and a temperature of 200 C. Modeling the thermodynamics of dimethyl ether hydrolysis (with methanol as the only product considered), the equilibrium conversion of dimethyl ether is limited. The equilibrium conversion was observed to increase with temperature and steam-to-carbon ratio, resulting in a maximum dimethyl ether conversion of approximately 68% at a steam-to-carbon ratio of 4.5 and a processing temperature of 600 C. Thermodynamically, dimethyl ether processed with steam can produce hydrogen-rich fuel-cell feeds--with hydrogen concentrations exceeding 70%. This substantiates dimethyl ether as a viable source of hydrogen for PEM fuel cells.

Synthesis and characterization of new chiral ketopinic acid-derived catalysts immobilized on polystyrene-bound imidazole

Directory of Open Access Journals (Sweden)

Hassan Yusuf

2017-02-01

Full Text Available Four new chiral ketopinic acid-derived catalysts were anchored on a polystyrene-bound imidazole via non-covalent bond. The resulting heterogeneous catalysts were successfully characterized using IR, SEM, and TGA analyses.

Magnetic graphene oxide modified by imidazole-based ionic liquids for the magnetic-based solid-phase extraction of polysaccharides from brown alga.

Science.gov (United States)

Wang, Xiaoqin; Li, Guizhen; Row, Kyung Ho

2017-08-01

Magnetic graphene oxide was modified by four imidazole-based ionic liquids to synthesize materials for the extraction of polysaccharides by magnetic solid-phase extraction. Fucoidan and laminarin were chosen as the representative polysaccharides owing to their excellent pharmaceutical value and availability. Fourier transform infrared spectroscopy, field-emission scanning electron microscopy, and thermogravimetric analysis were applied to characterize the synthesized materials. Single-factor experiments showed that the extraction efficiency of polysaccharides was affected by the amount of ionic liquids for modification, solid-liquid ratio of brown alga and ethanol, the stirring time of brown alga and ionic liquid-modified magnetic graphene oxide materials, and amount of 1-(3-aminopropyl)imidazole chloride modified magnetic graphene oxide materials added to the brown alga sample solution. The results indicated that 1-(3-aminopropyl)imidazole chloride modified magnetic graphene oxide possessed better extraction ability than graphene oxide, magnetic graphene oxide, and other three ionic-liquid-modified magnetic graphene oxide materials. The highest extraction recoveries of fucoidan and laminarin extracted by 1-(3-aminopropyl)imidazole chloride modified magnetic graphene oxide were 93.3 and 87.2%, respectively. In addition, solid materials could be separated and reused easily owing to their magnetic properties. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synthesis, characterization and metal coordination of a potential β-lactamase inhibitor: 5-Methyl-2-phenoxymethyl-3-H-imidazole-4-carboxylic acid (PIMA

Directory of Open Access Journals (Sweden)

Chiara Romagnoli

2017-12-01

Full Text Available Among relevant metal ions in biological systems, zinc and iron play a key role as active partners of the catalytic machinery. In particular, the inhibition of metal enzymes that are involved in physiological and pathological processes has been deeply investigated for the rational design of selective and efficient drugs based on chelators. Since imidazole histidine residue is one of the most versatile sites in proteins, especially in enzymes acting in the presence of metal ions as cofactors, in this work the synthesis and characterization of a new imidazole derivative, namely 5-methyl-2-phenoxymethyl-3-H-imidazole-4-carboxylic acid (PIMA is reported. PIMA was designed as metallo-β-lactamase inhibitor thanks to its similarity with penicillin V, a β-lactam antibiotic inactivated by metallo-β-lactamase, for which there are no commercially available inhibitors. The evaluation of PIMA coordinating ability toward iron, zinc, and gallium, these latter selected as a non-paramagnetic probe for iron, is performed by theoretical DFT calculations and in solution by experimental techniques, i.e. potentiometry, UV–vis and NMR spectroscopy. PIMA exhibits an efficient metal chelating ability; the prevailing species in physiological condition are ML3 for Fe3+ and Ga3+ and ML2 for Zn2+, in which chelation is due to deprotonated carboxylic oxygen and imidazole nitrogen in the N,O donor set. The demonstrated ability of PIMA to chelate zinc ion, combined with its structure similarity with penicillin V, supports further exploration of this imidazole-4-carboxylate as metallo-β-lactamase inhibitor.

Sequential one-pot synthesis of imidazoles and 2H-imidazolones from β-ketoamines, acylating agents and ammonium acetate

Energy Technology Data Exchange (ETDEWEB)

Jalani, Hitesh B.; Venkateswararao, Edda; Manickam, Manoj; Jung, Sang Hun [College of Pharmacy and Institute of Drug Research and Development, Chungnam National University, Daejeon (Korea, Republic of)

2016-12-15

An efficient, practical, straight forward, and transition metal-free three-component synthesis of diversely substituted imidazoles and 2H-imidazolones from β-ketoamines, acylating agents, and ammonium acetate has been described herein. This approach involves [3+1+1] cyclization through consecutive formation of three C–N bonds as a sequence of initial amidation of β-ketoamines with acylating agent, β-iminoketoamide formation with ammonia, and acid catalyzed concomitant cyclodehydration to afford the imidazoles and 2H-imidazolones. This methodology has advantages such as single flask operation, readily available starting materials, mild conditions, broad functional groups tolerance, and simple work-up procedure.

Wear resistance of poly(2-methacryloyloxyethyl phosphorylcholine)-grafted carbon fiber reinforced poly(ether ether ketone) liners against metal and ceramic femoral heads.

Science.gov (United States)

Yamane, Shihori; Kyomoto, Masayuki; Moro, Toru; Hashimoto, Masami; Takatori, Yoshio; Tanaka, Sakae; Ishihara, Kazuhiko

2018-04-01

Younger, active patients who undergo total hip arthroplasty (THA) have increasing needs for wider range of motion and improved stability of the joint. Therefore, bearing materials having not only higher wear resistance but also mechanical strength are required. Carbon fiber-reinforced poly(ether ether ketone) (CFR-PEEK) is known as a super engineering plastic that has great mechanical strength. In this study, we focused on poly(2-methacryloyloxyethyl phosphorylcholine) (PMPC)-grafted CFR-PEEK and investigated the effects of PMPC grafting and the femoral heads materials on the wear properties of CFR-PEEK liners. Compared with untreated CFR-PEEK, the PMPC-grafted CFR-PEEK surface revealed higher wettability and lower friction properties under aqueous circumstances. In the hip simulator wear test, wear particles generated from the PMPC-grafted CFR-PEEK liners were fewer than those of the untreated CFR-PEEK liners. There were no significant differences in the size and the morphology of the wear particles between the differences of PMPC-grafting and the counter femoral heads. Zirconia-toughened alumina (ZTA) femoral heads had significantly smoother surfaces compared to cobalt-chromium-molybdenum alloy femoral heads after the hip simulator test. Thus, we conclude that the bearing combination of the PMPC-grafted CFR-PEEK liner and ZTA head is expected to be a lifelong bearing interface in THA. © 2017 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 106B: 1028-1037, 2018. © 2017 Wiley Periodicals, Inc.

On the ether-like Lorentz-breaking actions

International Nuclear Information System (INIS)

Petrov, A.Yu; Nascimento, J.R.; Gomes, M.; Silva, A. J. da

2011-01-01

We demonstrate the generation of the CPT-even, ether-like Lorentz-breaking actions for the scalar and electro-magnetic fields via their appropriate Lorentz-breaking coupling to spinor fields in three, four and five space-time dimensions. Besides, we show that the ether-like terms for the spinor field also can be generated as a consequence of the same couplings. The key result which will be presented here is the finiteness of the ether-like term for the electromagnetic field not only in three and five space-time dimensions where it is natural due to known effects of the dimensional regularization but also in four space-time dimensions. Moreover, we present the calculation of the last result within different calculational schemes and conclude that the result for the four-dimensional ether-like term for the electromagnetic field essentially depending on the calculation scheme, similarly to the result for the Carroll-Field-Jackiw (CFJ) term which probably signalizes a possibility for arising of a new anomaly. Also we discuss the dispersion relations in the theories with ether-like Lorentz-breaking terms which allows to discuss the consistency of the Lorentz-breaking modified theories for different (space-like or time-like) Lorentz-breaking vectors and find the tree-level effective (Breit) potential for fermion scattering and the one-loop effective potential corresponding to the action of the scalar field. (author)

Luminescent pH sensor of a novel imidazole-containing hexanuclear Ru(II) polypyridyl complex

Science.gov (United States)

Cheng, Feixiang; Tang, Ning; Chen, Jishu; Chen, Guang

2013-10-01

Hexapodal ligand H6L containing imidazole rings has been prepared by the reaction of 1,10-phenanthroline-5,6-dione with 1,2,3,4,5,6-hexakis[(3-formylphenoxy)methyl]benzene. The Ru(II) polypyridyl complex [{Ru(bpy)2}6(μ6-H6L)](PF6)12 (bpy = 2,2'-bipyridine) has been synthesized by the reaction of Ru(bpy)2Cl2·2H2O with ligand H6L. The pH effects on the UV-vis absorption and emission spectra of the complex have been studied. The ground- and excited-state ionization constants of the acid-base equilibria have been calculated according to the absorbance and emission data. The complex acts as an off-on-off luminescent pH sensor through two successive deprotonation processes of imidazole rings, with a maximum on-off ratio of 5 in buffer solution.

Characterization of Microsolvated Crown Ethers from Broadband Rotational Spectroscopy

Science.gov (United States)

Perez, Cristobal; Schnell, Melanie; Blanco, Susana; Lopez, Juan Carlos

2016-06-01

Since they were first synthetized, crown ethers have been extensively used in organometallic chemistry due to their unparalleled binding selectivity with alkali metal cations. From a structural point of view, crown ethers are heterocycles containing oxygen and/or other heteroatoms, although the most common ones are formed from ethylene oxide unit. Crown ethers are conventionally seen as being hydrophilic inside and hydrophobic outside when the structures found for the metal cation complexes are considered. However, crown ethers are extremely flexible and in isolation may present a variety of stable conformations so that their structure may be easily adapted in presence of a strong ligand as an alkali metal cation minimize the energy of the resulting complex. Water can be considered a soft ligand which interacts with crown ethers through moderate hydrogen bonds. It is thus interesting to investigate which conformers are selected by water to form complexes, the preferred interaction sites and the possible conformational changes due to the presence of one or more water molecules. Previous studies identified microsolvated crown ethers but in all cases with a chromophore group attached to the structure. Here we present a broadband rotational spectroscopy study of microsolvated crown ethers produced in a pulsed molecular jet expansion. Several 1:1 and 1:2 crown ether:water aggregates are presented for 12-crown-4, 15-crown-5 and 18-crown-6. Unambiguous identification of the structures has been achieved using isotopic substitution within the water unit. The subtle changes induced in the structures of the crown ether monomer upon complexation and the hydrogen-bonding network that hold them together will be also discussed. F. Gámez, B. Martínez-Haya, S. Blanco,J. C. López and J. L. Alonso, Phys. Chem. Chem. Phys. 2014, 14 12912-12918 V. A. Shubert, C.W. Müller and T. Zwier, J. Phys. Chem. A 2009, 113 8067-8079

Polybrominated diphenyl ethers in surface sediments of the Yangtze River Delta: Levels, distribution and potential hydrodynamic influence

International Nuclear Information System (INIS)

Chen Shejun; Gao Xiaojiang; Mai Bixian; Chen Zhuomin; Luo Xiaojun; Sheng Guoying; Fu Jiamo; Zeng, Eddy Y.

2006-01-01

A total of 32 surface sediments collected from the Yangtze River Estuary, Hangzhou Bay and the Qiantang River were analyzed for polybrominated diphenyl ethers (PBDEs). The concentrations of ΣPBDEs (sum of 12 PBDE congeners without BDE 209) and BDE 209 varied from n.d. to 0.55 and from 0.16 to 94.6 ng/g, respectively. The spatial variability of ΣPBDEs concentrations indicated that waste discharge from the urban areas might been the main source of PBDEs in the Yangtze River Delta. BDE 209 was the predominant congener (∼90-100%) detected among the 13 congeners, consistent with the fact that technical deca-BDE mixtures are presently the dominant technical PBDE mixtures used in China. Compared to published data acquired from other locales, PBDE congeners with less than four bromines were more abundant in the present study area. The hydrodynamic conditions may likely be a significant factor in dictating the observed levels and congener distribution patterns of PBDEs. - This study discussed the possible effects of hydrodynamic conditions on the distribution of PBDEs in estuarine and marine boundary

PEEK (polyether-ether-ketone)-coated nitinol wire: Film stability for biocompatibility applications

Science.gov (United States)

Sheiko, Nataliia; Kékicheff, Patrick; Marie, Pascal; Schmutz, Marc; Jacomine, Leandro; Perrin-Schmitt, Fabienne

2016-12-01

High quality biocompatible poly-ether-ether-ketone (PEEK) coatings were produced on NiTi shape memory alloy wires using dipping deposition from colloidal aqueous PEEK dispersions after substrate surface treatment. The surface morphology and microstructure were investigated by Scanning Electron Microscopy at every step of the process from the as-received Nitinol substrate to the ultimate PEEK-coated NiTi wire. Nanoscratch tests were carried out to access the adhesive behavior of the polymer coated film to the NiTi. The results indicate that the optimum process conditions in cleaning, chemical etching, and electropolishing the NiTi, were the most important and determining parameters to be achieved. Thus, high quality PEEK coatings were obtained on NiTi wires, straight or curved (even with a U-shape) with a homogeneous microstructure along the wire length and a uniform thickness of 12 μm without any development of cracks or the presence of large voids. The biocompatibility of the PEEK coating film was checked in fibrobast cultured cells. The coating remains stable in biological environment with negligible Ni ion release, no cytotoxicity, and no delamination observed with time.

Thermogravimetric analysis of the polymer acrylate-vinyl ether mixture cured by radiation

International Nuclear Information System (INIS)

Danu, Sugiarto

1998-01-01

An experiment on thermal stability of the polymer acrylate-vinyl ether mixture cured by radiation have been done using thermogravimetric analysis. Three kinds of acrylic oligomers i.e., epoxy acrylate, urethane acrylate, and polypropylene glycol diacrylate, and vinyl ether monomers i.e., triethylene glycol divinyl ether (DVE-3), 1,4-cyclohexane dimethanol divinyl ether (CHVE), and butanediol monovinyl ether (HBVE) were used in the experiment. Reaction was taken via radical and cationic polymerisation. In case of cationic polymerisation, diphenyliodonium hexafluorophosphate fotoinisiator was used in the formulation. Thermogravimetric analysis was conducted in a nitrogen atmosphere at a flow rate of 40 ml/minute with a constant heating rate 10 o C and evaluation range were done from 25 to 500 o C. The results of thermogravimetric analysis showed that acrylate and DVE-3 mixture produced the polymer films with higher thermal stability than the mixture of acrylate with CHVE or HBVE. The composition of acrylate-vinyl ether mixture and degree of unsaturation of vinyl ether monomers influenced the thermal stability of polymer. The mixture of epoxy acrylate-vinyl ether and polypropylene glycol diacrylate-vinyl ether have 1 initial decomposition temperature whereas the urethane acrylate-vinyl ether mixture has 2 initial decomposition temperatures. (authors)

Occurrence of polybrominated diphenyl ethers in floor and elevated surface house dust from Shanghai, China.

Science.gov (United States)

Niu, Dong; Qiu, Yanling; Li, Li; Zhou, Yihui; Du, Xinyu; Zhu, Zhiliang; Chen, Ling; Lin, Zhifen

2018-04-24

House dust is the main source of human exposure to flame retardants by ingestion. This study investigated the occurrence of polybrominated diphenyl ethers (PBDEs) in indoor dust from 22 houses in Shanghai, China. House dust was separately collected from the floor and elevated furnishings surface (mostly between 0.5 and 2 m height) for comparison. The concentrations of ∑ 22 PBDEs ranged from 19.4 to 3280 ng/g (with a geometric mean of 203 ng/g) and from 55.1 to 792 ng/g (with a geometric mean of 166 ng/g) in floor dust (FD) and elevated surface dust (ESD), respectively. BDE-209 was the predominant congener, accounting for about 73.1% of total PBDE burdens. In terms of congener profiles, the comparison of FD and ESD revealed no significant differences except for the ratio of BDE-47/BDE-99. ESD samples displayed a ratio of BDE-47/BDE-99 very similar to commercial penta-BDE products DE-71 while the ratio in FD was exceptionally higher. Significant correlation was found between concentrations of commercial penta-BDE compositions in FD and ESD (p house dust exhibited temporal stability. Human exposure to PBDEs via dust ingestion was estimated. The highest daily intake of PBDEs was for toddlers by using 95th percentile concentrations of PBDEs via high dust ingestion in FD (23.07 ng/kg bw/day). About 20-fold difference in exposure estimates between toddlers and adults supports that toddlers are facing greater risk from indoor floor dust. Expectedly, this study highlighted the point that residents in Shanghai were exposed to low doses of PBDEs in house dust.

Bromidotetra?kis?(2-isopropyl-1H-imidazole-?N 3)copper(II) bromide

OpenAIRE

Godlewska, Sylwia; Socha, Joanna; Baranowska, Katarzyna; Do??ga, Anna

2011-01-01

The CuII atom in the title salt, [CuBr(C6H10N2)4]Br, is coordinated in a square-pyramidal geometry by four imidazole N atoms and one bromide anion that is located at the apex of the pyramid. The cations and the anions form a two-dimensional network parallel to (001) through N—H...Br hydrogen bonds.

Crystal structure of 1-[2-(4-chlorophenyl-4,5-diphenyl-1H-imidazol-1-yl]propan-2-ol

Directory of Open Access Journals (Sweden)

Shaaban K. Mohamed

2017-01-01

Full Text Available The title compound, C24H21ClN2O, crystallizes with two unique molecules in the asymmetric unit. In each molecule, the central imidazole ring is substituted at the 2-, 4- and 5-positions by benzene rings. The 2-substituted ring carries a Cl atom at the 4-position. One of the imidazole N atoms in each molecule has a propan-2-ol substituent. In the crystal, a series of O—H...N, C—H...O and C—H...Cl hydrogen bonds, augmented by several C—H...π(ring interactions, generate a three-dimensional network of molecules stacked along the a-axis direction.

Exogenous ether lipids predominantly target mitochondria

DEFF Research Database (Denmark)

Kuerschner, Lars; Richter, Doris; Hannibal-Bach, Hans Kristian

2012-01-01

Ether lipids are ubiquitous constituents of cellular membranes with no discrete cell biological function assigned yet. Using fluorescent polyene-ether lipids we analyzed their intracellular distribution in living cells by microscopy. Mitochondria and the endoplasmic reticulum accumulated high......, accumulated to mitochondria and induced morphological changes and cellular apoptosis. These data indicate that edelfosine could exert its pro-apoptotic power by targeting and damaging mitochondria and thereby inducing cellular apoptosis. In general, this study implies an important role of mitochondria...

Mixed-linker zeolitic imidazolate framework mixed-matrix membranes for aggressive CO2 separation from natural gas

KAUST Repository

Thompson, Joshua A.; Vaughn, Justin T.; Brunelli, Nicholas A.; Koros, William J.; Jones, Christopher W.; Nair, Sankar

2014-01-01

Zeolitic imidazolate framework (ZIF) materials are a promising subclass of metal-organic frameworks (MOF) for gas separations. However, due to the deleterious effects of gate-opening phenomena associated with organic linker rotation near

Mass transport of direct methanol fuel cell species in sulfonated poly(ether ether ketone) membranes

International Nuclear Information System (INIS)

Silva, V.S.; Ruffmann, B.; Vetter, S.; Boaventura, M.; Mendes, A.M.; Madeira, L.M.; Nunes, S.P.

2006-01-01

Homogeneous membranes based on sulfonated poly(ether ether ketone) (sPEEK) with different sulfonation degrees (SD) were prepared and characterized. In order to perform a critical analysis of the SD effect on the polymer barrier and mass transport properties towards direct methanol fuel cell species, proton conductivity, water/methanol pervaporation and nitrogen/oxygen/carbon dioxide pressure rise method experiments are proposed. This procedure allows the evaluation of the individual permeability coefficients in hydrated sPEEK membranes with different sulfonation degrees. Nafion[reg] 112 was used as reference material. DMFC tests were also performed at 50 deg. C. It was observed that the proton conductivity and the permeability towards water, methanol, oxygen and carbon dioxide increase with the sPEEK sulfonation degree. In contrast, the SD seems to not affect the nitrogen permeability coefficient. In terms of selectivity, it was observed that the carbon dioxide/oxygen selectivity increases with the sPEEK SD. In contrast, the nitrogen/oxygen selectivity decreases. In terms of barrier properties for preventing the DMFC reactants loss, the polymer electrolyte membrane based on the sulfonated poly(ether ether ketone) with SD lower or equal to 71%, although having slightly lower proton conductivity, presented much better characteristics for fuel cell applications compared with the well known Nafion[reg] 112. In terms of the DMFC tests of the studied membranes at low temperature, the sPEEK membrane with SD = 71% showed to have similar performance, or even better, as that of Nafion[reg] 112. However, the highest DMFC overall efficiency was achieved using sPEEK membrane with SD = 52%

Sulfonated poly(tetramethydiphenyl ether ether ketone) membranes for vanadium redox flow battery application

Energy Technology Data Exchange (ETDEWEB)

Mai, Zhensheng; Bi, Cheng; Dai, Hua [PEMFC Key Materials and Technology Laboratory, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Zhongshan Road 457, Dalian 116023 (China); Graduate University of the Chinese Academy of Sciences, Beijing 100039 (China); Zhang, Huamin; Li, Xianfeng [PEMFC Key Materials and Technology Laboratory, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Zhongshan Road 457, Dalian 116023 (China)

2011-01-01

Sulfonated poly(tetramethydiphenyl ether ether ketone) (SPEEK) with various degree of sulfonation is prepared and first used as ion exchange membrane for vanadium redox flow battery (VRB) application. The vanadium ion permeability of SPEEK40 membrane is one order of magnitude lower than that of Nafion 115 membrane. The low cost SPEEK membranes exhibit a better performance than Nafion at the same operating condition. VRB single cells with SPEEK membranes show very high energy efficiency (>84%), comparable to that of the Nafion, but at much higher columbic efficiency (>97%). In the self-discharge test, the duration of the cell with the SPEEK membrane is two times longer than that with Nafion 115. The membrane keeps a stable performance after 80-cycles charge-discharge test. (author)

Carbon dioxide selective adsorption within a highly stable mixed-ligand Zeolitic Imidazolate Framework

KAUST Repository

Huang, Lin; Xue, Ming; Song, Qingshan; Chen, Siru; Pan, Ying; Qiu, Shilun

2014-01-01

A new mixed-ligand Zeolitic Imidazolate Framework Zn4(2-mbIm) 3(bIm)5·4H2O (named JUC-160, 2-mbIm = 2-methylbenzimidazole, bIm = benzimidazole and JUC = Jilin University China) was synthesized with a solvothermal reaction of Zn(NO3) 2·6H2O, b

Application of simplified PC-SAFT to glycol ethers

DEFF Research Database (Denmark)

Avlund, Ane Søgaard; Kontogeorgis, Georgios; Michelsen, Michael Locht

2012-01-01

The simplified PC-SAFT (sPC-SAFT) equation of state is applied for binary glycol ether-containing mixtures, and it is investigated how the results are influenced by inclusion of intramolecular association in the association theory. Three different glycol ethers are examined: 2-methoxyethanol, 2...

Origin of mechanical modifications in poly (ether ether ketone)/carbon nanotube composite

International Nuclear Information System (INIS)

Pavlenko, Ekaterina; Puech, Pascal; Bacsa, Wolfgang; Boyer, François; Olivier, Philippe; Sapelkin, Andrei; King, Stephen; Heenan, Richard; Pons, François; Gauthier, Bénédicte; Cadaux, Pierre-Henri

2014-01-01

Variations in the hardness of a poly (ether ether ketone) beam electrically modified with multi-walled carbon nanotubes (MWCNT, 0.5%-3%) are investigated. It is shown that both rupture and hardness variations correlate with the changes in carbon nanotube concentration when using micro indentation and extended Raman imaging. Statistical analysis of the relative spectral intensities in the Raman image is used to estimate local tube concentration and polymer crystallinity. We show that the histogram of the Raman D band across the image provides information about the amount of MWCNTs and the dispersion of MWCNTs in the composite. We speculate that we have observed a local modification of the ordering between pure and modified polymer. This is partially supported by small angle neutron scattering measurements, which indicate that the agglomeration state of the MWCNTs is the same at the concentrations studied.

Origin of mechanical modifications in poly (ether ether ketone)/carbon nanotube composite

Energy Technology Data Exchange (ETDEWEB)

Pavlenko, Ekaterina; Puech, Pascal; Bacsa, Wolfgang, E-mail: wolfgang.bacsa@cemes.fr [CEMES-CNRS and University of Toulouse, 29 Jeanne Marvig, 31055 Toulouse (France); Boyer, François; Olivier, Philippe [Université de Toulouse, Institut Clément Ader, I.U.T. Université Paul Sabatier - 133C Avenue de Rangueil - B.P. 67701, 31077 Toulouse CEDEX 4 (France); Sapelkin, Andrei [School of Physics and Astronomy, Queen Mary, University of London, Mile End Road, E1 4NS London (United Kingdom); King, Stephen; Heenan, Richard [ISIS Facility, Rutherford Appleton Laboratory, Chilton, OX11 0QX Didcot (United Kingdom); Pons, François; Gauthier, Bénédicte; Cadaux, Pierre-Henri [AIRBUS FRANCE (B.E. M and P Toulouse), 316 Route de Bayonne, 31060 Toulouse (France)

2014-06-21

Variations in the hardness of a poly (ether ether ketone) beam electrically modified with multi-walled carbon nanotubes (MWCNT, 0.5%-3%) are investigated. It is shown that both rupture and hardness variations correlate with the changes in carbon nanotube concentration when using micro indentation and extended Raman imaging. Statistical analysis of the relative spectral intensities in the Raman image is used to estimate local tube concentration and polymer crystallinity. We show that the histogram of the Raman D band across the image provides information about the amount of MWCNTs and the dispersion of MWCNTs in the composite. We speculate that we have observed a local modification of the ordering between pure and modified polymer. This is partially supported by small angle neutron scattering measurements, which indicate that the agglomeration state of the MWCNTs is the same at the concentrations studied.

Non-specific vaginitis: diagnostic features and response to imidazole therapy (metronidazole, ornidazole).

Science.gov (United States)

Meech, R J; Loutit, J

1985-05-22

Detailed quantitative aerobic, anaerobic, fungal and mycoplasma flora was obtained for 43 women presenting with complaints of vaginal discharge and malodour. Clinical response was associated with eradication of the abnormal anaerobic flora, despite persistence of G vaginalis in nine (26%). Topical imidazole therapy appeared to have some advantage over oral therapy. Gram stains of vaginal swabs were found to be the most useful laboratory investigation.

Radiation chemistry of alternative fuel oxygenates - substituted ethers

International Nuclear Information System (INIS)

Mezyk, S. P.; Cooper, W. J.; Bartels, D. M.; Tobien, T.; O'Shea, K. E.

1999-01-01

The electron beam process, an advanced oxidation and reduction technology, is based in the field of radiation chemistry. Fundamental to the development of treatment processes is an understanding of the underlying chemistry. The authors have previously evaluated the bimolecular rate constants for the reactions of methyl tert-butyl ether (MTBE) and with this study have extended their studies to include ethyl tert-butyl ether (ETBE), di-isopropyl ether (DIPE) and tert-amyl methyl ether (TAME) with the hydroxyl radical, hydrogen atom and solvated electron using pulse radiolysis. For all of the oxygenates the reaction with the hydroxyl radical appears to be of primary interest in the destruction of the compounds in water. The rates with the solvated electron are limiting values as the rates appear to be relatively low. The hydrogen atom rate constants are relatively low, coupled with the low yield in radiolysis, they concluded that these are of little significance in the destruction of the alternative fuel oxygenates (and MTBE)

Diethyl Ether Production as a Substitute for Gasoline

Directory of Open Access Journals (Sweden)

Alviany Riza

2018-01-01

Full Text Available Diethyl ether is one of alternative fuel that could be used as a significant component of a blend or as a complete replacement for transportation fuel. The aim of this research is to produce diethyl ether through dehydration reaction of ethanol with fixed bed reactor using nanocrystalline γ-Al2O3 catalyst. Nanocrystalline γ-Al2O3 catalyst was synthesized by precipitation method using Al(NO33.9H2O as precursors and NH4OH as the precipitating agent. Dehydration reaction was performed at temperature range of 125 to 225°C. The result shows that synthesized γ-Al2O3 catalyst gave higher ethanol conversion and diethyl ether yield than that of commercial Al2O3 catalyst. The use of synthesized γ-Al2O3 catalyst could reach ethanol conversion as high as 94.71% and diethyl ether yield as high as 11,29%.

Synthesis of methyl acetate from dimethyl ether using group VIII metal salts of phosphotungstic acid

Energy Technology Data Exchange (ETDEWEB)

Sardesai, A.; Lee, S.; Tartamella, T.

2002-04-01

Dimethyl ether (DME) can be produced much more efficiently in a single-stage, liquid-phase process from natural gas-based syngas as compared to the conventional process via dehydration of methanol. This process, based on dual catalysts slurried in inert oil, alleviates the chemical equilibrium limitation governing the methanol synthesis reaction and concurrently improves per-pass syngas conversion and reactor productivity. The potential, therefore, for production of methyl acetate via dimethyl ether carbonylation is of industrial importance. In the present study, conversion of dimethyl ether and carbon monoxide to methyl acetate is investigated over a variety of group VIII metal-substituted phosphotungstic acid salts. Experimental results of this catalytic reaction using rhodium, iridium, ruthenium, and palladium catalysts are evaluated and compared in terms of selectivity toward methyl acetate. The effects of active metal, support types, multiple metal loading, and feed conditions on carbonylation activity of DME are examined. Iridium metal substituted phosphotungstic acid supported on Davisil type 643 (pore size 150 A, surface area 279 m{sup 2}/g, mesh size 230-425) silica gel shows the highest activity for DME carbonylation. (author)

Unitary information ether and its possible applications

International Nuclear Information System (INIS)

Horodecki, R.

1991-01-01

The idea of information ether as the unitary information field is developed. It rests on the assumption that the notion of information is a fundamental category in the description of reality and that it can be defined independently from the notion of probability itself. It is shown that the information ether provides a deterministic background for the nonlinear wave hypothesis and quantum cybernetics. (orig.)

Solidification of liquid electrolyte with imidazole polymers for quasi-solid-state dye-sensitized solar cells

International Nuclear Information System (INIS)

Wang Miao; Lin Yuan; Zhou Xiaowen; Xiao Xurui; Yang Lei; Feng Shujing; Li Xueping

2008-01-01

Quasi-solid-state electrolytes were prepared by employing the imidazole polymers to solidify the liquid electrolyte containing lithium iodide, iodine and ethylene carbonate (EC)/propylene carbonate (PC) mixed solvent. The ionic conductivity and diffusion behavior of triiodide in the quasi-solid-state electrolytes were examined in terms of the polymer content. Application of the quasi-solid-state electrolytes to the dye-sensitized solar cells, the maximum energy conversion efficiency of 7.6% (AM 1.5, 100 mW cm -2 ) was achieved. The dependence of the photovoltaic performance on the polymer content and on the different anions of the imidazole polymers was studied by electrochemical impedance spectroscopy and cyclic voltammetry. The results indicate the charge transfer behaviors occurred at nanocrystalline TiO 2 /electrolyte and Pt/electrolyte interface play an important role in influencing the photovoltaic performance of quasi-solid-state dye-sensitized solar cells

High-performance polyamide thin-film-nanocomposite reverse osmosis membranes containing hydrophobic zeolitic imidazolate framework-8

KAUST Repository

Duan, Jintang

2015-02-01

A hydrophobic, hydrothermally stable metal-organic framework (MOF) - zeolitic imidazolate framework-8 (ZIF-8) was successfully incorporated into the selective polyamide (PA) layer of thin-film nanocomposite (TFN) membranes for water desalination. The potential advantages of ZIF-8 over classic hydrophilic zeolite used in TFNs include: i) theoretically faster water transport within the framework and ii) better compatibility with the PA matrix. The TFN membranes were characterized with SEM, TEM, AFM, XPS, water contact angle measurements and reverse osmosis tests under 15.5bar hydraulic pressure with 2000ppm NaCl solution. Lab-made, nano-sized (~200nm) ZIF-8 increased water permeance to 3.35±0.08L/m2·h·bar at 0.4% (w/v) loading, 162% higher than the pristine PA membranes; meanwhile, high NaCl rejection was maintained. The TFN surface was less crosslinked and more hydrophilic than that of the pristine PA. A filler encapsulation mechanism was proposed for the effects of filler on TFN membrane surface morphology and properties. This study experimentally verified the potential use of ZIF-8 in advanced TFN RO membranes.

The Ether Wind and the Global Positioning System.

Science.gov (United States)

Muller, Rainer

2000-01-01

Explains how students can perform a refutation of the ether theory using information from the Global Positioning System (GPS). Discusses the functioning of the GPS, qualitatively describes how position determination would be affected by an ether wind, and illustrates the pertinent ideas with a simple quantitative model. (WRM)

Synthesis of Poly(vinyl ether) Thermoplastic Elastomers Having Functional Soft Segments

OpenAIRE

今枝, 嗣人; 漆崎, 美智遠; 阪口, 壽一; 橋本, 保; Tsuguto, IMAEDA; Michio, URUSHISAKI; Toshikazu, SAKAGUCHI; Tamotsu, HASHIMOTO

2013-01-01

The ABA-type triblock copolymers consisting of poly(2-adarnantyl vinyl ether) [poly(2-AdVE) as outer hard segments and poly(6-acetoxyhexyl vinyl ether) [poly(AcHVE)] poly(6-hydroxyhexyl vinyl ether) [poly(H HVE)], or poly(2-(2-methoxyethoxy)ethyl vinyl ether [poly(MOEOVE)] as inner soft segments were synthesized by sequential living cationic polymerization. Despite the presence of polar functional groups such as ester, hydroxy, and oxyethylene units in their soft segments, the two polymer seg...

The breakdown of vinyl ethers as a two-center synchronous reaction

Science.gov (United States)

Pokidova, T. S.; Shestakov, A. F.

2009-11-01

The experimental data on the molecular decomposition of vinyl ethers of various structures to alkanes and the corresponding aldehydes or ketones in the gas phase were analyzed using the method of intersecting parabolas. The enthalpies and kinetic parameters of decomposition were calculated for 17 reactions. The breakdown of ethers is a two-center concerted reaction characterized by a very high classical potential barrier to the thermally neutral reaction (180-190 kJ/mol). The kinetic parameters (activation energies and rate constants) of back reactions of the formation of vinyl ethers in the addition of aldehydes or ketones to alkanes were calculated using the method of intersecting parabolas. The factors that influenced the activation energy of the decomposition and formation of ethers were discussed. Quantum-chemical calculations of several vinyl ether decomposition reactions were performed. Ether formation reactions were compared with the formation of unsaturated alcohols as competitive reactions, which can occur in the interaction of carbonyl compounds with alkenes.

Self-assembled magnetic nanoparticle supported zeolitic imidazolate framework-8: An efficient adsorbent for the enrichment of triazine herbicides from fruit, vegetables, and water.

Science.gov (United States)

Zhou, Lian; Su, Ping; Deng, Yulan; Yang, Yi

2017-02-01

Zeolitic imidazolate frameworks have positive surface charges and high adsorption capabilities. In this work, zeolitic imidazolate frameworks-8 and negatively charged magnetic nanoparticles were self-assembled by electrostatic attraction under sonication. The extraction performance of the synthesized hybrid material was evaluated by using it as a magnetic adsorbent for the enrichment of triazine herbicides in various sample matrices prior to analysis using ultrafast liquid chromatography. The main parameters, that is, extraction time, adsorbent dosage, salt concentration, and desorption conditions, were evaluated. Under the optimum conditions, good linear responses from 2.5 to 200 ng/mL for atrazine (simazine) and 1 to 200 ng/mL for prometryn (ametryn), with correlation coefficients (R 2 ) higher than 0.9992 were obtained. The detection limits of the method (S/N = 3) were 0.18-0.72 ng/mL. The proposed method was successfully used to determine triazine herbicides in six samples, namely, apple, pear, strawberry, pakchoi, lettuce, and water. The amounts of simazine in all the fruit and vegetable samples were 10.8-25.2 ng/mL. The recoveries of all the analytes were 88.0-101.9%, with relative standard deviations of less than 8.8%. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Tumor Repression of VCaP Xenografts by a Pyrrole-Imidazole Polyamide

OpenAIRE

Hargrove, Amanda E.; Martinez, Thomas F.; Hare, Alissa A.; Kurmis, Alexis A.; Phillips, John W.; Sud, Sudha; Pienta, Kenneth J; Dervan, Peter B.

2015-01-01

Pyrrole-imidazole (Py-Im) polyamides are high affinity DNA-binding small molecules that can inhibit protein-DNA interactions. In VCaP cells, a human prostate cancer cell line overexpressing both AR and the TMPRSS2-ERG gene fusion, an androgen response element (ARE)-targeted Py-Im polyamide significantly downregulates AR driven gene expression. Polyamide exposure to VCaP cells reduced proliferation without causing DNA damage. Py-Im polyamide treatment also reduced tumor growth in a VCaP mouse ...

Abrupt spin transition with thermal hysteresis of iron(III) complex [Fe(III)(Him)2(hapen)]AsF6 (Him = imidazole, H2hapen = N,N'-bis(2-hydroxyacetophenylidene)ethylenediamine).

Science.gov (United States)

Fujinami, Takeshi; Koike, Masataka; Matsumoto, Naohide; Sunatsuki, Yukinari; Okazawa, Atsushi; Kojima, Norimichi

2014-02-17

The solvent-free spin crossover iron(III) complex [Fe(III)(Him)2(hapen)]AsF6 (Him = imidazole, H2hapen = N,N'-bis(2-hydroxyacetophenylidene)ethylenediamine), exhibiting thermal hysteresis, was synthesized and characterized. The Fe(III) ion has an octahedral coordination geometry, with N2O2 donor atoms of the planar tetradentate ligand (hapen) and two nitrogen atoms of two imidazoles at the axial positions. One of two imidazoles is hydrogen-bonded to the phenoxo oxygen atom of hapen of the adjacent unit to give a hydrogen-bonded one-dimensional chain, while the other imidazole group is free from hydrogen bonding. The temperature dependencies of the magnetic susceptibilities and Mössbauer spectra revealed an abrupt spin transition between the high-spin (S = 5/2) and low-spin (S = 1/2) states, with thermal hysteresis.

Physico-chemical characterization, density functional theory (DFT) studies and Hirshfeld surface analysis of a new organic optical material: 1H-benzo[d]imidazol-3-ium-2,4,6-trinitrobenzene-1,3 bis(olate)

Science.gov (United States)

Dhamodharan, P.; Sathya, K.; Dhandapani, M.

2017-10-01

A novel organic crystal, 1H-benzo[d]imidazol-3-ium-2,4,6-trinitrobenzene-1,3 bis(olate) (BITB), was synthesized. Single crystals of BITB were harvested by solution growth-slow evaporation technique. 1H and 13C NMR spectroscopic techniques were utilized to confirm the presence of various types of carbons and protons in BITB. Single crystal XRD confirms that BITB crystallizes in monoclinic system with a space group of P21/n. The suitability of this material for optical applications was assessed by optical absorption, transmittance, reflectance and refractive index spectroscopic techniques. Gaussian 09 program at B3LYP/6-311++G(d,p) level of basis set as used for the optimization of molecular structure of BITB. Greater first order hyperpolarizability value of BITB is due to intensive hydrogen bond network in the crystal. The value is 15 times greater than that of Urea, a reference standard. Computation of frontier molecular orbitals and electrostatic potential surface helped to understand the electron density and reactive sites in BITB. The material was thermally stable up to 220 °C. Hirshfeld surface analysis was performed to quantify the covalent and non covalent interactions.

Radio-prophylactic treatment with imidazole and/or Serotonin for Modulation of Tissue Catecholamines in whole body gamma irradiated Rats

International Nuclear Information System (INIS)

Hassan, S.H.M.; Roushdy, H.M.; Maklaad, Y.A.; El-Sayed, M.E.

1995-01-01

The present study has been conducted to evaluate the radioprotective effects of imidazole, serotonin and their combination on radiation induced reduction in catecholamine contents of the heart and adrenal glands in albino rat. The contribution of catecholamines in the radioprotective role of these agents has been evaluated. Whole-body gamma-irradiation (6 Gy) induced a significant reduction in heart and adrenal glands contents of catecholamine (epinephrine, norepinephrine and dopamine) one day post irradiation. Such reduction in catecholamine contents was more pronounced on the seventh day post exposure. Administration of imidazole (350 mg kg-1) or serotonin. (15 mg. kg-1) controlled the radiation induced reduction in catecholamine contents of heart as well as adrenal glands. Whereas, combination of imidazole (17 mg kg-1) serotonin (15 mg. kg-1) afforded a better protection than either agent given alone, in view that all the measured parameters could be fully restored to the values pre-irradiation. This study appreciate the usage of such combination as a prophylactic treatment for controlling the stress-state induced by irradiation which is associated with disturbed level of endogenous catecholamine contents in those sensitive patients undergoing radiotherapy. 2 tabs

Fast liquid chromatography-tandem mass spectrometry for the analysis of bisphenol A-diglycidyl ether, bisphenol F-diglycidyl ether and their derivatives in canned food and beverages.

Science.gov (United States)

Gallart-Ayala, H; Moyano, E; Galceran, M T

2011-03-25

In this work a fast liquid chromatography coupled with tandem mass spectrometry (LC-MS/MS) method using a C18 Fused Core™ column, was developed for the simultaneous analysis of bisphenol A diglycidyl ether (BADGE), bisphenol A (2,3-dihydroxypropyl) glycidyl ether (BADGE·H(2)O), bisphenol A bis(2,3-dihydroxypropyl) ether (BADGE·2H(2)O), bisphenol A (3-chloro-2-hydroxypropyl) glycidyl ether (BADGE·HCl), bisphenol A bis(3-chloro-2-hydroxypropyl) ether (BADGE·2HCl) and bisphenol A (3-chloro-2-hydroxypropyl)(2,3-dihydroxypropyl ether) (BADGE·HCl·H(2)O) and bisphenol F diglycidyl ether (BFDGE), bisphenol F bis(2,3-dihydroxypropyl) ether (BFDGE·2H(2)O), bisphenol F bis(3-chloro-2-hydroxypropyl) ether (BFDGE·2HCl). The LC method was coupled with a triple quadrupole mass spectrometer, using an ESI source in positive mode and using the [M+NH(4)](+) adduct as precursor ion for tandem mass spectrometry experiments. The method developed was applied to the determination of these compounds in canned soft drinks and canned food. OASIS HLB solid phase extraction (SPE) cartridges were used for the analysis of soft drinks, while solid canned food was extracted with ethyl acetate. Method limits of quantitation ranged from 0.13 μgL(-1) to 1.6 μgL(-1) in soft drinks and 1.0 μgkg(-1) to 4.0 μgkg(-1) in food samples. BADGE·2H(2)O was detected in all the analyzed samples, while other BADGEs such as BADGE·H(2)O, BADGE·HCl·H(2)O, BADGE·HCl and BADGE·2HCl were also detected in canned foods. Copyright © 2011 Elsevier B.V. All rights reserved.

Zinc (II) [tetra(4-methylphenyl)] Porphyrin: a Novel and Reusable Catalyst for Efficient Synthesis of 2,4,5-trisubstituted Imidazoles Under Ultrasound Irradiation

Energy Technology Data Exchange (ETDEWEB)

Safari, Javad; Khalili, Shiva Dehghan; Banitaba, Sayed Hossein; Dehghani, Hossein [Univ. of Kashan, Kashan (Iran, Islamic Republic of)

2011-10-15

An efficient three-component one-step synthesis of 2,4,5-trisubstituted imidazoles by condensation reaction of 1,2-diketones or α-hydroxyketones with aromatic aldehydes and ammonium acetate using Zinc (II) [tetra (4-methylphenyl)] porphyrin as a novel and reusable catalyst under ultrasound irradiation at ambient temperature is described. In this method, α-hydroxyketones as well as 1,2-diketones were converted to their corresponding 2,4,5-trisubstituted imidazoles in excellent yields.

Effect of p-amino-diphenyl ethers on hepatic microsomal cytochrome P450.

Science.gov (United States)

Jiang, Huidi; Xuan, Guida

2003-09-01

The present paper aims to investigate whether p-amino-2',4'-dichlorodiphenyl ether and p-amino-4'-methyldiphenyl ether are inhibitors as well as inducers of P450. Mice were given daily intraperitoneal (ip) injections of p-amino-2',4'-dichlorodiphenyl ether (0.25 mmol/kg) or p-amino-4'-methyldiphenyl ether (0.25 mmol/kg) for 4 days and tested at 24 h and 48 h after the last dose injection. The results showed the mice pentobarbital sleeping time was shorter and the P450 content of hepatic microsome increased significantly in the group pretreated with p-amino-4'-methyldiphenyl ether when compared with the control group, while in mice pretreated with p-amino-2',4'-dichlorodiphenyl ether the hepatic microsome P450 content increased but the pentobarbital sleeping time was extended in clear contrast to the control group. The sleeping time of the phenobarbital group (80 mg/kg daily ip injection for 4 days) was shortened at 24 h after the last injection with increased P450 content of hepatic microsome, but it showed no difference at 48 h. The zoxazolamine-paralysis times of mice treated with p-amino-2',4'-dichlorodiphenyl ether were longer than those of the control mice, while the same dose of zoxazolamine did not lead to paralysis in mice pretreated with BNF. p-Amino-2',4'-dichlorodiphenyl ether and p-amino-4'-methyldiphenyl ether inhibited the activity of 7-ethoxyresorufin O-deethylase from rat hepatic microsome induced by BNF in vitro by 70.0% and 50.1% respectively. These results suggest that p-amino-2',4'-dichlorodiphenyl ether and p-amino-4'-methyldiphenyl ether are inhibitors as well as inducers of P450.

Etude structurale et vibrationnelle d'un nouveau composé complexe de cobalt: [Co(imidazole)4Cl]Cl.

Science.gov (United States)

Derbel, Amira; Mhiri, Tahar; Graia, Mohsen

2015-10-01

In the title complex, chlorido-tetra-kis-(1H-imidazole-κN (3))cobalt(II) chloride, [CoCl(C3H4N2)4]Cl, the Co(II) cation has a distorted square-pyramidal coordination environment. It is coordinated by four N atoms of four imidazole (Im) groups in the basal plane, and by a Cl atom in the apical position. It is isostructural with [Cu(Im)4Cl]Cl [Morzyk-Ociepa et al. (2012 ▸). J. Mol. Struct. 1028, 49-56] and [Cu(Im)4Br]Br [Hossaini Sadr et al. (2004 ▸). Acta Cryst. E60, m1324-m1326]. In the crystal, the [CoCl(C3H4N2)4](+) cations and Cl(-) anions are linked via N-H⋯Cl hydrogen bonds, forming layers parallel to (010). These layers are linked via C-H⋯Cl hydrogen bonds and C-H⋯π and π-π [inter-centroid distance = 3.794 (2) Å] inter-actions, forming a three-dimensional framework. The IR spectrum shows vibrational bands typical for imidazol groups. The monoclinic unit cell of the title compound emulates an ortho-rhom-bic cell as its β angle is close to 90°. The crystal is twinned, with the refined ratio of twin components being 0.569 (1):0.431 (1).

Gasoline ether oxygenate occurrence in Europe, and a review of their fate and transport characteristics in the environment

Energy Technology Data Exchange (ETDEWEB)

Stupp, D.; Gass, M.; Leiteritz, H. [Dr. Stupp Consulting DSC, Tauw, Bergisch Gladbach (Germany); Pijls, C. [TAUW, Apeldoorn (Netherlands); Thornton, S. [University of Sheffield, Sheffield (United Kingdom); Smith, J.; Dunk, M.; Grosjean, T.; Den Haan, K. [CONCAWE, Brussels (Belgium)

2012-06-15

Ether oxygenates are added to certain gasoline (petrol) formulations to improve combustion efficiency and to increase the octane rating. In this report the term gasoline ether oxygenates (GEO) refers collectively to methyl tertiary butyl ether (MTBE), ethyl tertiary butyl ether (ETBE), tertiary amyl methyl ether (TAME), diisopropyl ether (DIPE), tertiary amyl ethyl ether (TAEE), tertiary hexyl methyl ether (THxME), and tertiary hexyl ethyl ether (THxEE), as well as the associated tertiary butyl alcohol (TBA). This report presents newly collated data on the production capacities and use of MTBE, ETBE, TAME, DIPE and TBA in 30 countries (27 EU countries and Croatia, Norway and Switzerland) to inform continued and effective environmental management practices for GEO by CONCAWE members. The report comprises data on gasoline use in Europe that were provided by CONCAWE and obtained from the European Commission. Furthermore Societe Generale de Surveillance (SGS) provided detailed analytical data (more than 1,200 sampling campaigns) on the GEO composition of gasoline in European countries in the period 2000-2010. Another major aspect of this report is the investigation of GEO distribution in groundwater, drinking water, surface water, runoff water, precipitation (rain/snow) and air in the European environment. Apart from the general sources of literature for the study, local environmental authorities and institutes in the 30 European countries have been contacted for additional information. Finally, a review of the international literature on GEO natural attenuation processes was undertaken with a focus on international reports and peer-reviewed scientific publications to give an overview on the known fate, transport and degradation mechanisms of GEO in the subsurface, to inform risk-management strategies that may rely on natural attenuation processes. The literature reveals that all GEO compounds used in fuels are highly water soluble and weakly retarded by aquifer

cis-Tetra­chloridobis(1H-imidazole-κN 3)platinum(IV)

Science.gov (United States)

Bokach, Nadezhda A.; Kukushkin, Vadim Yu.; Izotova, Yulia A.; Usenko, Natalia I.; Haukka, Matti

2012-01-01

In the title complex, cis-[PtCl4(C3H4N2)2], the PtIV ion lies on a twofold rotation axis and is coordinated in a slightly distorted octa­hedral geometry. The dihedral angle between the imidazole rings is 69.9 (2)°. In the crystal, mol­ecules are linked by N—H⋯Cl hydrogen bonds, forming a three-dimensional network. PMID:22590070

Model Studies of the Histidine-Tyrosine Cross-Link in Cytochrome c Oxidase Reveal the Flexible Substituent Effect of the Imidazole Moiety

Science.gov (United States)

Pratt, Derek A.; Pesavento, Russell P.; van der Donk, Wilfred A.

2010-01-01

Experimental and theoretical studies were carried out to interrogate the effect of an imidazole substituent in each of the ortho, meta, and para positions on the pKa, E°, and O–H BDE of phenol. The results reveal that imidazole substitution lowers the pKa of phenol and increases the E° of phenoxide due to its σ-electron withdrawing ability (σp− = +0.21, σm− = +0.45) but decreases the O–H BDE and E° of phenol due to its σ-electron-donating ability (σp+ = −0.45). PMID:15957934

Poly(mono/diethylene glycol n-tetradecyl ether vinyl ethers with Various Molecular Weights as Phase Change Materials

Directory of Open Access Journals (Sweden)

Dongfang Pei

2018-02-01

Full Text Available At present, research on the relationship of comb-like polymer phase change material structures and their heat storage performance is scarce. Therefore, this relationship from both micro and macro perspectives will be studied in this paper. In order to achieve a high phase change enthalpy, ethylene glycol segments were introduced between the vinyl and the alkyl side chains. A series of poly(mono/diethylene glycol n-tetradecyl ether vinyl ethers (PC14EnVEs (n = 1, 2 with various molecular weights were polymerized by living cationic polymerization. The results of PC14E1VE and PC14E2VE showed that the minimum number of carbon atoms required for side-chain crystallization were 7.7 and 7.2, which were lower than that reported in the literature. The phase change enthalpy 89 J/g (for poly(mono ethylene glycol n-tetradecyl ether vinyl ethers and 86 J/g (for poly(hexadecyl acrylate were approximately equal. With the increase of molecular weight, the melting temperature, the melting enthalpy, and the initial thermal decomposition temperature of PC14E1VE changed from 27.0 to 28.0 °C, from 95 to 89 J/g, and from 264 to 287 °C, respectively. When the number average molar mass of PC14EnVEs exceeded 20,000, the enthalpy values remained basically unchanged. The introduction of the ethylene glycol chain was conducive to the crystallization of alkyl side chains.

Pore closure in zeolitic imidazolate frameworks under mechanical pressure.

Science.gov (United States)

Henke, Sebastian; Wharmby, Michael T; Kieslich, Gregor; Hante, Inke; Schneemann, Andreas; Wu, Yue; Daisenberger, Dominik; Cheetham, Anthony K

2018-02-14

We investigate the pressure-dependent mechanical behaviour of the zeolitic imidazolate framework ZIF-4 (M(im) 2 ; M 2+ = Co 2+ or Zn 2+ , im - = imidazolate) with high pressure, synchrotron powder X-ray diffraction and mercury intrusion measurements. A displacive phase transition from a highly compressible open pore ( op ) phase with continuous porosity (space group Pbca , bulk modulus ∼1.4 GPa) to a closed pore ( cp ) phase with inaccessible porosity (space group P 2 1 / c , bulk modulus ∼3.3-4.9 GPa) is triggered by the application of mechanical pressure. Over the course of the transitions, both ZIF-4 materials contract by about 20% in volume. However, the threshold pressure, the reversibility and the immediate repeatability of the phase transition depend on the metal cation. ZIF-4(Zn) undergoes the op-cp phase transition at a hydrostatic mechanical pressure of only 28 MPa, while ZIF-4(Co) requires about 50 MPa to initiate the transition. Interestingly, ZIF-4(Co) fully returns to the op phase after decompression, whereas ZIF-4(Zn) remains in the cp phase after pressure release and requires subsequent heating to switch back to the op phase. These variations in high pressure behaviour can be rationalised on the basis of the different electron configurations of the respective M 2+ ions (3d 10 for Zn 2+ and 3d 7 for Co 2+ ). Our results present the first examples of op-cp phase transitions ( i.e. breathing transitions) of ZIFs driven by mechanical pressure and suggest potential applications of these functional materials as shock absorbers, nanodampers, or in mechanocalorics.

DNA-Directed alkylating agents. 7. Synthesis, DNA interaction, and antitumor activity of bis(hydroxymethyl)- and bis(carbamate)-substituted pyrrolizines and imidazoles.

Science.gov (United States)

Atwell, G J; Fan, J Y; Tan, K; Denny, W A

1998-11-19

A series of bis(hydroxymethyl)-substituted imidazoles, thioimidazoles, and pyrrolizines and related bis(carbamates), linked to either 9-anilinoacridine (intercalating) or 4-(4-quinolinylamino)benzamide (minor groove binding) carriers, were synthesized and evaluated for sequence-specific DNA alkylation and cytotoxicity. The imidazole and thioimidazole analogues were prepared by initial synthesis of [(4-aminophenyl)alkyl]imidazole-, thioimidazole-, or pyrrolizine dicarboxylates, coupling of these with the desired carrier, and reduction to give the required bis(hydroxymethyl) alkylating moiety. The pyrrolizines were the most reactive alkylators, followed by the thioimidazoles, while the imidazoles were unreactive. The pyrrolizines and some of the thioimidazoles cross-linked DNA, as measured by agarose gel electrophoresis. Strand cleavage assays showed that none of the compounds reacted at purine N7 or N3 sites in the gpt region of the plasmid gpt2Eco, but the polymerase stop assay showed patterns of G-alkylation in C-rich regions. The corresponding thioimidazole bis(carbamates) were more selective than the bis(hydroxymethyl) pyrrolizines, with high-intensity bands at 5'-NCCN, 5'-NGCN and 5'-NCGN sequences in the PCR stopping assay ( indicates block sites). The data suggest that these targeted compounds, like the known thioimidazole bis(carbamate) carmethizole, alkylate exclusively at guanine residues via the 2-amino group, with little or no alkylation at N3 and N7 guanine or adenine sites. The cytotoxicities of the compounds correlated broadly with their reactivities, with the bis(hydroxymethyl)imidazoles being the least cytotoxic (IC50s >1 microM; P388 leukemia) and with the intercalator-linked analogues being more cytotoxic than the corresponding minor-groove-targeted ones. This was true also for the more reactive thioimidazole bis(carbamates) (IC50s 0.8 and 11 microM, respectively), but both were more active than the analogous "untargeted" carmethizole (IC50 20

Electron spin resonance and E.N.D.O.R. double resonance study of free radicals produced by gamma irradiation of imidazole single crystals; Etude par resonance paramagnetique electronique et double resonance E.N.D.O.R. des radicaux libres crees par irradiation gamma de monocristaux d'imidazole

Energy Technology Data Exchange (ETDEWEB)

Lamotte, B [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

1970-07-01

Gamma irradiation of imidazole single crystals at 300 deg. K gives two radicals. Identification and detailed studies of their electronic and geometric structure have been made by ESR and ENDOR techniques. A study of the hydrogen bonded protons hyperfine tensor is made and let us conclude to the inexistence of movement and tunneling of these protons. The principal low temperature radical, produced by gamma irradiation at 77 deg. K has been also studied by ESR and a model has been proposed. (author) [French] L'irradiation gamma de monocristaux d'imidazole a 300 deg. K conduit a deux radicaux dont l'identification et l'etude detaillee des structures electroniques et geometriques ont ete obtenues par la resonance paramagnetique electronique (RPE) et la double resonance ENDOR. En particulier l'examen des protons de la liaison hydrogene permet de conclure, pour ceux-ci, a l'inexistence de tout mouvement par effet tunnel. De plus, l'analyse des spectres de RPE du radical principal cree par irradiation gamma de l'imidazole a 77 deg. K nous a permis de proposer un modele pour ce radical. (auteur)

Sulfonated polyphenyl ether by electropolymerization

International Nuclear Information System (INIS)

Hou Hongying; Vacandio, Florence; Di Vona, Maria Luisa; Knauth, Philippe

2012-01-01

Highlights: ► Sulfonated polyphenyl ether was for the first time electropolymerized. ► This technique allows the economical preparation of ionomeric membranes for electrochemical energy technologies. ► The mechanism of electropolymerization was discussed in detail. - Abstract: Electropolymerization of sulfonated phenol was for the first time achieved and studied by cyclic voltammetry (CV) and chronoamperometry on stainless steel substrates. The obtained sulfonated polyphenyl ether was characterized in terms of impedance spectroscopy, nuclear magnetic resonance (NMR), energy dispersive X-ray analysis (EDX), X-ray diffraction (XRD) and Fourier-Transform Infrared (FTIR) spectroscopy. Dense films of micrometer thickness can be obtained; the proton conductivity is about 3 mS/cm at room temperature.

Increased urinary imidazolepropionic acid, n-acetylhistamine and other imidazole compounds in patients with intestinal disorders

NARCIS (Netherlands)

Heiden, C. van der; Wadman, S.K.; Bree, P.K. de; Wauters, E.A.K.

In 26 out of a large group of patients with gastrointestinal disorders abnormal urinary imidazole excretion patterns were found. Most frequently excessive or increased amounts of imidazolepropionic acid (ImPA) occurred, and as next N-acetylhistamine was excreted in excess. In a number of cases the

Synthesis and evaluation of alpha-[[(2-haloethyl)amino]methyl]-2- nitro-1H-imidazole-1-ethanols as prodrugs of alpha-[(1-aziridinyl)methyl]-2- nitro-1H-imidazole-1-ethanol (RSU-1069) and its analogues which are radiosensitizers and bioreductively activated cytotoxins

International Nuclear Information System (INIS)

Jenkins, T.C.; Naylor, M.A.; O'Neill, P.; Threadgill, M.D.; Cole, S.; Stratford, I.J.; Adams, G.E.; Fielden, E.M.; Suto, M.J.; Stier, M.A.

1990-01-01

alpha-[(1-Aziridinyl)methyl]-2-nitro-1H-imidazole-1-ethanols, of general formula ImCH2CH(OH)CH2NCR1R2CR3R4, where Im = 2-nitroimidazole and R1, R2, R3, R4 = H, Me, are radiosensitizers and selective bioreductively activated cytotoxins toward hypoxic tumor cells in vitro and in vivo. Treatment of the aziridines with hydrogen halide in acetone or aqueous acetone gave the corresponding 2-haloethylamines of general formula ImCH2CH(OH)CH2(+)-NH2CR1R2CR3R4X X-, where R1, R2, R3, R4 = H, Me, and X = F, Cl, Br, I. These 2-haloethylamines were evaluated as prodrugs of the parent aziridines. The rates of ring closure in aqueous solution at pH approximately 6 were found to increase with increasing methyl substitution and to depend on the nature of the leaving group (I approximately Br greater than Cl much greater than F). A competing reaction of ImCH2CH(OH)CH2+NH2CH2CH2X X- (X = Cl, Br) with aqueous HCO3- ions gives 3-[2-hyroxy-3-(2-nitro-1H-imidazol-1-yl)propyl]-2-oxazolidinone. The activities of these prodrugs as radiosensitizers or as bioreductively activated cytotoxins were consistent with the proportion converted to the parent aziridine during the course of the experiment. alpha-[[(2-Bromoethyl)amino]methyl]-2-nitro-1H-imidazole-1- ethanol (RB 6145, 10), the prodrug of alpha-[(1-aziridinyl)methyl]-2-nitro-1H-imidazole-1-ethanol (RSU-1069, 3), is identified as the most useful compound in terms of biological activity and rate of ring closure under physiological conditions

Model studies of the Cu(B) site of cytochrome c oxidase utilizing a Zn(II) complex containing an imidazole-phenol cross-linked ligand.

Science.gov (United States)

Pesavento, Russell P; Pratt, Derek A; Jeffers, Jerry; van der Donk, Wilfred A

2006-07-21

Cytochrome c oxidase, the enzyme complex responsible for the four-electron reduction of O2 to H2O, contains an unusual histidine-tyrosine cross-link in its bimetallic heme a3-CuB active site. We have synthesised an unhindered, tripodal chelating ligand, BPAIP, containing the unusual ortho-imidazole-phenol linkage, which mimics the coordination environment of the CuB center. The ligand was used to investigate the physicochemical (pKa, oxidation potential) and coordination properties of the imidazole-phenol linkage when bound to a dication. Zn(II) coordination lowers the pKa of the phenol by 0.6 log units, and increases the potential of the phenolate/phenoxyl radical couple by approximately 50 mV. These results are consistent with inductive withdrawal of electron density from the phenolic ring. Spectroscopic data and theoretical calculations (DFT) were used to establish that the cationic complex [Zn(BPAIP)Br]+ has an axially distorted trigonal bipyramidal structure, with three coordinating nitrogen ligands (two pyridine and one imidazole) occupying the equatorial plane and the bromide and the tertiary amine nitrogen of the tripod in the axial positions. Interestingly, the Zn-Namine bonding interaction is weak or absent in [Zn(BPAIP)Br]+ and the complex gains stability in basic solutions, as indicated by 1H NMR spectroscopy. These observations are supported by theoretical calculations (DFT), which suggest that the electron-donating capacity of the equatorial imidazole ligand can be varied by modulation of the protonation and/or redox state of the cross-linked phenol. Deprotonation of the phenol makes the equatorial imidazole a stronger sigma-donor, resulting in an increased Zn-Nimd interaction and thereby leading to distortion of the axial ligand axis toward a more tetrahedral geometry.

Crystal structures of eight 3D molecular adducts derived from bis-imidazole, bis(benzimidazole), and organic acids

Science.gov (United States)

Ding, Aihua; Jin, Shouwen; Jin, Shide; Hu, KaiKai; Lin, Zhihao; Liu, Hui; Wang, Daqi

2018-01-01

Cocrystallization of the bis(imidazole)/bis(benzimidazole) with a series of organic acids gave a total of eight molecular adducts with the compositions: (3,6-bis(imidazole-1-yl)pyridazine): (trichloroacetic acid)2(1) [(H2L1)2+ · (tca-)2, L1 = 3,6-bis(imidazole-1-yl)pyridazine, tca- = trichloroacetate], (bis(N-imidazolyl)methane): (suberic acid) (2) [(L2) · (H2suba), L2 = bis(N-imidazolyl)methane, H2suba = suberic acid], bis(N-imidazolyl)methane: (3-nitrophthalic acid): 3H2O (3) [(H2L2)2+ · (3-Hnpa-)2 · 3H2O, 3-Hnpa- = 3-nitro hydrogenphthalate], (bis(N-imidazolyl)butane)0.5: (4-nitrophthalic acid): H2O (4) [(H2L3)0.5+ · (4-Hnpa-)- · H2O, L3 = bis(N-imidazolyl)butane, 4-Hnpa- = 4-nitro hydrogenphthalate], (1-(3-(1H-benzimidazol-1-yl)propyl)-1H-benzimidazole): (3,5-dinitrosalicylic acid) (5) [(HL4) · (3,5-dns-), L4 = 1-(3-(1H-benzimidazol-1-yl)propyl)-1H-benzimidazole, 3,5-dns- = 3,5-dinitrosalicylate], (1-(3-(1H-benzimidazol-1-yl)propyl)-1H-benzimidazole): (3-nitrophthalic acid) (6) [(H2L4) · (3-npa2-), L4 = 1-(3-(1H-benzimidazol-1-yl)propyl)-1H-benzimidazole, 3-npa2-=3-nitrogenphthalate], (bis(N-imidazolyl)butane): (pamoic acid) (7) [(H2L3) · (pam), pam = pamoate], and (3,6-bis(imidazole-1-yl)pyridazine): (1,5-naphthalenedisulfonic acid) [(H2L1)2+ · (npda)2- = 1,5-naphthalenedisulfonate] (8). The eight adducts have been characterized by X-ray diffraction technique, infrared spectrum, and elemental analysis, and the melting points of all adducts were also reported. And their structural and supramolecular aspects are fully analyzed. The result reveals that among the eight investigated crystals both the end ring N in the bis(imidazole) moieties are protonated when the organic acids are deprotonated except 2, and 5, and the crystal packing is interpreted in terms of the strong ionic Nsbnd H⋯O H-bond between the imidazolium and the deprotonated acidic groups. Except the Nsbnd H⋯O H-bond, the Osbnd H⋯O H-bonds were also found at the salts 3, 4

Changes in the hydration structure of imidazole upon protonation: Neutron scattering and molecular simulations

Czech Academy of Sciences Publication Activity Database

Duboué-Dijon, Elise; Mason, Philip E.; Fischer, H. E.; Jungwirth, Pavel

2017-01-01

Roč. 146, č. 18 (2017), č. článku 185102. ISSN 0021-9606 R&D Projects: GA ČR(CZ) GBP208/12/G016 Institutional support: RVO:61388963 Keywords : imidazole protonation * molecular dynamics * neutron scattering Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 2.965, year: 2016

Preliminary Investigation of Poly-Ether-Ether-Ketone Based on Fused Deposition Modeling for Medical Applications

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Feng Zhao

2018-02-01

Full Text Available Poly-ether-ether-ketone (PEEK fabricated by fused deposition modeling for medical applications was evaluated in terms of mechanical strength and in vitro cytotoxicity in this study. Orthogonal experiments were firstly designed to investigate the significant factors on tensile strength. Nozzle temperature, platform temperature, and the filament diameter were tightly controlled for improved mechanical strength performance. These sensitive parameters affected the interlayer bonding and solid condition in the samples. Fourier transform infrared (FTIR spectrometry analysis was secondly conducted to compare the functional groups in PEEK granules, filaments, and printed parts. In vitro cytotoxicity test was carried out at last, and no toxic substances were introduced during the printing process.

Low-temperature direct heterogeneous bonding of polyether ether ketone and platinum.

Science.gov (United States)

Fu, Weixin; Shigetou, Akitsu; Shoji, Shuichi; Mizuno, Jun

2017-10-01

Direct heterogeneous bonding between polyether ether ketone (PEEK) and Pt was realized at the temperatures lower than 150°C. In order to create sufficient bondability to diverse materials, the surface was modified by vacuum ultraviolet (VUV) irradiation, which formed hydrate bridges. For comparison, direct bonding between surfaces atomically cleaned via Ar fast atom bombardment (FAB) was conducted in a vacuum. The VUV irradiation was found to be effective for creating an ultrathin hydrate bridge layer from the residual water molecules in the chamber. Tight bonds were formed through dehydration of the hydrate bridges by heating at 150°C, which also contributed to enhancing interdiffusion across the interface. The VUV-modified surfaces showed bondability as good as that of the FAB-treated surfaces, and the VUV-modified samples had shear strengths at the same level as those of FAB-treated surfaces. This technology will be of practical use in the packaging of lightweight, flexible biomedical devices. Copyright © 2017 Elsevier B.V. All rights reserved.

The Effect of Time dealumination and Solvent Concentration in Synthesis of Zeolite Catalyst and Catalytic Test for DiEthyl Ether Production Process

International Nuclear Information System (INIS)

Widayat; Roesyadi, A.; Rachimoellah, M.

2009-01-01

Ethanol is an alternative energy, but its has three distinct disadvantages as a transportation fuel. Its availability is currently limited, and it has a lower volumetric heating value and a lower Reid vapour pressure (RVP) than gasoline. This paper focuses for this disadvantages and to solve this problem can do with converts ethanol to DiEthyl Ether product. This research produced DiEthyl Ether by ethanol dehydration process with zeolite as catalyst. The catalyst synthesis from natural material from District Gunung Kidul, Indonesia. The catalyst produced with dealumination, neutralization, drying and calcination processes. The zeolite catalyst was analysed of Si/Al, X-ray Diffraction and specific surface area. The catalyst product then used for ethanol dehydration to produce DiEthyl Ether. The results shown the biggest surface area is 184,52 m 2 /gram at catalyst production at 10 hours for time dealumination. The crystallite of catalyst product is similar like shown at diffractogram of XRD analysis. The ratio Si/Al biggest is 313.7 that obtaining at catalyst production with 7 hours for time dealumination. The catalytic test use fixed bed reactor with 1 inci diameter and ethanol fermentation both as feed. The operation condition is 150 deg. C at temperature and atmosphere pressure. The compounds product in liquid phase are diethyl ether, methanol and water.

Reinforcement of poly ether sulphones (PES) with exfoliated graphene oxide for aerospace applications

International Nuclear Information System (INIS)

Balasubramanian, K

2012-01-01

Composite materials have been used for aerospace for some time now and have gained virtually 100% acceptance as the materials of choice. Speciality polymers like poly ether sulphones (PES), poly ether ether ketones(PEEK), poly ether imides (PEI) are highly preferred materials as plastic matrix due to their superior temperature performance, excellent wear and friction resistance, excellent dimensional accuracy, high tensile strength, high modulus, precise machinability and chemical resistance. In recent years nanoadditives like single and multiwall carbon nanotubes, graphenes and graphene oxides(GO) are finding huge market potential in aerospace and automobile industries. But manufacture related factors such as particle/ matrix interphases, surface activation, mixing process, particle agglomeration, particle size and shape may lead to different property effects. In this research GO/PES composites were prepared by high shear melt blending technique. GO monolayers were exfoliated from natural graphite flake and dispersed homogeneously in PES matrix for the GO content ranging between 0.5 to 2.0 volume percentage with a high shear twin screw batch mixer. These melt blended nanocomposites were injection moulded for mechanical property validation of tensile strength, flexural modulus and impact resistance. Addition of 0.5 volume percentage of GO enhanced the tensile strength and flexural modulus by 40% and 90% respectively. The results show that addition of GO to PES increase mechanical properties due to the formation of continuous network, good dispersion and strong interfacial interactions. The strong interfacial interactions were accounted for the increase in glass transition temperature. Also there was a significant improvement in the impact resistance of the PES/ GO nanocomposite. The injection moulded samples were tested for stealth performance by measuring the electromagnetic shielding property.

Densely quaternized poly(arylene ether)s with distinct phase separation for highly anion-conductive membranes

Science.gov (United States)

Hu, Yuanfang; Wang, Bingxi; Li, Xiao; Chen, Dongyang; Zhang, Weiying

2018-05-01

To develop high performance anion exchange membranes (AEMs), a novel bisphenol monomer bearing eight benzylmethyl groups at the outer edge of the molecule was synthesized, which after condensation polymerization with various amounts of 4,4‧-dihydroxydiphenylsulfone and 4,4‧-difluorobenzophenone yielded novel poly(arylene ether)s with densely located benzylmethyl groups. These benzylmethyl groups were then converted to quaternary ammonium groups by radical-initiated bromination and quaternization in tandem, leading to the emergence of densely quaternized poly(arylene ether sulfone)s (QA-PAEs) with controlled ion exchange capacities (IECs) ranging from 1.61 to 2.32 mmol g-1. Both small-angle X-ray scattering (SAXS) and transmission electron microscopy (TEM) studies revealed distinct phase separation in the QA-PAEs. The QA-PAE-40 with an IEC of 2.32 mmol g-1 exhibited a Br- conductivity of 9.2 mS cm-1 and a SO42- conductivity of 14.0 mS cm-1 at room temperature, much higher than those of a control membrane with a similar IEC but without obvious phase separation. Therefore, phase separation of AEMs was validated to be advantageous for the efficient conducting of anions. The experimental results also showed that the QA-PAEs were promising AEM materials, especially for non-alkaline applications.

40 CFR 721.10017 - Amine terminated bisphenol A diglycidyl ether polymer (generic).

Science.gov (United States)

2010-07-01

... diglycidyl ether polymer (generic). 721.10017 Section 721.10017 Protection of Environment ENVIRONMENTAL... ether polymer (generic). (a) Chemical substances and significant new uses subject to reporting. (1) The chemical substances identified generically as amine terminated bisphenol A diglycidyl ether polymer (PMNs P...

Congenital malformations and maternal occupational exposure to glycol ethers

NARCIS (Netherlands)

Cordier, S; Bergeret, A; Goujard, J; Ha, MC; Ayme, S; Calzolari, E; DeWalle, HEK; KnillJones, R; Candela, S; Dale, [No Value; Dananche, B; deVigan, C; Fevotte, J; Kiel, G; Mandereau, L

Glycol ethers are found in a wide range of domestic and industrial products, many of which are used in women's work environments. Motivated by concern about their potential reproductive toxicity, we have evaluated the risk of congenital malformations related to glycol ether exposure during preg

Tannic acid Catalyzed an Efficient Synthesis of 2,4,5-Triaryl-1H-Imidazole

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Shitole Nana Vikram

2013-05-01

Full Text Available Tannic acid (C76H52O46 has been found to be an efficient catalyst for one-pot synthesis of 2,4,5-triaryl substituted imidazoles by the reaction of an arylaldehyde, benzyl/benzoin and an ammonium acetate. The short reaction time and excellent yields making this protocol practical and economically attractive.

Spectroscopic analysis and molecular docking of imidazole derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations

Science.gov (United States)

Thomas, Renjith; Hossain, Mossaraf; Mary, Y. Sheena; Resmi, K. S.; Armaković, Stevan; Armaković, Sanja J.; Nanda, Ashis Kumar; Ranjan, Vivek Kumar; Vijayakumar, G.; Van Alsenoy, C.

2018-04-01

Solvent-free synthesis pathway for obtaining two imidazole derivatives (2-chloro-1-(4-methoxyphenyl)-4,5-dimethyl-1H-imidazole (CLMPDI) and 1-(4-bromophenyl)-2-chloro-4,5-dimethyl-1H-imidazole (BPCLDI) has been reported in this work, followed by detailed experimental and computational spectroscopic characterization and reactivity study. Spectroscopic methods encompassed IR, FT-Raman and NMR techniques, with the mutual comparison of experimentally and computationally obtained results at DFT/B3LYP level of theory. Reactivity study based on DFT calculations encompassed molecular orbitals analysis, followed by calculations of molecular electrostatic potential (MEP) and average local ionization energy (ALIE) values, Fukui functions and bond dissociation energies (BDE). Additionally, the stability of title molecules in water has been investigated via molecular dynamics (MD) simulations, while interactivity with aspulvinonedimethylallyl transferase protein has been evaluated by molecular docking procedure. CLMPDI compound showed antimicrobial activity against all four bacterial strain in both gram positive and gram negative bacteria while, BPCLDI showed only in gram positive bacteria, Staphylococcus Aureus (MTCC1144). The first order hyperpolarizability of CLMPDI and BPCLDI are 20.15 and 6.10 times that of the standard NLO material urea.

DFT/TDDFT investigation on the electronic structures and photophysical properties of phosphorescent iridium(III) complexes with 2-(pyridin-2-yl)-benzo[d]imidazole ligand

Energy Technology Data Exchange (ETDEWEB)

Shang, Xiaohong, E-mail: shangxiaohong58@aliyun.com [College of Chemistry and Life Science, Changchun University of Technology, Changchun 130012 (China); Han, Deming [School of Life Science and Technology, Changchun University of Science and Technology, Changchun 130022 (China); Li, Dongfeng [College of Chemistry and Life Science, Changchun University of Technology, Changchun 130012 (China); Zhang, Gang [State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023 (China)

2014-03-15

We have reported a theoretical analysis of a series of heteroleptic iridium(III) complexes (mpmi){sub 2}Ir(pybi) [mpmi=1-(4-tolyl)-3-methyl-imidazole, pybi=2-(pyridin-2-yl)-benzo[d]imidazole] (1a), (fpmi){sub 2}Ir(pybi) [fpmi=1-(4-fluoro-phenyl)-3-methyl-imidazole] (1b), (tfpmi){sub 2}Ir(pybi) [tfpmi=1-methyl-3-(4-trifluoromethyl-phenyl)-imidazole] (1c), (pypmi){sub 2}Ir(pybi) [pypmi=3-(3-methyl-imidazol)-pyrazole] (2a), (phpymi){sub 2}Ir(pybi) [phpymi=3-(3-methyl-imidazol)-5-phenyl-pyrazole] (2b), and (inpymi){sub 2}Ir(pybi) [inpymi=3-(3-methyl-imidazol)-indeno[1,2-c]pyrazole] (2c) by using the density functional theory (DFT) method to investigate their electronic structures and photophysical properties and obtain further insights into the phosphorescent efficiency mechanism. By changing cyclometalated ligands, the conjugation length, and substituents of the cyclometalated ligands, one can tune the emission color from green (λ{sub em}=520 nm) to orange (λ{sub em}=592 nm). Complexes 1a, 1b, 2a, and 2b have the almost identical emission wavelength about 550 nm, while 592 nm for 1c and 520 nm for 2c are red shifted and blue shifted, respectively, relative to 1a. The calculated results indicate that, for 1b and 1c, the substituents of −F and −CF{sub 3} at the phenyl moiety cause a poor hole-injection ability compared with that of 1a. For all these complexes studied, the hole-transporting performances are better than the electron-transporting ones. The difference between reorganization energies for hole transport (λ{sub ih}) and reorganization energies for electron transport (λ{sub ie}) for complex 1c are relatively smaller, indicating that the hole and electron transfer balance could be achieved more easily in the emitting layer. The alteration of cyclometalated ligands with different conjugation lengths and substituents has an impact on the optoelectronic properties of these complexes. It is believed that the larger metal to ligand charge transfer (MLCT

Direct transformation of silyl enol ethers into functionalized allenes.

Science.gov (United States)

Langer, P; Döring, M; Seyferth, D; Görls, H

2001-02-02

The first elimination reactions of silyl enol ethers to lithiated allenes are reported. These reactions allow a direct transformation of readily available silyl enol ethers into functionalized allenes. The action of three to four equivalents of lithium diisopropylamide (LDA) on silyl enol ethers results in the formation of lithiated allenes by initial allylic lithiation, subsequent elimination of a lithium silanolate, and finally, lithiation of the allene thus formed. Starting with amide-derived silyl imino ethers, lithiated ketenimines are obtained. A variety of reactions of the lithiated allenes with electrophiles (chlorosilanes, trimethylchlorostannane, dimethyl sulfate and ethanol) were carried out. Elimination of silanolate is observed only for substrates that contain the hindered SiMe2tBu or Si(iPr)3 moiety, but not for the SiMe3 group. The reaction of 1,1-dilithio-3,3-diphenylallene with ketones provides a convenient access to novel 1,1-di(hydroxymethyl)allenes which undergo a domino Nazarov-Friedel-Crafts reaction upon treatment with p-toluenesulfonic acid.

Synthesis, Crystal Structure and Luminescent Property of A Novel Cd(II) Coordination Polymer with Bis-imidazole Ligand

International Nuclear Information System (INIS)

Zhou, Yong Hong

2013-01-01

The key to the successful design of metal-organic coordination polymers is the judicious selection of organic ligand. Recently, polydentate aromatic nitrogen heterocyclic ligands with five-membered rings have been well-studied in the construction of supramolecular structure for their N-coordinated sites apt to coordinating to transition metals. Similar to six-membered N-heterocyclic ligands, the azole-based five-membered N-heterocyclic ligands, such as imidazoles, triazoles and tetrazoles have been extensively employed in the construction of various coordination polymers with diverse topologies and interesting properties. The bis(azole) ligands in which N-donor azole rings (imidazole, triazole, or tetrazole) are separated by alkyl, (CH 2 ) n , spacers are good choices for flexible bridging ligands. The conformational flexibility of the spacers makes the ligands adaptable to various coordination networks with one-, two-, and three dimensional structures

Williamson alkylation approach to the synthesis of poly(alkyl vinyl ether) copolymers

International Nuclear Information System (INIS)

Markova, D.; Christova, D.; Velichkova, R.

2008-01-01

A method for synthesis of poly(alkyl vinyl ether-co-vinyl alcohol) copolymers was developed based on the Williamson's alkylation of poly(vinyl acetate) (PVAc) with alkyl iodides. The influence of the alkylating agent and the reaction conditions on the efficiency of the modification reaction was investigated. The copolymers obtained were characterized by means of 1 H NMR and GPC. It was proved that by applying the proposed method copolymers of different composition and properties containing methyl vinyl ether, ethyl vinyl ether as well as n-butyl vinyl ether units could be prepared. Poly(methyl vinyl ether-co-vinyl alcohol)s of high degree of methylation exhibit sharp temperature response at 38-39 deg C in aqueous solution typical of the so-called smart polymers. (authors)

Fine-scale tribological performance of zeolitic imidazolate framework (ZIF-8 based polymer nanocomposite membranes

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Nay Win Khun

2014-12-01

Full Text Available We combined zeolitic imidazolate framework nanoparticles (ZIF-8: ˜150 nm diameter with Matrimid® 5218 polymer to form permeable mixed matrix membranes, featuring different weight fractions of nanoparticles (up to 30 wt. % loading. We used ball-on-disc micro-tribological method to measure the frictional coefficient of the nanocomposite membranes, as a function of nanoparticle loading and annealing heat treatment. The tribological results reveal that the friction and wear of the unannealed samples rise steadily with greater nanoparticle loading because ZIF-8 is relatively harder than the matrix, thus promoting abrasive wear mechanism. After annealing, however, we discover that the nanocomposites display an appreciably lower friction and wear damage compared with the unannealed counterparts. Evidence shows that the major improvement in tribological performance is associated with the greater amounts of wear debris derived from the annealed nanocomposite membranes. We propose that detached Matrimid-encapsulated ZIF-8 nanoparticles could function as “spacers,” which are capable of not only reducing direct contact between two rubbing surfaces but also enhancing free-rolling under the action of lateral forces.

Planck's constant and the three waves (TWs) of Einstein's covariant ether

Science.gov (United States)

Kostro, L.

1985-11-01

The implications of a three-wave model for elementary particles, satisfying the principles of both quantum mechanics and General Relativity (GR), are discussed. In GR, the ether is the fundamental source of all activity, where particles (waves) arise at singularities. Inertia and gravity are field properties of the ether. In flat regions of the space-time geodesic, wave excitations correspond to the presence of particles. A momentum-carrying excitation which occurs in the ether is a superluminal radiation (phase- or B-waves) which transports neither energy nor mass. Superposition of the B-waves produces soliton-like excitations on the ether to form C-waves, i.e., particles. The particle-waves travel through space-time on D-waves, and experience reflection, refraction and interference only where B-waves have interacted with the ether. The original particles, photons-maximons, existed at the Big Bang and had physical properties which are describable in terms of Planck's quantities.

Oil recovery with sulfomethylated poly (lower alkyl vinyl ether/maleic anhydride)

Energy Technology Data Exchange (ETDEWEB)

Norton, C.J.; Falk, D.O.

1973-05-22

Lower alkyl vinyl ether e.g., methyl vinyl ether, propyl vinyl ether, isopropyl vinyl ether, hexyl vinyl ether, is copolymerized conventionally with maleic anhydride, the resulting copolymer is treated with ammonia or ammonium hydroxide to form the partial amide-ammonium salt, and this salt is in turn treated with formaldehyde and thereafter or simultaneously with ammonium or alkali metal salt sulfite (including bisulfites, etc.) to form an at least partially sulfomethylated copolymer. Aqueous solutions of the sulfomethylated copolymer are useful in increasing the viscosity of drive fluids used in the supplemented recovery of petroleum from subterranean formations. In general, enhancing the polyionic character of mobility control agents used in supplemented recovery of petroleum provides enhanced recovery. Achieving this enhancement of polyionic character through use of sulfonate groups provides a mobility control agent with good ability to sustain viscosity in the presence of brine and lime, usually present in the connate waters of petroleum-bearing formations. (7 claims)

Imidazole incorporated semicarbazone derivatives as a new class of anticonvulsants: design, synthesis and in-vivo screening.

Science.gov (United States)

Amir, Mohammad; Ali, Israr; Hassan, Mohd Zaheen

2013-06-01

A series of novel imidazole incorporated semicarbazones was synthesized using an appropriate synthetic route and characterized by spectral analysis (IR, 1H NMR, 13C NMR and Mass). The anticonvulsant activity of the synthesized compounds was determined using doses of 30, 100, and 300 mg kg-1 against maximal electroshock seizure (MES), subcutaneous pentylenetetrazole (scPTZ) induced seizure and minimal neurotoxicity test. Six compounds exhibited protection in both models and 2-(1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethylidene)-N-p-tolylsemicarbazone emerged as the most active compound of the series without any neurotoxicity and significant CNS depressant effect. Liver enzyme estimations (SGOT, SGPT, Alkaline phosphatase) of the compound also showed no significant change in the enzymes levels. Moreover, it caused 80% elevation of γ-amino butyric acid (GABA) levels in the whole mice brain, thus indicating that it could be a promising candidate in designing of a potent anticonvulsant drug.

An improved synthesis process of calixcrown ethers and synthesis of novel calixcrown ether

International Nuclear Information System (INIS)

Wang Hairong; Zhang Ping; Wang Chunmiao; Wang Jianchen; Chen Jing

2007-01-01

The synthesis method of calixcrown ethers was simplified and improved, and 10 L- scale synthesis was carried out. In the synthesis of the intermediates of the first three steps, the synthesis of 5, 11, 17, 23-tetra-tert-butyl-25, 26, 27, 28-tetrahydroxyl-calix[4] and its dehydroxylation were considered together, the purification procedures of the former, including re-crystallization in toluene and decolorization with activated carbon, were cancelled, and thus these steps were simplified. In the synthesis of oligoethylene glycol ditosylate, the purification method was also improved and the time-consuming column chromatography was left out. In the final step, impurities were removed by repeating stirring-settlement steps, by following recrystallization, the pure product was obtained. With these measures, the whole process could be implemented easily. The industrial scale production of calixcrown ethers could be fulfilled with the improved process. In addition, a new extracant, 25, 27-bis (n-propyloxy)calix[4]-26, 28-crown-6, is prepared and identified. (authors)

Protection by imidazol(ine) drugs and agmatine of glutamate-induced neurotoxicity in cultured cerebellar granule cells through blockade of NMDA receptor.

Science.gov (United States)

Olmos, G; DeGregorio-Rocasolano, N; Paz Regalado, M; Gasull, T; Assumpció Boronat, M; Trullas, R; Villarroel, A; Lerma, J; García-Sevilla, J A

1999-07-01

This study was designed to assess the potential neuroprotective effect of several imidazol(ine) drugs and agmatine on glutamate-induced necrosis and on apoptosis induced by low extracellular K+ in cultured cerebellar granule cells. Exposure (30 min) of energy deprived cells to L-glutamate (1-100 microM) caused a concentration-dependent neurotoxicity, as determined 24 h later by a decrease in the ability of the cells to metabolize 3-(4,5-dimethythiazol-2-yl)-2,5-diphenyltetrazoliumbromide (MTT) into a reduced formazan product. L-glutamate-induced neurotoxicity (EC50=5 microM) was blocked by the specific NMDA receptor antagonist MK-801 (dizocilpine). Imidazol(ine) drugs and agmatine fully prevented neurotoxicity induced by 20 microM (EC100) L-glutamate with the rank order (EC50 in microM): antazoline (13)>cirazoline (44)>LSL 61122 [2-styryl-2-imidazoline] (54)>LSL 60101 [2-(2-benzofuranyl) imidazole] (75)>idazoxan (90)>LSL 60129 [2-(1,4-benzodioxan-6-yl)-4,5-dihydroimidazole](101)>RX82 1002 (2-methoxy idazoxan) (106)>agmatine (196). No neuroprotective effect of these drugs was observed in a model of apoptotic neuronal cell death (reduction of extracellular K+) which does not involve stimulation of NMDA receptors. Imidazol(ine) drugs and agmatine fully inhibited [3H]-(+)-MK-801 binding to the phencyclidine site of NMDA receptors in rat brain. The profile of drug potency protecting against L-glutamate neurotoxicity correlated well (r=0.90) with the potency of the same compounds competing against [3H]-(+)-MK-801 binding. In HEK-293 cells transfected to express the NR1-1a and NR2C subunits of the NMDA receptor, antazoline and agmatine produced a voltage- and concentration-dependent block of glutamate-induced currents. Analysis of the voltage dependence of the block was consistent with the presence of a binding site for antazoline located within the NMDA channel pore with an IC50 of 10-12 microM at 0 mV. It is concluded that imidazol(ine) drugs and agmatine are

INTERACTION OF METHYL-TERT BUTYL ETHER AND WATER STRESS ON SEED GERMINATION AND SEEDLING GROWTH IN SOIL MICROCOSMS

Science.gov (United States)

Methyl tert-butyl ether (MTBE) is a widespread contaminant in surface and ground water in the United States. Frequently irrigation is used to water fields to germinate planted seeds and sustain plant growth. A likely possibility exists that water used may have some MTBE. Our s...

Investigation of ammonium trinitratouranylate complexing with diethyl ether

International Nuclear Information System (INIS)

Khod'ko, N.N.; Kolevich, T.A.; Umrejko, D.S.

1989-01-01

Interaction of ammonium trinitratouranylate (ATNU) with diethyl ether is investigated. It is shown, that adduct of UO 2 (NO 3 ) 2 · 2(C 2 H 5 ) 2 O coposition is formed in the indicated solvent due to incongruent solubility of ANTU. Analogous compound is obtained at ether effect on uranyl anhydrous nitrate. The matter is determined and investigated by means of chemical, thermal analyses and oscillating spectroscopy

Metal ion separations with proton-ionizable Lariat Ethers and their polymers

International Nuclear Information System (INIS)

Bartsch, R.A.

1993-01-01

The preparation of novel and specific organic complexing agents may lead to the development of new separation systems for aqueous metal ions. Thus the introduction of highly lipophilic oximes led to the current utilization of these compounds as commercial extractants for the hydrometallurgy of nonferrous metals. Crown ethers (macrocyclic polyethers) have been employed in the laboratory-scale solvent extraction of alkali-metal, alkaline-earth, and other metal cations into organic phases. Attachment of side arms to crown ethers gives lariat ethers. The presence of one or more potential coordination sites in the side arm of the lariat ether may produce substantial changes in the selectivity and efficiency of metal ion complexation. It has been demonstrated that concomitant transfer of an aqueous phase anion into the organic medium is not required for metal ion extraction. This factor is of immense importance to potential practical applications of these proton-ionizable crown ethers in which the common, hard, aqueous phase anions would be involved. Another advantage of proton-ionizable lariat ethers is the ease with which extracted metal ions may be stripped from the organic phase by shaking with aqueous mineral acid. Thus both metal ion extraction and stripping are facilitated by pendent proton-ionizable groups. Most of the hazardous metal ion species in the Hanford Site tank wastes are members of the alkali-metal, alkaline-earth, lanthanide, and actinide families. These hard metal ion species prefer association with hard donor atoms, such as oxygens. Therefore, crown and lariat ethers are well-suited for complexation with such metal ion species

Green synthesis of novel quinoline based imidazole derivatives and evaluation of their antimicrobial activity

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N.C. Desai

2014-12-01

Full Text Available We have described the conventional and microwave method for the synthesis of N-(4-((2-chloroquinolin-3-ylmethylene-5-oxo-2-phenyl-4,5-dihydro-1H-imidazol-1-yl(arylamides 3a–l. It is observed that the solvent-free microwave thermolysis is a convenient, rapid, high-yielding, and environmental friendly protocol for the synthesis of quinoline based imidazole derivatives when compared with conventional reaction in a solution phase. Antimicrobial activity of the newly synthesized compounds is screened in vitro on the following microbial cultures: Escherichia coli (MTCC 443, Pseudomonas aeruginosa (MTCC 1688, Staphylococcus aureus (MTCC 96, Streptococcus pyogenes (MTCC 442, Candida albicans (MTCC 227, Aspergillus niger (MTCC 282, Aspergillus clavatus (MTCC 1323. All the synthesized bio-active molecules are tested for their in vitro antimicrobial activity by bioassay namely serial broth dilution. Among these compounds 3c, 3d, 3f, 3h and 3j show significant potency against different microbial strains. All the compounds have been characterized by IR, 1H NMR, 13C NMR and mass spectral data. On the basis of statistical analysis, it is observed that these compounds give significant co-relation.

Synthesis and DNA-binding study of imidazole linked thiazolidinone derivatives.

Science.gov (United States)

War, Javeed Ahmad; Srivastava, Santosh Kumar; Srivastava, Savitri Devi

2017-02-01

A novel series of imidazole-linked thiazolidinone hybrid molecules were designed and synthesized through a feasible synthetic protocol. The molecules were characterized with Fourier transform infrared (FT-IR), 1 H nuclear magnetic resonance (NMR), 13 C NMR and high-resolution mass spectrometry (HRMS) techniques. In vitro susceptibility tests against Gram-positive (S. aureus and B. subtilis) and Gram-negative bacteria (E. coli and P. aeruginosa) gave highly promising results. The most active molecule (3e) gave a minimal inhibitory concentration (MIC) value of 3.125 μg/mL which is on par with the reference drug streptomycin. Structure-activity relationships revealed activity enhancement by nitro and chloro groups when they occupied meta position of the arylidene ring in 2-((3-(imidazol-1-yl)propyl)amino)-5-benzylidenethiazolidin-4-ones. DNA-binding study of the most potent molecule 3e with salmon milt DNA (sm-DNA) under simulated physiological pH was probed with UV-visible absorption, fluorescence quenching, gel electrophoresis and molecular docking techniques. These studies established that compound 3e has a strong affinity towards DNA and binds at DNA minor groove with a binding constant (K b ) 0.18 × 10 2  L mol -1 . Molecular docking simulations predicted strong affinity of 3e towards DNA with a binding affinity (ΔG) -8.5 kcal/mol. Van der Waals forces, hydrogen bonding and hydrophobic interactions were predicted as the main forces of interaction. The molecule 3e exhibited specific affinity towards adenine-thiamine base pairs. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Endosomal Escape and Delivery of CRISPR/Cas9 Genome Editing Machinery Enabled by Nanoscale Zeolitic Imidazolate Framework

KAUST Repository

Alsaiari, Shahad K.

2017-12-22

CRISPR/Cas9 is a combined protein (Cas9) and an engineered single guide RNA (sgRNA) genome editing platform that offers revolutionary solutions to genetic diseases. It has, however, a double delivery problem owning to the large protein size and the highly charged RNA component. In this work, we report the first example of CRISPR/Cas9 encapsulated by nanoscale zeolitic imidazole frameworks (ZIFs) with a loading efficiency of 17% and enhanced endosomal escape promoted by the protonated imidazole moieties. The gene editing potential of CRISPR/Cas9 encapsulated by ZIF-8 (CC-ZIFs) is further verified by knocking down the gene expression of green fluorescent protein by 37% over 4 days employing CRISPR/Cas9 machinery. The nanoscale CC-ZIFs are biocompatible and easily scaled-up offering excellent loading capacity and controlled co-delivery of intact Cas9 protein and sgRNA.

Endosomal Escape and Delivery of CRISPR/Cas9 Genome Editing Machinery Enabled by Nanoscale Zeolitic Imidazolate Framework

KAUST Repository

Alsaiari, Shahad K.; Patil, Sachin; Alyami, Mram Z.; Alamoudi, Kholod; Aleisa, Fajr A; Merzaban, Jasmeen; Li, Mo; Khashab, Niveen M.

2017-01-01

CRISPR/Cas9 is a combined protein (Cas9) and an engineered single guide RNA (sgRNA) genome editing platform that offers revolutionary solutions to genetic diseases. It has, however, a double delivery problem owning to the large protein size and the highly charged RNA component. In this work, we report the first example of CRISPR/Cas9 encapsulated by nanoscale zeolitic imidazole frameworks (ZIFs) with a loading efficiency of 17% and enhanced endosomal escape promoted by the protonated imidazole moieties. The gene editing potential of CRISPR/Cas9 encapsulated by ZIF-8 (CC-ZIFs) is further verified by knocking down the gene expression of green fluorescent protein by 37% over 4 days employing CRISPR/Cas9 machinery. The nanoscale CC-ZIFs are biocompatible and easily scaled-up offering excellent loading capacity and controlled co-delivery of intact Cas9 protein and sgRNA.

Synthesis and Characterization of New Silver (I N-Heterocyclic Ccarbene Ccomplex Dderived from Imidazol-2-ylidene salt

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Mohammedl Mujbe Hasson

2018-04-01

Full Text Available A new N, N'-imidazolium salt 1-(2,6-diisopropylphenyl-3- (4,6-dimorpholino -1,3,5-traizine-2-yl-1H-imidazol-3-ium chloride as a precursor of N - heterocyclic carbene ligand was prepared via the reaction of 1 - (2, 6 - diisopropyl phenyl - 1H - imidazole with 1, 3, 5 - triazine derivative bearing morpholine substituent (2, 6 -dimorpholine - 6- chloro-1, 3, 5-triaziazine. Linear coordi-nated Ag (І NHC complex was synthesised via deprotonation of the imidazolium salt and reac-tion with Ag2O in darkness at room temperature by in situ method. The complex was synthesised for using as transfer agent to prepare another transition metals complexes by transmetallation method in the future. The imidazolium salt and their silver complex have been characterized by 1 H and 13C NMR spectroscopy as well as mass spectrometry.

Development and characterization of poli composites (ether ether ketone)(PEEK)(Hydroxyapatite(HA); Desenvolvimento e caracterizacao de compositos poli (eter-eter-cetona)(PEEK)/Hidroxiapatita(HA)

Energy Technology Data Exchange (ETDEWEB)

Ferreira, V.P.; Santos, F.S.F.; Sa, M.D. de; Fook, M.V.L., E-mail: valeriap.ferreira@hotmail.com [Universidade Federal de Campina Grande (UFCG), PB (Brazil). Centro de Ciencias e Tecnologia. Programa de Pos-Graduacao em Ciencia e Engenharia de Materiais

2016-07-01

The objective of this work was to develop PEEK / HA composites, combining the biological activity of the ceramic phase with the properties of the polymer phase, the materials used in this research were Poly (ether-ether-ketone) (PEEK) and Hydroxyapatite (HA) (50, 60, 70 and 80% m / v HA), this material was subjected to a load of two tons followed by a thermal treatment at 390 ° for a period of 30 minutes. Then they were characterized by FTIR, DRX and MO. In the physical-chemical characterization of FTIR and XRD, it was not possible to identify significant alterations. In the FTIR spectra of the composites, there is no formation of new identifiable chemical bonds. In the composites XRD diffractograms a profile similar to the ceramic phase was observed, with peaks increasing in intensity and narrowing proportional to the increase of the hydroxyapatite concentration in the composites. In optical microscopy it is possible to observe surfaces with heterogeneous morphology, with signs of roughness and in the cross section we observe a heterogeneous aspect, rich in regions with large agglomerates and lighter particles. Considering the processing aspects, the technique proved to be effective for the development of PEEK /HA composites. (author)

Spontaneous Generation of Chirality in Simple Diaryl Ethers.

Science.gov (United States)

Lennartson, Anders; Hedström, Anna; Håkansson, Mikael

2015-07-01

We studied the spontaneous formation of chiral crystals of four diaryl ethers, 3-phenoxybenzaldehyde, 1; 1,3-dimethyl-2-phenoxybenzene, 2; di(4-aminophenyl) ether, 3; and di(p-tolyl) ether, 4. Compounds 1, 3, and 4 form conformationally chiral molecules in the solid state, while the chirality of 2 arises from the formation of supramolecular helices. Compound 1 is a liquid at ambient temperature, but 2-4 are crystalline, and solid-state CD-spectroscopy showed that they could be obtained as optically active bulk samples. It should be noted that the optical activity arise upon crystallization, and no optically active precursors were used. Indeed, even commercial samples of 3 and 4 were found to be optically active, giving evidence for the ease at which total spontaneous resolution may occur in certain systems. © 2015 Wiley Periodicals, Inc.

Improved surface hydrophilicity and antifouling property of polysulfone ultrafiltration membrane with poly(ethylene glycol) methyl ether methacrylate grafted graphene oxide nanofillers

Science.gov (United States)

Wang, Haidong; Lu, Xiaofei; Lu, Xinglin; Wang, Zhenghui; Ma, Jun; Wang, Panpan

2017-12-01

In this study, the GO-g-P(PEGMA) nanoplates were first synthesized by grafting hydrophilic poly (poly (ethylene glycol) methyl ether methacrylate) via surface-initiated atom transfer radical polymerization (SI-ATRP) method. A novel polysulfone (PSF) nanocomposite membrane using GO-g-P(PEGMA) nanoplates as nanofillers was fabricated. FTIR, TGA, 1H NMR, GPC and TEM were applied to verify the successful synthesis of the prepared nanoplates, while SEM, AFM, XPS, contact angle goniometry and filtration experiments were used to characterize the fabricated nanocomposite membranes. It was found that the new prepared nanofillers were well dispersed in organic PSF matrix, and the PSF/GO-g-P(PEGMA) nanocomposite membrane showed significant improvements in water flux and flux recovery rate. Based on the results of resistance-in-series model, the nanocomposite membrane exhibited superior resistance to the irreversible fouling. The excellent filtration and antifouling performance are attributed to the segregation of GO-g-P(PEMGA) nanofillers toward the membrane surface and the pore walls. Notably, the blended nanofillers appeared a stable retention in/on nanocomposite membrane after 30 days of washing time. The demonstrated method of synthesis GO-g-P(PEGMA) in this study can also be extended to preparation of other nanocomposite membrane in future.

Novel catalytic micromotor of porous zeolitic imidazolate framework-67 for precise drug delivery.

Science.gov (United States)

Wang, Linlin; Zhu, Hongli; Shi, Ying; Ge, You; Feng, Xiaomiao; Liu, Ruiqing; Li, Yi; Ma, Yanwen; Wang, Lianhui

2018-06-07

Micromotors hold promise as drug carriers for targeted drug delivery owing to the characteristics of self-propulsion and directional navigation. However, several defects still exist, including high cost, short movement life, low drug loading and slow release rate. Herein, a novel catalytic micromotor based on porous zeolitic imidazolate framework-67 (ZIF-67) synthesized by a greatly simplified wet chemical method assisted with ultrasonication is described as an efficient anticancer drug carrier. These porous micromotors display effective autonomous motion in hydrogen peroxide and long durable movement life of up to 90 min. Moreover, the multifunctional micromotor ZIF-67/Fe3O4/DOX exhibits excellent performance in precise drug delivery under external magnetic field with high drug loading capacity of fluorescent anticancer drug DOX up to 682 μg mg-1 owing to its porous nature, high surface area and rapid drug release based on dual stimulus of catalytic reaction and solvent effects. Therefore, these porous ZIF-67-based catalytic micromotors combine the domains of metal-organic frameworks (MOFs) and micomotors, thus developing potential resources for micromotors and holding great potential as label-free and precisely controlled high-quality candidates of drug delivery systems for biomedical applications.

Poly (ether ether ketone) derivatives: Synthetic route and characterization of nitrated and sulfonated polymers

International Nuclear Information System (INIS)

Conceicao, T.F.; Bertolino, J.R.; Barra, G.M.O.; Pires, A.T.N.

2009-01-01

Nitrated and sulfonated poly (ether ether ketone) [SNPEEK] samples were prepared through sulfonation of nitrated PEEK (NPEEK) at different temperatures resulting in polymers with distinct sulfonation degrees (SD). The sulfonation occurred preferentially in the hydroquinone segment even after 81% of this moiety had been nitrated. Sulfonation in the benzophenone moiety was achieved only in 16% of this segment at the reaction temperature of 80 deg. C. The substitution degree was obtained through the TG curves, and values were in agreement with 1 H NMR data when SD is much higher as ND (nitration degree). The highest SD obtained was 72%. Membranes of the sulfonated and nitrated PEEK (SNPEEK) were prepared by casting and showed good ductility depending on the substitution degree, with proton conductivity in the order of 10 -2 S cm -1 , an important characteristic in some applications, such as in fuel cells

Poly (ether ether ketone) derivatives: Synthetic route and characterization of nitrated and sulfonated polymers

Energy Technology Data Exchange (ETDEWEB)

Conceicao, T.F.; Bertolino, J.R. [Grupo de Estudo em Materiais Polimericos-Departamento de Quimica, Universidade Federal de Santa Catarina, Florianopolis, SC (Brazil); Barra, G.M.O. [Departamento de Engenharia Mecanica, Universidade Federal de Santa Catarina, Florianopolis, SC (Brazil); Pires, A.T.N. [Grupo de Estudo em Materiais Polimericos-Departamento de Quimica, Universidade Federal de Santa Catarina, Florianopolis, SC (Brazil)], E-mail: alfredotiburcio@pq.cnpq.br

2009-03-01

Nitrated and sulfonated poly (ether ether ketone) [SNPEEK] samples were prepared through sulfonation of nitrated PEEK (NPEEK) at different temperatures resulting in polymers with distinct sulfonation degrees (SD). The sulfonation occurred preferentially in the hydroquinone segment even after 81% of this moiety had been nitrated. Sulfonation in the benzophenone moiety was achieved only in 16% of this segment at the reaction temperature of 80 deg. C. The substitution degree was obtained through the TG curves, and values were in agreement with {sup 1}H NMR data when SD is much higher as ND (nitration degree). The highest SD obtained was 72%. Membranes of the sulfonated and nitrated PEEK (SNPEEK) were prepared by casting and showed good ductility depending on the substitution degree, with proton conductivity in the order of 10{sup -2} S cm{sup -1}, an important characteristic in some applications, such as in fuel cells.

Absorption of decabromodiphenyl ether and other organohalogen chemicals by grey seals (Halichoerus grypus)

International Nuclear Information System (INIS)

Thomas, Gareth O.; Moss, Simon E.W.; Asplund, Lillemor; Hall, Ailsa J.

2005-01-01

An input-output balance study was performed for polybrominated diphenyl ethers, polychlorinated biphenyls and some organochlorine pesticides on three captive, juvenile grey seals (Halichoerus grypus). The animals were fed a diet of herring for six months, during the last three months of which this study was performed. A supplement of decabromodiphenyl ether was included in the diet during the second month of the study. Consistently high absorption (>89%) was observed for all of the chemicals studied, whereas work on other animals has generally shown high (>80%) net absorption at log K OW OW , and very low absorption of decabromodiphenyl ether. The half-life of decabromodiphenyl ether in blood was estimated to be between 8.5 and 13 days. Measurable concentrations of decabromodiphenyl ether were detected in seal blubber at the end of the study, indicating that this chemical can be stored in adipose and may bioaccumulate. Current understanding of the mechanism of absorption of organohalogen chemicals and the potential for accumulation of decabromodiphenyl ether will need reassessing in the light of these results. - Decabromodiphenyl ether is absorbed effectively from the diet by grey seals, and can be stored in the blubber even after exposure ceases

Process for producing high purity isoolefins and dimers thereof by dissociation of ethers

Science.gov (United States)

Smith, L.A. Jr.; Jones, E.M. Jr.; Hearn, D.

1984-05-08

Alkyl tertiary butyl ether or alkyl tertiary amyl ether is dissociated by vapor phase contact with a cation acidic exchange resin at temperatures in the range of 150 to 250 F at LHSV of 0.1 to 20 to produce a stream consisting of unreacted ether, isobutene or isoamylene and an alcohol corresponding to the alkyl radical. After the alcohol is removed, the ether/isoolefin stream may be fractionated to obtain a high purity isoolefin (99+%) or the ether/isoolefin stream can be contacted in liquid phase with a cation acidic exchange resin to selectively dimerize the isoolefin in a highly exothermic reaction, followed by fractionation of the dimerization product to produce high purity diisoolefin (97+%). In the case where the alkyl is C[sub 3] to C[sub 6] and the corresponding alcohol is produced on dissociation of the ether, combined dissociation-distillation may be carried out such that isoolefin is the overhead product and alcohol the bottom. 2 figs.

Effect of petroleum ether and ethanol fractions of seeds of Abrus precatorius on androgenic alopecia

Directory of Open Access Journals (Sweden)

Sukirti Upadhyay

2012-04-01

Full Text Available Seeds of Abrus precatorius L., Fabaceae, are commonly used as purgative, emetic, aphrodisiac and in nervous disorder in traditional and folk medicines. In present study petroleum ether and ethanolic extracts of A. precatorius seeds are evaluated for reversal of androgen (testosterone by i.m route induced alopecia in male albino wistar rats and compared to topical administration of standard antiandrogenic drug finasteride for 21 days. The results were reflected from visual observation and histological study of several skin sections via various parameters as anagen to telogen ratio and follicle density/mm area of skin surface. The animal of group 1 who were treated with only testosterone became alopecic on visual observation. Animals of Group 2, 3 and 4 who were treated with finasteride, petroleum ether and ethanolic extract of seed respectively topically along with testosterone (i.m did not developed alopecia. To investigate the mechanism of observed activity, in vitro experiments were performed. Inhibition of 5α-reductase activity by extracts and finasteride suggest that they reversed androgen induced alopecia by inhibiting conversion of testosterone to dihydrotestosterone (potent androgen responsible for androgenic alopecia. So it may be concluded that petroleum ether and ethanolic extract of A. precatorius seed posses anti androgenic alopecia activity due to inhibition of 5α-reductase enzyme.

Effect of petroleum ether and ethanol fractions of seeds of Abrus precatorius on androgenic alopecia

Directory of Open Access Journals (Sweden)

Sukirti Upadhyay

2011-12-01

Full Text Available Seeds of Abrus precatorius L., Fabaceae, are commonly used as purgative, emetic, aphrodisiac and in nervous disorder in traditional and folk medicines. In present study petroleum ether and ethanolic extracts of A. precatorius seeds are evaluated for reversal of androgen (testosterone by i.m route induced alopecia in male albino wistar rats and compared to topical administration of standard antiandrogenic drug finasteride for 21 days. The results were reflected from visual observation and histological study of several skin sections via various parameters as anagen to telogen ratio and follicle density/mm area of skin surface. The animal of group 1 who were treated with only testosterone became alopecic on visual observation. Animals of Group 2, 3 and 4 who were treated with finasteride, petroleum ether and ethanolic extract of seed respectively topically along with testosterone (i.m did not developed alopecia. To investigate the mechanism of observed activity, in vitro experiments were performed. Inhibition of 5α-reductase activity by extracts and finasteride suggest that they reversed androgen induced alopecia by inhibiting conversion of testosterone to dihydrotestosterone (potent androgen responsible for androgenic alopecia. So it may be concluded that petroleum ether and ethanolic extract of A. precatorius seed posses anti androgenic alopecia activity due to inhibition of 5α-reductase enzyme.

Nikola Tesla, the Ether and his Telautomaton

Science.gov (United States)

Milar, Kendall

2014-03-01

In the nineteenth century physicists' understanding of the ether changed dramatically. New developments in thermodynamics, energy physics, and electricity and magnetism dictated new properties of the ether. These have traditionally been examined from the perspective of the scientists re-conceptualizing the ether. However Nikola Tesla, a prolific inventor and writer, presents a different picture of nineteenth century physics. Alongside the displays that showcased his inventions he presented alternative interpretations of physical, physiological and even psychical research. This is particularly evident in his telautomaton, a radio remote controlled boat. This invention and Tesla's descriptions of it showcase some of his novel interpretations of physical theories. He offered a perspective on nineteenth century physics that focused on practical application instead of experiment. Sometimes the understanding of physical theories that Tesla reached was counterproductive to his own inventive work; other times he offered new insights. Tesla's utilitarian interpretation of physical theories suggests a more scientifically curious and invested inventor than previously described and a connection between the scientific and inventive communities.

DFT study on the standard electrode potentials of imidazole, tetrathiafulvalene, and tetrathiafulvalene-imidazole.

Science.gov (United States)

Tugsuz, Tugba

2010-12-30

Extensive DFT calculations on the standard electrode potentials of imidazole (Im), tetrathiafulvalene (TTF), and 2-, 4-, and 5-TTF-Im were carried out. Geometries and Gibbs free energies of H-bonded dimer, anion, protonated cation, and neutral structures of Im, mono- and dication, and neutral structures of TTF in gas and acetonitrile solvent were computed by using 10 hybrid density functionals (B3LYP, TPSSH, PBEH1PBE, M06, M062X, X3LYP, BMK, B1B95, M05, M052X) combined with the TZVP basis set. CPCM and SMD solvation models were applied to predict the Gibbs free energies of molecules in acetonitrile solvent. Frequency calculations were carried out for all structures, and none of them has been found to exhibit any imaginary frequency. Finally, the BMK hybrid functional was selected for computation of the standard electrode potential of TTF-Im, because it gives the most accurate values in both Im and TTF, differing by 0.05 V from the experimental ones. Moreover, frequencies from the BMK functional are reasonably close to the experimental ones. The standard electrode potentials of 2-, 4-, and 5-TTF-Im predicted for two-electron oxidation are 0.946, 0.870, and 0.839 V in CPCM and 0.927, 0.866, and 0.824 V in SMD. For one-electron oxidation these are 0.491, 0.421, and 0.400 V in CPCM and 0.476, 0.377, and 0.360 V in SMD, respectively.

Effect of ethylene glycol monomethyl ether and diethylene glycol monomethyl ether on hepatic metabolizing enzymes.

Science.gov (United States)

Kawamoto, T; Matsuno, K; Kayama, F; Hirai, M; Arashidani, K; Yoshikawa, M; Kodama, Y

1990-06-01

Glycol ethers have been extensively used in industry over the past 40-50 years. Numerous studies on the toxicity of glycol ethers have been performed, however, the effects of glycol ethers on the hepatic drug metabolizing enzymes are still unknown. We studied the changes of the putative metabolic enzymes, that is, the hepatic microsomal mixed function oxidase system and cytosolic alcohol dehydrogenase, by the oral administration of diEGME and EGME. Adult male Wistar rats were used. DiEGME was administered orally; 500, 1000, 2000 mg/kg for 1, 2, 5 or 20 days and EGME was 100, 300 mg/kg for 1, 2, 5 or 20 days. Decreases in liver weights were produced by highest doses of diEGME (2000 mg/kg body wt/day for 20 days) and EGME (300 mg/kg body wt/day for 20 days). DiEGME increased hepatic microsomal protein contents and induced cytochrome P-450, but not cytochrome b5 or NADPH-cytochrome c reductase. The activity of cytosolic ADH was not affected by diEGME administration. On the other hand, EGME did not change cytochrome P-450, cytochrome b5 or NADPH-cytochrome c reductase. The activity of cytosolic ADH was increased by repeated EGME treatment. Therefore it is suspected that the enzyme which takes part in the metabolism of diEGME is different from that of EGME, although diEGME is a structural homologue of EGME.

Adsorptive removal of 1-naphthol from water with Zeolitic imidazolate framework-67

Science.gov (United States)

Yan, Xinlong; Hu, Xiaoyan; Chen, Tao; Zhang, Shiyu; Zhou, Min

2017-08-01

1-Naphthol is widely used as an intermediate in the plastics, dyes, fibers and rubbers production areas, leading to the increasing detection of 1-naphthol in the soil and water environment, which is of particular concern due to its acute toxicity and negative environmental impacts. Considering the high surface area and good stability of ZIFs (zeolitic imidazole frameworks) material, ZIF-67 (a representative cobalt-based ZIFs material) was synthesized and applied as an adsorbent for removal of 1-naphthol from aqueous solution. The obtained ZIF-67 was characterized by XRD, TEM, XPS, N2 physisorption and TG, and the adsorption isotherm, kinetics, and regeneration of the adsorbent were studied in detail. The adsorption of 1-naphthol on ZIF-67 followed a pseudo-second-order equation kinetics and fitted Langmuir adsorption model with a maximum adsorption capacity of 339 mg/g at 313 K, which is much higher than that of the common adsorbents reported such as activated carbon and carbon nanotubes et al. The solution pH was found to be an important factor influencing the adsorption process, which could be explained by the predominant mechanism controlling the process, i.e. electrostatic attraction. In addition, the ZIF-67 showed desirable reusability toward 1-naphthol removal from alkaline aqueous solution.

Novel Zeolitic Imidazolate Framework/Polymer Membranes for Hydrogen Separations in Coal Processing

Energy Technology Data Exchange (ETDEWEB)

Musselman, Inga H.

2013-01-31

Nanoparticles of zeolitic imidazolate frameworks and other related hybrid materials were prepared by modifying published synthesis procedures by introducing bases, changing stoichiometric ratios, or adjusting reaction conditions. These materials were stable at temperatures >300 °C and were compatible with the polymer matrices used to prepare mixed-matrix membranes (MMMs). MMMs tested at 300 °C exhibited a >30 fold increase in permeability, compared to those measured at 35 °C, while maintaining H{sub 2}/CO{sub 2} selectivity. Measurements at high pressure (up to 30 atm) and high temperature (up to 300 °C) resulted in an increase in gas flux across the membrane with retention of selectivity. No variations in permeability were observed at high pressures at either 35 or 300 °C. CO{sub 2}-induced plasticization was not observed for Matrimid®, VTEC, and PBI polymers or their MMMs at 30 atm and 300 °C. Membrane surface modification by cross-linking with ethylenediamine resulted in an increase in H{sub 2}/CO{sub 2} selectivity at 35 °C. Spectrometric analysis showed that the cross-linking was effective to temperatures <150 °C. At higher temperatures, the cross-linked membranes exhibit a H2/CO2 selectivity similar to the uncrosslinked polymer.

The preparation and intramolecular radical cyclisation reactions of chiral oxyme ethers

International Nuclear Information System (INIS)

Booth, Susan E.; Jenkins, Paul R.

1998-01-01

Chiral oxime ether 2 and Oxime ester 4 have been prepared by alkylation and esterification of the oxime 1. Racemic hydroxylamine 6 and chiral hydroxylamine 10 have been synthesised from N-hydroxysuccinimide and the corresponding alcohol in the presence of diethyl azo dicarboxylate, the two product were converted into the oxime ethers 7 and 11 respectively. The intramolecular radical cyclisation reactions of these oxime ethers and esters has been studied, successful reaction was observed to produce alkyl hydroxylamines 3,8 and 12. (author)

The Preparation and Intramolecular Radical Cyclisation Reactions of Chiral Oxime Ethers

Directory of Open Access Journals (Sweden)

Booth Susan E.

1998-01-01

Full Text Available Chiral oxime ether 2 and Oxime ester 4 have been prepared by alkylation and esterification of the oxime 1. Racemic hydroxylamine 6 and chiral hydroxylamine 10 have been synthesised from N-hydroxysuccinimide and the corresponding alcohol in the presence of diethylazodicarboxylate, the two products were converted into the oxime ethers 7 and 11 respectively. The intramolecular radical cyclisation reactions of these oxime ethers and esters has been studied, successful reaction was observed to produce alkyl hydroxylamines 3, 8 and 12.

Enzymatic network for production of ether amines from alcohols

DEFF Research Database (Denmark)

Palacio, Cyntia M.; Crismaru, Ciprian G.; Bartsch, Sebastian

2016-01-01

We constructed an enzymatic network composed of three different enzymes for the synthesis of valuable ether amines. The enzymatic reactions are interconnected to catalyze the oxidation and subsequent transamination of the substrate and to provide cofactor recycling. This allows production...... of the desired ether amines from the corresponding ether alcohols with inorganic ammonium as the only additional substrate. To examine conversion, individual and overall reaction equilibria were established. Using these data, it was found that the experimentally observed conversions of up to 60% observed...... for reactions containing 10mM alcohol and up to 280mM ammonia corresponded well to predicted conversions. The results indicate that efficient amination can be driven by high concentrations of ammonia and may require improving enzyme robustness for scale-up....

Basic randomness of nature and ether-drift experiments

International Nuclear Information System (INIS)

Consoli, M.; Pluchino, A.; Rapisarda, A.

2011-01-01

Highlights: ► We re-consider the idea of a basic randomness of nature. ► We adopt Stochastic Electro Dynamics as a heuristic model. ► We represent the vacuum as a form of turbulent ether. ► This picture can be tested with forthcoming ether-drift experiments. - Abstract: We re-consider the idea that quantum fluctuations might reflect the existence of an ‘objective randomness’, i.e. a basic property of the vacuum state which is independent of any experimental accuracy of the observations or limited knowledge of initial conditions. Besides being responsible for the observed quantum behavior, this might introduce a weak, residual form of ‘noise’ which is intrinsic to natural phenomena and could be important for the emergence of complexity at higher physical levels. By adopting Stochastic Electro Dynamics as a heuristic model, we are driven to a picture of the vacuum as a form of highly turbulent ether, which is deep-rooted into the basic foundational aspects of both quantum physics and relativity, and to search for experimental tests of this scenario. An analysis of the most precise ether-drift experiments, operating both at room temperature and in the cryogenic regime, shows that, at present, there is some ambiguity in the interpretation of the data. In fact the average amplitude of the signal has precisely the magnitude expected, in a ‘Lorentzian’ form of relativity, from an underlying stochastic ether and, as such, might not be a spurious instrumental effect. This puzzle, however, should be solved in a next future with the use of new cryogenically cooled optical resonators whose stability should improve by about two orders of magnitude. In these new experimental conditions, the persistence of the present amplitude would represent a clean evidence for the type of random vacuum we are envisaging.

Polyacrylonitrile nanofibers with added zeolitic imidazolate frameworks (ZIF-7) to enhance mechanical and thermal stability

Energy Technology Data Exchange (ETDEWEB)

Lee, Min Wook [Department of Mechanical and Industrial Engineering, University of Illinois at Chicago, 842 W. Taylor St., Chicago, Illinois 60607-7022 (United States); An, Seongpil; Song, Kyo Yong; Joshi, Bhavana N.; Jo, Hong Seok; Yoon, Sam S., E-mail: skyoon@korea.ac.kr, E-mail: ayarin@uic.edu [School of Mechanical Engineering, Korea University, Seoul 136-713 (Korea, Republic of); Al-Deyab, Salem S. [Department of Chemistry, King Saud University, Riyadh 11451 (Saudi Arabia); Yarin, Alexander L., E-mail: skyoon@korea.ac.kr, E-mail: ayarin@uic.edu [Department of Mechanical and Industrial Engineering, University of Illinois at Chicago, 842 W. Taylor St., Chicago, Illinois 60607-7022 (United States); School of Mechanical Engineering, Korea University, Seoul 136-713 (Korea, Republic of)

2015-12-28

Zeolitic imidazolate framework 7/polyacrylonitrile (ZIF-7/PAN) nanofiber mat of high porosity and surface area can be used as a flexible fibrous filtration membrane that is subjected to various modes of mechanical loading resulting in stresses and strains. Therefore, the stress-strain relation of ZIF-7/PAN nanofiber mats in the elastic and plastic regimes of deformation is of significant importance for numerous practical applications, including hydrogen storage, carbon dioxide capture, and molecular sensing. Here, we demonstrated the fabrication of ZIF-7/PAN nanofiber mats via electrospinning and report their mechanical properties measured in tensile tests covering the elastic and plastic domains. The effect of the mat fabrication temperature on the mechanical properties is elucidated. We showed the superior mechanical strength and thermal stability of the compound ZIF-7/PAN nanofiber mats in comparison with that of pure PAN nanofiber mats. Material characterization including scanning electron microscope, energy-dispersive X-ray spectroscopy, tensile tests, differential scanning calorimetry, and Fourier transform infrared spectroscopy revealed the enhanced chemical bonds of the ZIF-7/PAN complex.

Gold-catalyzed alkylation of silyl enol ethers with ortho-alkynylbenzoic acid esters

Directory of Open Access Journals (Sweden)

Yoshinori Yamamoto

2011-05-01

Full Text Available Unprecedented alkylation of silyl enol ethers has been developed by the use of ortho-alkynylbenzoic acid alkyl esters as alkylating agents in the presence of a gold catalyst. The reaction probably proceeds through the gold-induced in situ construction of leaving groups and subsequent nucleophilic attack on the silyl enol ethers. The generated leaving compound abstracts a proton to regenerate the silyl enol ether structure.

Gas-Phase Thermal Tautomerization of Imidazole-Acetic Acid: Theoretical and Computational Investigations

Directory of Open Access Journals (Sweden)

Saadullah G. Aziz

2015-11-01

Full Text Available The gas-phase thermal tautomerization reaction between imidazole-4-acetic (I and imidazole-5-acetic (II acids was monitored using the traditional hybrid functional (B3LYP and the long-range corrected functionals (CAM-B3LYP and ωB97XD with 6-311++G** and aug-cc-pvdz basis sets. The roles of the long-range and dispersion corrections on their geometrical parameters, thermodynamic functions, kinetics, dipole moments, Highest Occupied Molecular Orbital–Lowest Unoccupied Molecular Orbital (HOMO–LUMO energy gaps and total hyperpolarizability were investigated. All tested levels of theory predicted the preference of I over II by 0.750–0.877 kcal/mol. The origin of predilection of I is assigned to the H-bonding interaction (nN8→σ*O14–H15. This interaction stabilized I by 15.07 kcal/mol. The gas-phase interconversion between the two tautomers assumed a 1,2-proton shift mechanism, with two transition states (TS, TS1 and TS2, having energy barriers of 47.67–49.92 and 49.55–52.69 kcal/mol, respectively, and an sp3-type intermediate. A water-assisted 1,3-proton shift route brought the barrier height down to less than 20 kcal/mol in gas-phase and less than 12 kcal/mol in solution. The relatively high values of total hyperpolarizability of I compared to II were interpreted and discussed.

Directly oxidized chemiluminescence of 2-substituted-4,5-di(2-furyl)-1H -imidazole by acidic potassium permanganate and its analytical application for determination of albumin.

Science.gov (United States)

Kang, Jing; Zhang, Yumin; Huang, Zhongxiu; Han, Lu; Tang, Jieli; Wang, Shuaijun; Zhang, Yihua

2011-07-01

In the paper, 2,4,5-tri(2-furyl)-1H-imidazole (TFI) and 2-phenyl-4,5-di(2-furyl)-1H-imidazole (PDFI), were chosen to investigate chemiluminescence (CL) properties of 2-substituted-4,5-di(2-furyl)-1H-imidazoles. The directly oxidized CL of analytes by potassium permanganate (KMnO(4)) was in detail studied. The KMnO(4) could directly oxidize TFI/PDFI to produce strong CL emission in acidic solution. The effects of experimental conditions were investigated. Under the optimal conditions, the effect of albumin on the TFI/PDFI-KMnO(4) system was investigated. It was found that the addition of albumin into the system could induce enhancement of CL signal, and the enhanced CL intensity is linearly related to the logarithm of concentration of albumin. Based on this study, a novel CL method has been developed for the determination of albumin with high sensitivity and good selectivity. The method was applied to the determination of albumin in human serum samples, and the results were in agreement with those obtained by the bromcresol green (BCG) method. The relative errors for the analytical results were from -5.8% to 4.2%. These new phenomena would further enable people to exploit more CL analytical application of the heterocyclic imidazole derivatives. © Springer Science+Business Media, LLC 2011

Structuring of poly ether ether ketone by ArF excimer laser radiation in different atmospheres

International Nuclear Information System (INIS)

Feng, Y.; Gottmann, J.; Kreutz, E.W.

2003-01-01

Structuring of poly ether ether ketone (PEEK) by 193 nm ArF excimer laser radiation has been investigated. Experiments were carried out in different atmospheres (air, vacuum, Ar, O 2 ) in order to study its influence on the quality of the structures and the formation of the debris. Repetition rate makes little effect on the ablation rate and roughness of the structure in presence of any kind of atmosphere, indicating for the structuring of PEEK by ArF laser radiation a large window of processing. The roughness at the bottom of the structures and the morphology of the side walls are strongly affected by the properties of the atmosphere. The smallest roughness is achieved at 0.6 J/cm 2 for all kinds of processing gases. Debris around the structures can be diminished by structuring in vacuum. Plasma expansion speed has been measured by using high speed photography

Imidazole and beta-carotene photoprotection against photodynamic therapy evaluated by synchrotron infrared microscopy

Science.gov (United States)

Bosio, Gabriela N.; Parisi, Julieta; García Einschlag, Fernando S.; Mártire, Daniel O.

2018-04-01

In order to better understand the role of β-carotene and imidazole on the Photodynamic Therapy (PDT) mechanism, synchrotron infrared microscopy was used to detect the associated intracellular biochemical modifications following the visible light irradiation of HeLa cells incubated with these compounds as typical hydrophobic and hydrophilic singlet oxygen quenchers, respectively. For this purpose, PDT was performed employing the hydrophilic sensitizer 5,10,15,20-Tetrakis (1-methyl-4-pyridinio) porphyrin tetra (p-toluenesulfonate), TMPyP, and the hydrophobic sensitizer 5-(4-Methoxycarboxyphenyl)-10,15,20-triphenyl-21H,23H-porphyrin. The single cell IR spectra of PDT-treated, PDT plus quencher-treated and control HeLa cells were recorded at the SOLEIL Synchrotron Infrared SMIS beamline targeting specifically the cell nucleus. Principal Component Analysis (PCA) was used to assess the IR spectral changes. PCA revealed that there is a frequency shift of the protein Amide I vibrational band for the assays with the TMPyP sensitizer, indicating changes in the protein secondary structures of the PDT-treated cancer cells compared to the controls. In addition, the scores in those cells treated with both quenchers appear to be similar to the controls indicating a photoprotective effect. Comparative experiments carried out with SKMEL-28 and HaCat cells showed non- significant photoprotective effects of β-carotene and imidazole.

The influence of water mixtures on the dermal absorption of glycol ethers

International Nuclear Information System (INIS)

Traynor, Matthew J.; Wilkinson, Simon C.; Williams, Faith M.

2007-01-01

Glycol ethers are solvents widely used alone and as mixtures in industrial and household products. Some glycol ethers have been shown to have a range of toxic effects in humans following absorption and metabolism to their aldehyde and acid metabolites. This study assessed the influence of water mixtures on the dermal absorption of butoxyethanol and ethoxyethanol in vitro through human skin. Butoxyethanol penetrated human skin up to sixfold more rapidly from aqueous solution (50%, 450 mg/ml) than from the neat solvent. Similarly penetration of ethoxyethanol was increased threefold in the presence of water (50%, 697 mg/ml). There was a corresponding increase in apparent permeability coefficient as the glycol ether concentration in water decreased. The maximum penetration rate of water also increased in the presence of both glycol ethers. Absorption through a synthetic membrane obeyed Fick's Law and absorption through rat skin showed a similar profile to human skin but with a lesser effect. The mechanisms for this phenomenon involves disruption of the stratum corneum lipid bilayer by desiccation by neat glycol ether micelles, hydration with water mixtures and the physicochemical properties of the glycol ether-water mixtures. Full elucidation of the profile of absorption of glycol ethers from mixtures is required for risk assessment of dermal exposure. This work supports the view that risk assessments for dermal contact scenarios should ideally be based on absorption data obtained for the relevant formulation or mixture and exposure scenario and that absorption derived from permeability coefficients may be inappropriate for water-miscible solvents

A mild and efficient procedure for the synthesis of ethers from various alkyl halides

Directory of Open Access Journals (Sweden)

Mosstafa Kazemi

2013-10-01

Full Text Available A simple, mild and practical procedure has been developed for the synthesis of symmetrical and unsymmetrical ethers by using DMSO, TBAI in the presence of K2CO3. We extended the utility of Potassium carbonate as an efficient base for the preparation of ethers. A wide range of alkyl aryl and dialkyl ethers are synthezied from treatment of aliphatic alcohols and phenols with various alkyl halides in the prescence of efficient base Potassium carbonate. Secondary alkyl halides were easily converted to corresponding ethers in releatively good yields . This is a mild, simple and practical procedure for the preparation of ethers in high yields and suitable times under mild condition.

Effect of phenols and carboxylic acids on photochromism of 1-alkyl-2-(arylazo)imidazoles

International Nuclear Information System (INIS)

Gayen, Pallab; Sinha, Chittaranjan

2012-01-01

Light irradiated trans-to-cis isomerization of 1-alkyl-2-(arylazo)imidazole in the presence of phenol, catechol, benzoic acid and salicylic acid (called co-factors) has been studied in this work. The rate of trans→cis photoisomerization is decreased in the presence of co-factor in the medium and is dependent on the concentration of active quotient about photochrome. The decrease in rate follows catechol>benzoic acid>phenol>salicylic acid. This trend is due to the effects of dissociation ability of –O–H/–COOH, intermolecular association of the molecules etc. The reverse change, cis-to-trans, is very slow in light irradiation and has been carried out by a thermal process in the dark. The quantum yield of isomerization follows the same sequence of effects of co-factors. - Highlights: ► Photoisomerisation of 1-alkyl-2-(arylazo)imidazoles, trans-to-cis, is described in this work. ► The process is sensitive to the environment of the photochrome and the solution. ► The rate of photoisomerization decreases as catechol>benzoic acid>phenol>salicylic acid. ► The reverse isomerization, cis-to-trans is very slow with light and has been carried out with heat. ► The activation energy is less than these values when carried out in fresh solution only.

Induced production of halogenated diphenyl ethers from the marine-derived fungus Penicillium chrysogenum.

Science.gov (United States)

Yang, Guohua; Yun, Keumja; Nenkep, Viviane N; Choi, Hong Dae; Kang, Jung Sook; Son, Byeng Wha

2010-11-01

Manipulation of the fermentation of the marine-derived fungus Penicillium chrysogenum by addition of CaBr(2) resulted in induced production of bromodiphenyl ether analogs. Two new free-radical-scavenging polybrominated diphenyl ethers, 1 and 2, and three known diphenyl ethers, 3,3'-dihydroxy-5,5'-dimethyldiphenyl ether (3), and an inseparable mixture of violacerol-I (4) and violacerol-II (5) were isolated. The structures of the two new polybromodiphenyl ethers 1 and 2 were assigned by combined spectroscopic-data analysis, including deuterium-induced isotope effect. Compounds 1-3, and a mixture of 4 and 5 exhibited radical-scavenging activities against 1,1-diphenyl-2-picrylhydrazyl with IC(50) values of 18, 15, 42, and 6 μM, respectively. With the exception of 3, the compounds were, therefore, more active than the positive control, ascorbic acid (IC(50) 20 μM).

Acidolysis small molecular phenolic ether used as accelerator in photosensitive diazonaphthaquinone systems

Science.gov (United States)

Zhou, Haihua; Zou, Yingquan

2006-03-01

The photosensitive compounds in the photosensitive coatings of positive PS plates are the diazonaphthaquinone derivatives. Some acidolysis small molecular phenolic ethers, which were synthesized by some special polyhydroxyl phenols with vinyl ethyl ether, are added in the positive diazonaphthaquinone photosensitive composition to improve its sensitivity, composed with photo-acid-generators. The effects to the photosensitivity, anti-alkali property, anti-isopropyl alcohol property, dot resolution and line resolution of the coatings are studied with different additive percent of the special phenolic ethers. In the conventional photosensitive diazonaphthaquinone systems for positive PS plates, the photosensitivity is improved without negative effects to resolution, anti-alkali and anti-isopropyl alcohol properties when added about 5% of the special acidolysis phenolic ethers, EAAE or DPHE, composed with photo-acid-generators.

The simple ethers of glycerin

International Nuclear Information System (INIS)

Kimsanov, B.Kh.; Karimov, M.B.

1998-01-01

From glycerin derivatives the considerable interest is present simple ethers because many of them are biological active and found wide practical using as an effect drugs, inters for thin organic synthesis, vehicle for injections, regulators of plants growth, reagents, components for perfumery-cosmetic goods and etc

The PROMETHEE multiple criteria decision making analysis for selecting the best membrane prepared from sulfonated poly(ether ketone)s and poly(ether sulfone)s for proton exchange membrane fuel cell

International Nuclear Information System (INIS)

Nikouei, Mohammad Ali; Oroujzadeh, Maryam; Mehdipour-Ataei, Shahram

2017-01-01

Proton exchange membrane as the heart of fuel cell has been the topic of many research activities in recent years. Finding a suitable alternative for Nafion membranes is one of the most important issues of interest. This study is dedicated to sulfonated poly(ether ketone) and poly(ether sulfone) membranes. For synthesis of these two groups of polymers, two different isomeric biphenols (meta- and para-) were used and each group of membranes with three different degree of sulfonation (25, 35, and 45%) was synthesized. In this way, twelve different membrane samples were obtained and their properties were evaluated. Since each membrane had some strong and some weak points of properties in comparison to the other ones, using a rational analysis for choosing the best membrane between prepared samples was inevitable. For this purpose a PROMETHEE based multiple criteria decision making approach was applied and for evaluation of the weight of each criterion, Shannon entropy method was used. Final results showed that poly(ether ketone) membranes in selected criteria were better than poly(ether sulfone) membranes and as expected, membranes with the highest degree of sulfonation (45%) were placed at the top ranking levels. - Highlights: • Sulfonated poly(ether ketone)s and Poly(ether sulfone)s were synthesized. • Related membranes for PEMFC were prepared. • The properties of membranes were measured. • Multiple criteria decision making approach was used to ranking the membranes. • PROMETHEE based approach selected poly(ether ketone)s as better choices.

Preparation of poly(ether ether ketone)-based polymer electrolytes for fuel cell membranes using grafting technique

International Nuclear Information System (INIS)

Hasegawa, Shin; Suzuki, Yasuyuki; Maekawa, Yasunari

2008-01-01

Poly(ether ether ketone) (PEEK)-based polymer electrolyte membranes (PEMs) was successfully prepared by radiation grafting of a styrene monomer into PEEK films and the consequent selective sulfonation of the grafting chains in the film state. Using milder sulfonation, the sulfonation reactions proceeded at the grafted chains in preference to the phenylene rings of PEEK main chains; as a result, the grafted films could successfully transform to a PEM with conductivity of more than 0.1 S/cm. The ion exchange capacity (IEC) and conductivity of the grafted PEEK electrolyte membranes were controlled to the ranges of 1.2-2.9 mmol/g and 0.03-0.18 S/cm by changing the grafting degree. It should be noted that this is the first example of directly transforming super-engineering plastic films into a PEM using radiation grafting

Sulfonated Poly(Ether Ether Ketone)/Functionalized Carbon Nanotube Composite Membrane for Vanadium Redox Flow Battery Applications

International Nuclear Information System (INIS)

Jia, Chuankun; Cheng, Yuanhang; Ling, Xiao; Wei, Guanjie; Liu, Jianguo; Yan, Chuanwei

2015-01-01

A novel sulfonated poly(ether ether ketone) (SPEEK) membrane embedded with the short-carboxylic multi-walled carbon nanotube (we name it as SPEEK/SCCT membrane) for vanadium redox flow battery (VRB) has been prepared with low capacity loss, low cost and high energy efficiency. The mechanical strength, vanadium ions permeability and performance of the membrane in the VRB single cell were characterized. Results showed that the SPEEK/SCCT membrane possessed low permeability of vanadium ions, accompanied by higher mechanical strength than the Nafion 212 membrane. The VRB single cell with SPEEK/SCCT membrane showed 7% higher coulombic efficiency (CE), 6% higher energy efficiency (EE) but lower capacity loss in comparison with the one with Nafion 212. The good cell performance, low capacity loss and high vanadium ions barrier properties of the blend membrane is of significant interest for VRB applications

Hydrophilization of poly(ether ether ketone) films by surface-initiated atom transfer radical polymerization

DEFF Research Database (Denmark)

Fristrup, Charlotte Juel; Jankova Atanasova, Katja; Hvilsted, Søren

2010-01-01

Surface-Initiated Atom Transfer Radical Polymerization (SI-ATRP) has been exploited to hydrophilize PEEK. The ketone groups on the PEEK surface were reduced to hydroxyl groups which were converted to bromoisobutyrate initiating sites for SI-ATRP. The modification steps were followed by contact...... angle measurements and XPS. Moreover, ATR FTIR has been used to confirm the formation of initiating groups. Grafting of PEGMA from PEEK was performed in aqueous solution. The presence of the PPEGMA grafts on PEEK was revealed by the thermograms from TGA whereas investigations with AFM rejected changes...

Influence of structure of crown ethers on their radiation stability

International Nuclear Information System (INIS)

Grigor'ev, E.I.; Myasoedova, T.G.; Nesterov, S.V.; Trakhtenberg, L.I.

1988-01-01

Primary products of γ-radiolysis of crown ethers with the same size of the macrocyclic ring and different substituents were studied by EPR and mass spectrometry. It was shown that introduction of substituents into the polyether ring increases the radiation stability of crown ethers due to intramolecular transfer of energy from the polyether ring to a substituent

Composite electrolytes composed of Cs-substituted phosphotungstic acid and sulfonated poly(ether-ether ketone) for fuel cell systems

Energy Technology Data Exchange (ETDEWEB)

Oh, Song-Yul, E-mail: ms089203@tutms.tut.ac.jp [Department of Materials Science, Toyohashi University of Technology, 1-1 Hibarigaoka, Tempaku-cho, Toyohashi, Aichi 441-8580 (Japan); Yoshida, Toshihiro; Kawamura, Go [Department of Materials Science, Toyohashi University of Technology, 1-1 Hibarigaoka, Tempaku-cho, Toyohashi, Aichi 441-8580 (Japan); Muto, Hiroyuki [Department of Materials Science and Engineering, Kurume National College of Technology, 1-1-1 Komorino, Kurume, Fukuoka 830-8555 (Japan); Sakai, Mototsugu [Department of Materials Science, Toyohashi University of Technology, 1-1 Hibarigaoka, Tempaku-cho, Toyohashi, Aichi 441-8580 (Japan); Matsuda, Atsunori, E-mail: matsuda@tutms.tut.ac.jp [Department of Materials Science, Toyohashi University of Technology, 1-1 Hibarigaoka, Tempaku-cho, Toyohashi, Aichi 441-8580 (Japan)

2010-10-15

Composite electrolytes composed of cesium hydrogen sulfate containing phosphotungstic acids (CsHSO{sub 4}-H{sub 3}PW{sub 12}O{sub 40}) and sulfonated poly(ether-ether ketone) (SPEEK) were prepared by casting the corresponding precursor for application in fuel cells. Partially Cs-substituted phosphotungstic acids (Cs{sub x}H{sub 3-x}PW{sub 12}O{sub 40}) were formed in the CsHSO{sub 4}-H{sub 3}PW{sub 12}O{sub 40} system by mechanochemical treatment. SPEEK was prepared from PEEK by sulfonation using concentrated sulfuric acid. Flexible composite electrolytes were obtained and their electrochemical properties were markedly improved with the addition of Cs{sub x}H{sub 3-x}PW{sub 12}O{sub 40}, into the SPEEK matrix. A maximum power density of 213 mW cm{sup -2} was obtained from the single cell test for 50H{sub 3}PW{sub 12}O{sub 40}-50CsHSO{sub 4} in SPEEK (1/5 by weight) composite electrolyte at 80 deg. C and at 80 RH%. Electrochemical properties and transmission electron microscopy (TEM) results suggest that three-dimensional cluster particles were formed and homogeneously distributed in the SPEEK matrix. The mechanochemically synthesized Cs{sub x}H{sub 3-x}PW{sub 12}O{sub 40} incorporated into the SPEEK matrix increased the number of protonate sites in the electrolyte. The composite electrolytes were successfully formed with Cs{sub x}H{sub 3-x}PW{sub 12}O{sub 40}, which consist of hydrogen bonding between surface of inorganic solid acids and not only -HSO{sub 4}{sup -} dissociated from CsHSO{sub 4} but also -SO{sub 3}H groups in the SPEEK.

Synthetic polyspermine imidazole-4, 5-amide as an efficient and cytotoxicity-free gene delivery system

Directory of Open Access Journals (Sweden)

Duan S

2012-07-01

Full Text Available Shi-Yue Duan, Xue-Mei Ge, Nan Lu, Fei Wu, Weien Yuan, Tuo JinSchool of Pharmacy, Shanghai Jiao Tong University, Shanghai, 200240, People's Republic of ChinaAbstract: A chemically dynamic spermine-based polymer: polyspermine imidazole-4, 5-amide (PSIA, Mw > 7 kDa was designed, synthesized, and evaluated in terms of its ability to deliver nucleic acids. This polymer was made from an endogenous monomer professionally condensing genes in sperms, spermine, and a known safety drug metabolite, imidazole-4, 5-dicarboxylic acid, through a bis-amide bond conjugated with the imidazole ring. This polymer can condense pDNA at a W/W ratio above 10 to form polyplexes (100–200 nm in diameter, which is consistent with the observation by transmission electron microscopy (TEM, and the zeta potential was in the range of 10–20 mV. The pDNA packaged polymer was stable in phosphate buffer solution (PBS at pH 7.4 (simulated body fluid while the polyplexes were releasing pDNA into the solution at pH 5.8 (simulated endo-lysosomes due to the degradation of the bis-amide linkages in response to changes in pH values. PSIA-polyplexes were able to achieve efficient cellular uptake and luciferase gene silencing by co-transfection of pDNA and siRNA in COS-7 cells and HepG2 cells with negligible cytotoxicity. Biodistribution of Rhodamine B-labeled PSIA-polyplexes after being systemically injected in BALB/c nude-mice showed that the polyplexes circulated throughout the body, accumulated mainly in the kidney at 4 hours of sample administration, and moved to the liver and spleen after 24 hours. All the results suggested that PSIA offered a promising example to balance the transfection efficiency and toxicity of a synthetic carrier system for the delivery of therapeutic nucleic acids.Keywords: gene delivery, polyspermine, cytotoxicity, transfection efficiency, biodistribution

Water swelling, brine soluble imidazole based zwitterionic polymers-synthesis and study of reversible UCST behaviour and gel-sol transitions

NARCIS (Netherlands)

Vasantha, Vivek Arjunan; Jana, Satyasankar; Parthiban, Anbanandam; Vancso, Julius G.

2014-01-01

New vinylbenzene substituted imidazole based zwitterionic polymers with unique characteristics like swelling in water and solubility in concentrated brine solution in which they exhibited a reversible upper critical solution temperature (UCST) and gel-sol transitions are reported herein. © 2014 The

Proton conductivity and fuel cell property of composite electrolyte consisting of Cs-substituted heteropoly acids and sulfonated poly(ether-ether ketone)

Energy Technology Data Exchange (ETDEWEB)

Oh, S.Y.; Yoshida, T.; Kawamura, G.; Sakai, M.; Matsuda, A. [Department of Materials Science, Toyohashi University of Technology, 1-1 Hibarigaoka, Tempaku-cho, Toyohashi, Aichi 441-8580 (Japan); Muto, H. [Department of Materials Science and Engineering, Kurume National College of Technology, 1-1-1 Komorino, Kurume, Fukuoka 830-8555 (Japan)

2010-09-15

Inorganic-organic composite electrolytes were fabricated from partially Cs{sup +}-substituted heteropoly acids (Cs-HPAs) and sulfonated poly(ether-ether ketone) (SPEEK) for application in fuel cells. Heteropoly acids, such as phosphotungstic acid (H{sub 3}PW{sub 12}O{sub 40}:WPA), and silicotungstic acid (H{sub 4}SiW{sub 12}O{sub 40}:WSiA), were mechanochemically treated with cesium hydrogen sulfate (CsHSO{sub 4}) to obtain the form of Cs-HPAs. SPEEK was prepared from PEEK by sulfonation using concentrated sulfuric acid. Water durability and surface structure of HPAs were modified by introducing Cs{sup +} into HPAs. Flexible and hot water stable composite electrolytes were obtained, and their electrochemical properties were markedly improved with the addition of Cs-HPAs into the SPEEK matrix. Maximum power densities of 245 and 247 mW cm{sup -2} were obtained for 50WPA.50CsHSO{sub 4} and 50WSiA.50CsHSO{sub 4} in SPEEK (1/5 by weight) composite electrolytes, respectively, from single cell tests at 80 C and 80 RH%. These results suggest that a three-dimensional proton-conductive path was formed among homogeneously distributed Cs-HPAs particles in the SPEEK matrix. The Cs-HPAs incorporated into the SPEEK matrix increased the number of protonate sites in the electrolyte. These observations imply that the mechanochemically synthesized Cs-HPAs, which consist of hydrogen bondings between Cs-HPAs and -HSO{sub 4}{sup -}, dissociated from CsHSO{sub 4}, are promising materials as inorganic fillers in inorganic-organic composite. (author)

Robust Inclusion Complexes of Crown Ether Fused Tetrathiafulvalenes with Li+@C-60 to Afford Efficient Photodriven Charge Separation

DEFF Research Database (Denmark)

Supur, M.; Kawashima, Y.; Larsen, K. R.

2014-01-01

) obtained by UV/Vis titrations in benzonitrile (PhCN) at room temperature. On the basis of DFT studies at the B3LYP/6-311G(d,p) level, the orbital interactions between the crown ether moieties and the p surface of the fullerene together with the endohedral Li+ have a crucial role in robust complex formation...

Increasing the thermopower of crown-ether-bridged anthraquinones

Science.gov (United States)

Ismael, Ali K.; Grace, Iain; Lambert, Colin J.

2015-10-01

We investigate strategies for increasing the thermopower of crown-ether-bridged anthraquinones. The novel design feature of these molecules is the presence of either (1) crown-ether or (2) diaza-crown-ether bridges attached to the side of the current-carrying anthraquinone wire. The crown-ether side groups selectively bind alkali-metal cations and when combined with TCNE or TTF dopants, provide a large phase-space for optimising thermoelectric properties. We find that the optimum combination of cations and dopants depends on the temperature range of interest. The thermopowers of both 1 and 2 are negative and at room temperature are optimised by binding with TTF alone, achieving thermpowers of -600 μV K-1 and -285 μV K-1 respectively. At much lower temperatures, which are relevant to cascade coolers, we find that for 1, a combination of TTF and Na+ yields a maximum thermopower of -710 μV K-1 at 70 K, whereas a combination of TTF and Li+ yields a maximum thermopower of -600 μV K-1 at 90 K. For 2, we find that TTF doping yields a maximum thermopower of -800 μV K-1 at 90 K, whereas at 50 K, the largest thermopower (of -600 μV K-1) is obtain by a combination TTF and K+ doping. At room temperature, we obtain power factors of 73 μW m-1 K-2 for 1 (in combination with TTF and Na+) and 90 μW m-1 K-2 for 2 (with TTF). These are higher or comparable with reported power factors of other organic materials.We investigate strategies for increasing the thermopower of crown-ether-bridged anthraquinones. The novel design feature of these molecules is the presence of either (1) crown-ether or (2) diaza-crown-ether bridges attached to the side of the current-carrying anthraquinone wire. The crown-ether side groups selectively bind alkali-metal cations and when combined with TCNE or TTF dopants, provide a large phase-space for optimising thermoelectric properties. We find that the optimum combination of cations and dopants depends on the temperature range of interest. The

Characterization of a poly(ether urethane)-based controlled release membrane system for delivery of ketoprofen

International Nuclear Information System (INIS)

Macocinschi, Doina; Filip, Daniela; Vlad, Stelian; Oprea, Ana Maria; Gafitanu, Carmen Anatolia

2012-01-01

Highlights: ► Ketoprofen incorporation in poly(ether urethane) microporous membrane. ► Moisture sorption properties of as-cast membrane. ► Drug release mechanisms in function of pH and composition of membranes. - Abstract: A poly(ether urethane) based on polytetrahydrofuran containing hydroxypropyl cellulose for biomedical applications was tested for its biocompatibility. Ketoprofen was incorporated (3% and 6%) in the polyurethane matrix as an anti-inflammatory drug. Kinetic and drug release mechanisms were studied. The pore size and pore size distribution of the polyurethane membranes were investigated by scanning electron microscopy. Surface tension characteristics as well as moisture sorption properties such as diffusion coefficients and equilibrium moisture contents of the membrane material were studied. It was found that kinetics and release mechanisms are in function of medium pH, composition of polymer–drug system, pore morphology and pore size distribution. Prolonged nature of release of ketoprofen is assured by low amount of drug in polyurethane membrane and physiological pH.

A novel sulfonated poly(ether ether ketone) and cross-linked membranes for fuel cells

Energy Technology Data Exchange (ETDEWEB)

Li, Hongtao; Zhang, Gang; Wu, Jing; Zhao, Chengji; Zhang, Yang; Shao, Ke; Han, Miaomiao; Lin, Haidan; Zhu, Jing; Na, Hui [Alan G MacDiarmid Institute, College of Chemistry, Jilin University, Qianjin Street 2699, Changchun 130012, Jilin (China)

2010-10-01

A novel poly(ether ether ketone) (PEEK) containing pendant carboxyl groups has been synthesized by a nucleophilic polycondensation reaction. Sulfonated polymers (SPEEKs) with different ion exchange capacity are then obtained by post-sulfonation process. The structures of PEEK and SPEEKs are characterized by both FT-IR and {sup 1}H NMR. The properties of SPEEKs as candidates for proton exchange membranes are studied. The cross-linking reaction is performed at 140 C using poly(vinyl alcohol) (PVA) as the cross-linker. In comparison with the non-cross-linked membranes, some properties of the cross-linked membranes are significantly improved, such as water uptake, methanol resistance, mechanical and oxidative stabilities, while the proton conductivity decreases. The effect of PVA content on proton conductivity, water uptake, swelling ratio, and methanol permeability is also investigated. Among all the membranes, SPEEK-C-8 shows the highest selectivity of 50.5 x 10{sup 4} S s cm{sup -3}, which indicates that it is a suitable candidate for applications in direct methanol fuel cells. (author)

Rheological, mechanical and tribological properties of carbon-nanofibre reinforced poly (ether ether ketone composites

Directory of Open Access Journals (Sweden)

Volker Altstaedt

2003-12-01

Full Text Available Poly(ether ether ketone nanocomposites containing vapour-grown carbon nanofibres (CNF were produced using standard polymer processing techniques. At high shear rates no significant increase in resin viscosity was observed. Nevertheless, the addition of the CNFs results in a higher melt strength at 360°C. Electron microscopy confirmed the homogeneous dispersion and alignment of nanofibres in the polymer matrix. Evaluation of the mechanical composite properties revealed a linear increase in tensile stiffness and strength with nanofibre loading fractions up to 15 wt% whilst matrix ductility was maintained up to 10 wt%. An interpretation of the composite performance by short-fibre theory resulted in rather low intrinsic stiffness properties of the vapour-grown CNF. Differential scanning calorimetry was used to investigate crystallization kinetics and degree of crystallinity. The CNFs were found not to act as nucleating sites. Furthermore, unidirectional sliding tests against two different counterpart materials (100Cr6 martensitic bearing steel, X5CrNi18-10 austenitic stainless steel were performed. The carbon nanofibres were found to reduce the wear rate of PEEK significantly.

Ether gas-sensor based on Au nanoparticles-decorated ZnO microstructures

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Roberto López

Full Text Available An ether gas-sensor was fabricated based on gold nanoparticles (Au-NPs decorated zinc oxide microstructures (ZnO-MS. Scanning electron microscope (SEM and high-resolution transmission electron microscope (HRTEM measurements were performed to study morphological and structural properties, respectively, of the ZnO-MS. The gas sensing response was evaluated in a relatively low temperature regime, which ranged between 150 and 250 °C. Compared with a sensor fabricated from pure ZnO-MS, the sensor based on Au-NPs decorated ZnO-MS showed much better ether gas response at the highest working temperature. In fact, pure ZnO-MS based sensor only showed a weak sensitivity of about 25%. The improvement of the ether gas response for sensor fabricated with Au-NPs decorated ZnO-MS was attributed to the catalytic activity of the Au-NPs. Keywords: ZnO microstructures, Au nanoparticles, Ether, Gas sensor

1-[(1-Methyl-1H-imidazol-5-ylmethyl]-1H-indole-5-carbonitrile

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Josephus Jacobus de Jager

2012-12-01

Full Text Available In the title compound, C14H12N4, the dihedral angle between the indole ring system (r.m.s. deviation = 0.010 Å and the imidazole ring is 77.70 (6°. In the crystal, molecules are linked by C—H...N hydrogen bonds. One set of hydrogen bonds forms an undulating chain running parallel to the b-axis direction, while the other undulating chain is parallel to the c-axis direction. In combination, (100 sheets result.

Bis(1H-imidazole-κN3bis(1-naphthaleneacetato-κ2O,O′cadmium(II

Directory of Open Access Journals (Sweden)

Hong-Mian Wu

2008-05-01

Full Text Available In the mononuclear title compound, [Cd(C12H9O22(C3H4N22], the CdII centre has a distorted octahedral coordination geometry defined by four O atoms from two naphthaleneacetate ligands and two N atoms from two imidazole ligands. The molecules are linked by N—H...O hydrogen bonds, forming a layer network.

Structure and thermal performance of poly(ethylene glycol) alkyl ether (Brij)/porous silica (MCM-41) composites as shape-stabilized phase change materials

Energy Technology Data Exchange (ETDEWEB)

Zhang, Lingjian; Shi, Haifeng, E-mail: haifeng.shi@gmail.com; Li, Weiwei; Han, Xu; Zhang, Xingxiang, E-mail: zhangpolyu@gmail.com

2013-10-20

Graphical abstract: The maximum 50 wt% Brij58 is loaded into the porous MCM-41 networks, and a new peak at 18.8° in XRD patterns confirmed the changes of crystallization behavior of Brij58 against the bulk one. - Highlights: • Poly(ethylene glycol) hexadecyl ether and poly(ethylene glycol) octadecyl ether have the good thermal storage ability. • New peak at 18.8° proved the coexisted confined crystallization and nucleation-induced crystallization. • Poly(ethylene glycol) alkyl ether/MCM-41 PCMs exhibits the good thermal stability. - Abstract: A series of shape-stabilized phase change materials (PCMs), composed of poly(ethylene glycol) hexadecyl ether (Brij58) or poly(ethylene glycol) octadecyl ether (Brij76) and porous silica (MCM-41), were prepared by the physical mixing method. The structure, thermal stability, energy storage ability and crystallization behavior of these composites are deeply investigated and characterized by Fourier transform infrared spectroscopy (FTIR), differential scanning calorimetry (DSC), scanning electron microscopy (SEM), wide-angle X-ray diffraction (WAXD) and thermogravimetric analysis (TGA). Obvious phase transition behavior and energy storage capability are observed for these Brij/MCM-41 composites, and the heat storage efficiency increased with the weight of Brij component. New peak at 18.8° demonstrated that the pore size and the surface adsorption ability of MCM-41 affect the crystallization behavior of Brij molecule. The crystalline structure and energy storage ability of these Brij/MCM-41 composites are discussed based on the crystallization process.

Biomedical potentials of crown ethers: prospective antitumor agents.

Science.gov (United States)

Kralj, Marijeta; Tusek-Bozić, Ljerka; Frkanec, Leo

2008-10-01

Crown ethers are of enormous interest and importance in chemistry, biochemistry, materials science, catalysis, separation, transport and encapsulated processes, as well as in the design and synthesis of various synthetic systems with specific properties, diverse capabilities, and programmable functions. Classical crown ethers are macrocyclic polyethers that contain 3-20 oxygen atoms separated from each other by two or more carbon atoms. They are exceptionally versatile in selectively binding a range of metal ions and a variety of organic neutral and ionic species. Crown ethers are currently being studied and used in a variety of applications beyond their traditional place in chemistry. This review presents additional applications and the ever-increasing biomedical potentials of these intriguing compounds, with particular emphasis on the prospects of their relevance as anticancer agents. We believe that further research in this direction should be encouraged, as crown compounds could either induce toxicities that are different from those of conventional antitumor drugs, or complement drugs in current use, thereby providing a valuable adjunct to therapy.

Proton-conducting membranes based on benzimidazole-containing sulfonated poly(ether ether ketone) compared with their carboxyl acid form

Energy Technology Data Exchange (ETDEWEB)

Li, Hongtao; Wu, Jing; Zhao, Chengji; Zhang, Gang; Zhang, Yang; Shao, Ke; Xu, Dan; Lin, Haidan; Han, Miaomiao; Na, Hui [Alan G MacDiarmid Institute, College of Chemistry, Jilin University, Changchun 130012 (China)

2009-10-15

A series of sulfonated poly(ether ether ketone) containing pendant carboxyl (C-SPEEKs) have been synthesized using a nucleophilic polycondesation reaction. A condensation reaction between 1,2-diaminobenzene and carboxyl resulted in a new series of copolymers containing benzimidazole groups (SPEEK-BIms). The expected structures of the sulfonated copolymers are confirmed by {sup 1}H NMR. The dependence of ion exchange capacity, water uptake, proton conductivity and methanol diffusion coefficient of SPEEK-BIm membranes has been studied and compared with their carboxyl acid form. The results suggest that the introduction of benzimidazole groups may be responsible for many excellent properties of the membranes for fuel cell. It is noticeable that the markedly improved oxidative stability is benefit for the application of membrane. (author)

Highly sensitive analysis of polycyclic aromatic hydrocarbons in environmental water with porous cellulose/zeolitic imidazolate framework-8 composite microspheres as a novel adsorbent coupled with high-performance liquid chromatography.

Science.gov (United States)

Liang, Xiaotong; Liu, Shengquan; Zhu, Rong; Xiao, Lixia; Yao, Shouzhuo

2016-07-01

In this work, novel cellulose/zeolitic imidazolate frameworks-8 composite microspheres have been successfully fabricated and utilized as sorbent for environmental polycyclic aromatic hydrocarbons efficient extraction and sensitive analysis. The composite microspheres were synthesized through the in situ hydrothermal growth of zeolitic imidazolate frameworks-8 on cellulose matrix, and exhibited favorable hierarchical structure with chemical composition as assumed through scanning electron microscopy, Fourier transform infrared spectroscopy, X-ray diffraction patterns, and Brunauer-Emmett-Teller surface areas characterization. A robust and highly efficient method was then successfully developed with as-prepared composite microspheres as novel solid-phase extraction sorbent with optimum extraction conditions, such as sorbent amount, sample volume, extraction time, desorption conditions, volume of organic modifier, and ionic strength. The method exhibited high sensitivity with low limit of detection down to 0.1-1.0 ng/L and satisfactory linearity with correlation coefficients ranging from 0.9988 to 0.9999, as well as good recoveries of 66.7-121.2% with relative standard deviations less than 10% for environmental polycyclic aromatic hydrocarbons analysis. Thus, our method was convenient and efficient for polycyclic aromatic hydrocarbons extraction and detection, potential for future environmental water samples analysis. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Protective effects of ether, oxygen and their mixture for radiation in Drosophila melanogaster

International Nuclear Information System (INIS)

Megumi, Tsuneo; Tsujii, Yukio; Gamo, Sumiko

1992-01-01

Protective effects of ether mixed with air or oxygen against ionizing radiation damages were demonstrated in adult flies of Drosophila melanogaster. The protective effects against knock-down on the second day and lethality on the eighth day after irradiation were not affected by the radiation sensitivity and DNA repair capacity of the strains. Ether (4.2%) in oxygen was more effective than ether in air for both endpoints. The protective effects may be due to damages not involving cell division, since no mitotic cells are observed in adult flies except in gonadal glands. A change in the orderliness of the cell membrane by ether is suggested to be the cause of the protective effects. (author). 16 refs.; 3 tabs

A study of the vaporization enthalpies of some 1-substituted imidazoles and pyrazoles by correlation-gas chromatography.

Science.gov (United States)

Lipkind, Dmitry; Plienrasri, Chatchawat; Chickos, James S

2010-12-23

The vaporization enthalpies of 1-methyl-, 1-ethyl-, 1-phenyl-, and 1-benzylimidazole, 1-methyl- and 1-phenylpyrazole, and trans-azobenzene are evaluated by correlation-gas chromatography (C-GC) using a variety of azines and diazines as standards. The vaporization enthalpies obtained by C-GC when compared to literature values are approximately 14 kJ·mol(-1) smaller for the imidazoles and 6 kJ·mol(-1) smaller for the pyrazoles. The literature vaporization enthalpies of 1-methylpyrrole and 1-methylindole, two closely related compounds with one less nitrogen, are reproduced by C-GC. These results suggest that the magnitude of the intermolecular interactions present in 1-substituted imidazoles and pyrazoles are significantly larger than the those present in the reference compounds and greater than or equal in magnitude to the enhanced intermolecular interactions observed previously in aromatic 1,2-diazines. The vaporization enthalpy and vapor pressure of a trans-1,2-diazine, trans-azobenzene, measured by C-GC using similar standards reproduced the literature values within experimental error.

Bisphenol diglycidyl ethers and bisphenol A and their hydrolysis in drinking water.

Science.gov (United States)

Lane, R F; Adams, C D; Randtke, S J; Carter, R E

2015-04-01

Epoxy coatings are commonly used to protect the interior (and exterior) surfaces of water mains and storage tanks and can be used on the interior surfaces of water pipes in homes, hospitals, hotels, and other buildings. Common major components of epoxies include bisphenols, such as bisphenol A (BPA) or bisphenol F (BPF), and their reactive prepolymers, bisphenol A diglycidyl ether (BADGE) and bisphenol F diglycidyl ether (BFDGE), respectively. There currently are health concerns about the safety of BPA and BPF due to known estrogenic effects. Determination of key bisphenol leachates, development of a hydrolysis model, and identification of stable hydrolysis products will aid in assessment of human bisphenol exposure through ingestion of drinking water. Liquid chromatography/mass spectrometry (LC/MS/MS) was used for quantitation of key analytes, and a pseudo-first order kinetic approach was used for modeling. In fill-and-dump studies on epoxy-coated pipe specimens, BADGE and a BPA-like compound were identified as leachates. The BADGE hydrolysis model predicts BADGE half-lives at pH 7 and 15, 25, 35, and 40 °C to be 11, 4.6, 2.0, and 1.4 days respectively; the BFDGE half-life was 5 days at pH 7 and 25 °C. The two identified BADGE hydrolysis products are BADGE-H2O and BADGE 2H2O, with BADGE 2H2O being the final end product under the conditions studied. Copyright © 2015 Elsevier Ltd. All rights reserved.

PEEK (polyether-ether-ketone)-coated nitinol wire: Film stability for biocompatibility applications

Energy Technology Data Exchange (ETDEWEB)

Sheiko, Nataliia [Institut Charles Sadron, C.N.R.S. UPR 22, Université de Strasbourg, 23 rue du Loess, BP 84047, 67034 Strasbourg Cedex 2 (France); Kékicheff, Patrick, E-mail: patrick.kekicheff@ics-cnrs.unistra.fr [Institut Charles Sadron, C.N.R.S. UPR 22, Université de Strasbourg, 23 rue du Loess, BP 84047, 67034 Strasbourg Cedex 2 (France); Marie, Pascal; Schmutz, Marc; Jacomine, Leandro [Institut Charles Sadron, C.N.R.S. UPR 22, Université de Strasbourg, 23 rue du Loess, BP 84047, 67034 Strasbourg Cedex 2 (France); Perrin-Schmitt, Fabienne [Faculté de Médecine, INSERM, UMR-S 1121, “Biomaterials and Bioengineering”, Université de Strasbourg, 11 rue Humann, 67085 Strasbourg Cedex (France)

2016-12-15

Highlights: • A thin (12 μm) homogeneous PEEK film without any defects or voids is deposited on NiTi wires. • The coating remains stable in biological environment with negligible Ni ion release and no cytotoxicity. • Large pressure (>2 GPa) can only disrupt the coating film as shown by nanoscratch tests. • Coated spring wires sustain mechanical stress in continuous cycles of axial compression/stretching for >7 million cycles. - Abstract: High quality biocompatible poly-ether-ether-ketone (PEEK) coatings were produced on NiTi shape memory alloy wires using dipping deposition from colloidal aqueous PEEK dispersions after substrate surface treatment. The surface morphology and microstructure were investigated by Scanning Electron Microscopy at every step of the process from the as-received Nitinol substrate to the ultimate PEEK-coated NiTi wire. Nanoscratch tests were carried out to access the adhesive behavior of the polymer coated film to the NiTi. The results indicate that the optimum process conditions in cleaning, chemical etching, and electropolishing the NiTi, were the most important and determining parameters to be achieved. Thus, high quality PEEK coatings were obtained on NiTi wires, straight or curved (even with a U-shape) with a homogeneous microstructure along the wire length and a uniform thickness of 12 μm without any development of cracks or the presence of large voids. The biocompatibility of the PEEK coating film was checked in fibrobast cultured cells. The coating remains stable in biological environment with negligible Ni ion release, no cytotoxicity, and no delamination observed with time.

PEEK (polyether-ether-ketone)-coated nitinol wire: Film stability for biocompatibility applications

International Nuclear Information System (INIS)

Sheiko, Nataliia; Kékicheff, Patrick; Marie, Pascal; Schmutz, Marc; Jacomine, Leandro; Perrin-Schmitt, Fabienne

2016-01-01

Highlights: • A thin (12 μm) homogeneous PEEK film without any defects or voids is deposited on NiTi wires. • The coating remains stable in biological environment with negligible Ni ion release and no cytotoxicity. • Large pressure (>2 GPa) can only disrupt the coating film as shown by nanoscratch tests. • Coated spring wires sustain mechanical stress in continuous cycles of axial compression/stretching for >7 million cycles. - Abstract: High quality biocompatible poly-ether-ether-ketone (PEEK) coatings were produced on NiTi shape memory alloy wires using dipping deposition from colloidal aqueous PEEK dispersions after substrate surface treatment. The surface morphology and microstructure were investigated by Scanning Electron Microscopy at every step of the process from the as-received Nitinol substrate to the ultimate PEEK-coated NiTi wire. Nanoscratch tests were carried out to access the adhesive behavior of the polymer coated film to the NiTi. The results indicate that the optimum process conditions in cleaning, chemical etching, and electropolishing the NiTi, were the most important and determining parameters to be achieved. Thus, high quality PEEK coatings were obtained on NiTi wires, straight or curved (even with a U-shape) with a homogeneous microstructure along the wire length and a uniform thickness of 12 μm without any development of cracks or the presence of large voids. The biocompatibility of the PEEK coating film was checked in fibrobast cultured cells. The coating remains stable in biological environment with negligible Ni ion release, no cytotoxicity, and no delamination observed with time.

Radiolytic decomposition of 4-bromodiphenyl ether

International Nuclear Information System (INIS)

Tang Liang; Xu Gang; Wu Wenjing; Shi Wenyan; Liu Ning; Bai Yulei; Wu Minghong

2010-01-01

Polybrominated diphenyl ethers (PBDEs) spread widely in the environment are mainly removed by photochemical and anaerobic microbial degradation. In this paper, the decomposition of 4-bromodiphenyl ether (BDE -3), the PBDEs homologues, is investigated by electron beam irradiation of its ethanol/water solution (reduction system) and acetonitrile/water solution (oxidation system). The radiolytic products were determined by GC coupled with electron capture detector, and the reaction rate constant of e sol - in the reduction system was measured at 2.7 x 10 10 L · mol -1 · s -1 by pulsed radiolysis. The results show that the BDE-3 concentration affects strongly the decomposition ratio in the alkali solution, and the reduction system has a higher BDE-3 decomposition rate than the oxidation system. This indicates that the BDE-3 was reduced by effectively capturing e sol - in radiolytic process. (authors)

Occurrence and levels of polybrominated diphenyl ethers in surface sediments from the Yellow River Estuary, China.

Science.gov (United States)

Yuan, Zijiao; Liu, Guijian; Lam, Michael Hon Wah; Liu, Houqi; Da, Chunnian

2016-05-01

A total of 21 surface sediments collected from the Yellow River Estuary, China were analyzed for 40 kinds of polybrominated diphenyl ethers (PBDEs) using gas chromatography-mass spectrometry (GC-MS). Their levels, spatial distribution, congener profiles and possible sources were investigated. Only ten congeners were detected in the sediments. The total concentrations of the lower brominated BDEs (∑PBDEslow, PBDEs excluding BDE 209) and BDE 209 ranged from 0.482 ng/g to 1.07 ng/g and 1.16-5.40 ng/g, with an average value of 0.690 and 2.79 ng/g, respectively, which were both at the low end of the global contamination level. The congener profiles were dominated by BDE 209, with the average value accounting for 79.2% of the total PBDEs in the sediment samples. Among the nine lower brominated BDE congeners, BDE 47, 99 and 183 had high abundances. Although the commercial Penta/Octa-BDE products have been banned in most countries, the residual commercial Penta/Octa/Deca-BDE products and the debromination of highly brominated BDE compounds such as BDE 209 were still found to be the possible sources for the trace level of PBDEs in the present study area. In spite of the gradual removal of the commercial PBDEs in the world, the present research results further suggested that scientific attention should not be reduced on the issue of environmental contamination caused by these outdated chemical compounds. Copyright © 2016 Elsevier Ltd. All rights reserved.

Dimethylzinc-Initiated Radical Coupling of β-Bromostyrenes with Ethers and Amines

DEFF Research Database (Denmark)

Sølvhøj, Amanda Birgitte; Ahlburg, Andreas; Madsen, Robert

2015-01-01

A new coupling reaction has been developed in which β-bromostyrenes react with ethers and tertiary amines to introduce the styryl group in the α-position. The transformation is mediated by Me2Zn/O2 with 10 % MnCl2 and is believed to proceed by a radical addition-elimination mechanism. The ether...... and the amine are employed as solvent and the coupling takes place through the most stable α radical for unsymmetrical substrates. The products are obtained in moderate to good yields as the pure E isomers. The coupling can be achieved with a range of smaller cyclic and acyclic ethers/amines as well as various...

Thermal and mechanical stability of zeolitic imidazolate frameworks polymorphs

Directory of Open Access Journals (Sweden)

Lila Bouëssel du Bourg

2014-12-01

Full Text Available Theoretical studies on the experimental feasibility of hypothetical Zeolitic Imidazolate Frameworks (ZIFs have focused so far on relative energy of various polymorphs by energy minimization at the quantum chemical level. We present here a systematic study of stability of 18 ZIFs as a function of temperature and pressure by molecular dynamics simulations. This approach allows us to better understand the limited stability of some experimental structures upon solvent or guest removal. We also find that many of the hypothetical ZIFs proposed in the literature are not stable at room temperature. Mechanical and thermal stability criteria thus need to be considered for the prediction of new MOF structures. Finally, we predict a variety of thermal expansion behavior for ZIFs as a function of framework topology, with some materials showing large negative volume thermal expansion.

The marine sponge Agelas citrina as a source of the new pyrrole–imidazole alkaloids citrinamines A–D and N-methylagelongine

Directory of Open Access Journals (Sweden)

Christine Cychon

2015-10-01

Full Text Available The chemical investigation of the Caribbean sponge Agelas citrina revealed four new pyrrole–imidazole alkaloids (PIAs, the citrinamines A–D (1–4 and the bromopyrrole alkaloid N-methylagelongine (5. All citrinamines are dimers of hymenidin (6 which was also isolated from this sponge as the major metabolite. Citrinamines A (1 and B (2 are derivatives of the PIA dimer mauritiamine (7, whereas citrinamine C (3 is derived from the PIA dimer nagelamide B (8. Citrinamine D (4 shows an uncommon linkage between the imidazole rings of both monomeric units as it is only observed in the benzocyclobutane ring moiety of benzosceptrins A–C (9–11. Compound 5 is the N-methyl derivative of agelongine (12 which consist of a pyridinium ring and an ester linkage instead of the aminoimidazole moiety and the common amide bond in PIAs.

Poly (ether ether ketone) membranes for fuel cells; Membranas de poli (eter eter cetona) sulfonado para celulas a combustivel

Energy Technology Data Exchange (ETDEWEB)

Marrero, Jacqueline C.; Gomes, Ailton de S.; Filho, Jose C.D., E-mail: jacquecosta@gmail.com [Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, RJ (Brazil); Hui, Wang S. [Universidade de Sao Paulo (USP), Sao Paulo, SP (Brazil); Oliveira, Vivianna S. de [Escola Tecnica Rezende-Rammel, Rio de Janeiro, RJ (Brazil)

2015-07-01

Polymeric membranes were developed using a SPEEK polymer matrix (sulphonated poly (ether ether ketone)), containing hygroscopic particles of zirconia (Zr) (incorporated by sol-gel method), for use as electrolyte membranes in fuel cells. SPEEK with different sulfonation degrees were used: 63 and 86%. The thermal analysis (TGA and DSC) was carried out to characterize the membranes and electrochemical impedance spectroscopy (EIS) was carried out to evaluating the proton conductivity of the membranes. Additional analysis were underway in order to characterize these membranes, which include: X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM) in order to evaluate the influence of zirconia and sulfonation degree on the properties of the membranes. (author)

Perfluorocyclobutane containing aromatic ether polymers as planarization materials for alternative magnetic media substrates

Science.gov (United States)

Perettie, Donald J.; Judy, Jack; Chen, Qixu; Keirstead, Rick

1994-11-01

Perfluorocyclobutane aromatic ether polymers (PFCB) are being researched as planarization materials for alternative magnetic media substrates allowing smoother surfaces for lower head flying recording. The results of current work reported herein have shown that PFCB can be used to affect surfaces on canasite with R(sub A)'s less than 2 nm. In addition, magnetic media can be produced of a quality comparative to that obtained on standard NiP-coated Al as well as that produced on regular canasite with equivalent coercivities at about 1500-1600 Oe and squarenesses of 0.8 or better. In addition to the above magnetic properties the recording performance was excellent with signal-to-noise ratios of planarized media 3.5 dB higher than that on regular canasite.

Optimised mounting conditions for poly (ether sulfone) in radiation detection.

Science.gov (United States)

Nakamura, Hidehito; Shirakawa, Yoshiyuki; Sato, Nobuhiro; Yamada, Tatsuya; Kitamura, Hisashi; Takahashi, Sentaro

2014-09-01

Poly (ether sulfone) (PES) is a candidate for use as a scintillation material in radiation detection. Its characteristics, such as its emission spectrum and its effective refractive index (based on the emission spectrum), directly affect the propagation of light generated to external photodetectors. It is also important to examine the presence of background radiation sources in manufactured PES. Here, we optimise the optical coupling and surface treatment of the PES, and characterise its background. Optical grease was used to enhance the optical coupling between the PES and the photodetector; absorption by the grease of short-wavelength light emitted from PES was negligible. Diffuse reflection induced by surface roughening increased the light yield for PES, despite the high effective refractive index. Background radiation derived from the PES sample and its impurities was negligible above the ambient, natural level. Overall, these results serve to optimise the mounting conditions for PES in radiation detection. Copyright © 2014 Elsevier Ltd. All rights reserved.

Synthesis and characterization of new N-heterocyclic carbene ligands: 1,3-Bis(acetamide)imidazol-3-ium bromide and 3-(acetamide)-1-(3-aminopropyl)-1H-imidazol-3-ium bromide

Science.gov (United States)

Turkyilmaz, Murat; Uluçam, Gühergül; Aktaş, Şaban; Okan, S. Erol

2017-05-01

Two new pincer type N-heterocyclic carbene ligands were synthesized. The compounds were characterized by FTIR, NMR (1H, 13C) GC-MS and elemental analyses. They were also both modelled by DFT calculations as the crystal structure of 1,3-bis(acetamide)imidazol-3-ium bromide was determined by XRD which is an orthorhombic system with space group P21212. The structural analyses in gas phase were realized by comparing the experimental NMR and IR spectra with those of the theoretical calculations. In vitro biological activities of the molecules were determined and found that one of them exhibits significant cytotoxic activity.

Synthesis of pyrido[1,2-a]benzimidazoles and other fused imidazole derivatives with a bridgehead nitrogen atom

Science.gov (United States)

Begunov, Roman S.; Ryzvanovich, Galina A.

2013-01-01

Main methods for the synthesis of fused imidazole derivatives with a bridgehead nitrogen atom are systematically considered and summarized. The reaction mechanisms that underlie the methods for the synthesis of pyrido[1,2-a]benzimidazoles and related compounds are described. Biological properties and mechanisms of the biological activity of fused azaheterocycles are discussed. The bibliography includes 152 references.

Effect of phenols and carboxylic acids on photochromism of 1-alkyl-2-(arylazo)imidazoles

Energy Technology Data Exchange (ETDEWEB)

Gayen, Pallab [Inorganic Chemistry Section, Department of Chemistry, Jadavpur University, Kolkata 700032 (India); Sinha, Chittaranjan, E-mail: c_r_sinha@yahoo.com [Inorganic Chemistry Section, Department of Chemistry, Jadavpur University, Kolkata 700032 (India)

2012-09-15

Light irradiated trans-to-cis isomerization of 1-alkyl-2-(arylazo)imidazole in the presence of phenol, catechol, benzoic acid and salicylic acid (called co-factors) has been studied in this work. The rate of trans{yields}cis photoisomerization is decreased in the presence of co-factor in the medium and is dependent on the concentration of active quotient about photochrome. The decrease in rate follows catechol>benzoic acid>phenol>salicylic acid. This trend is due to the effects of dissociation ability of -O-H/-COOH, intermolecular association of the molecules etc. The reverse change, cis-to-trans, is very slow in light irradiation and has been carried out by a thermal process in the dark. The quantum yield of isomerization follows the same sequence of effects of co-factors. - Highlights: Black-Right-Pointing-Pointer Photoisomerisation of 1-alkyl-2-(arylazo)imidazoles, trans-to-cis, is described in this work. Black-Right-Pointing-Pointer The process is sensitive to the environment of the photochrome and the solution. Black-Right-Pointing-Pointer The rate of photoisomerization decreases as catechol>benzoic acid>phenol>salicylic acid. Black-Right-Pointing-Pointer The reverse isomerization, cis-to-trans is very slow with light and has been carried out with heat. Black-Right-Pointing-Pointer The activation energy is less than these values when carried out in fresh solution only.

IRON(III) NITRATE-CATALYZED FACILE SYNTHESIS OF DIPHENYLMETHYL (DPM) ETHERS FROM ALCOHOLS

Science.gov (United States)

Diphenyl methyl (DPM) ethers constitute important structural portion of some pharmaceutical entities and also as protective group for hydroxyl groups in synthetic chemistry. DPM ethers are normally prepared using concentrated acids or base as catalysts, which may result in the fo...

Thermal and oxidative degradation studies of formulated C-ethers by gel-permeation chromatography

Science.gov (United States)

Jones, W. R., Jr.; Morales, W.

1982-01-01

Gel-permeation chromatography was used to analyze C-ether lubricant formulations from high-temperature bearing tests and from micro-oxidation tests. Three mu-styragel columns (one 500 and two 100 A) and a tetrahydrofuran mobile phase were found to adequately separate the C-ether degradation products. The micro-oxidation tests yielded degradation results qualitatively similar to those observed from the bearing tests. Micro-oxidation tests conducted in air yielded more degradation than did tests in nitrogen. No great differences were observed between the thermal-oxidative stabilities of the two C-ether formulations or between the catalytic degradation activities of silver and M-50 steel. C-ether formulation I did yield more degradation than did formulation II in 111- and 25-hour bearing tests, respectively.

Synthesis and antimicrobial properties of 3-aryl-1-(1,1'-biphenyl-4-yl)-2-(1H-imidazol-1-yl)propanes as 'carba-analogues' of the N-arylmethyl-N-[(1,1'-biphenyl)-4-ylmethyl])-1H-imidazol-1-amines, a new class of antifungal agents.

Science.gov (United States)

Castellano, Sabrina; Stefancich, Giorgio; Chillotti, Annalisa; Poni, Graziella

2003-08-01

A new series of 3-phenyl-1-(1,1'-biphenyl-4-yl)-2-(1H-imidazol-1-yl)propane derivatives 2a-l (related to the antifungal bifonazole) was synthesized and tested for antimicrobial activity. A number of substituents on the phenyl ring were chosen to compare the relative biological properties with those of corresponding aza-analogues, previously described by us. The in vitro antifungal activities of the newly synthesized azoles were tested against several pathogenic fungi responsible for human disease. Test pathogens included representatives of yeasts (Candida albicans, Candida parapsilosis, Criptococcus neoformans), dermathophytes (Tricophyton verrucosum, Tricophyton rubrum, Microsporum gypseum) and moulds (Aspergillus fumigatus). Bifonazole and miconazole were used as reference drugs. Title compounds were prepared by alkylation of 1-biphenyl-4-yl-2-imidazol-1-yl-ethanone with the proper arylmethyl halide and subsequent reduction of corresponding ketones applying the Huang-Minlon modification of the Wolff-Kishner reaction.

Direct dimethyl ether fueling of a high temperature polymer fuel cell

DEFF Research Database (Denmark)

Jensen, Jens Oluf; Vassiliev, Anton; Olsen, M.I.

2012-01-01

Direct dimethyl ether (DME) fuel cells suffer from poor DME–water miscibility and so far peak powers of only 20–40 mW cm−2 have been reported. Based on available literature on solubility of dimethyl ether (DME) in water at ambient pressure it was estimated that the maximum concentration of DME at...

Synthesis of Novel Bibrachial Lariat Ethers (BiBLEs) Containing [1,2 ...

African Journals Online (AJOL)

NICO

A practical and regioselective method for the synthesis of cis-diastereomers of bibrachial lariat ethers (BiBLEs) bearing ester and amide groups is reported. The novel bibrachial lariat ethers (BiBLEs) 3a–d with neutral side chains were prepared by reaction of the corresponding aza-crown macrocycles 1a–b with ethyl ...

Isothermal (vapor + liquid) equilibria and excess enthalpy data of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary systems at several temperatures

International Nuclear Information System (INIS)

Hani, Rachida; Solimando, Roland; Negadi, Latifa; Jose, Jacques; Ait Kaci, Ahmed

2012-01-01

Highlights: ► Vapor pressures of (1-hexene + methyl butyl ether) or (1-hexene + methyl tert-butyl ether) are reported between (263 and 363) K. ► The two mixtures exhibit positive G E . ► Additionally, molar excess enthalpies, H E , for the two binary systems have been measured at 303.15. - Abstract: The vapor pressures of {1-hexene + methyl butyl ether (MBE)} and {1-hexene + methyl tert-butyl ether (MTBE)} binary mixtures and of the three pure components were measured by means of a static device at temperatures between (263 and 333) K. The data were correlated with the Antoine equation. From these data, excess Gibbs functions were calculated for several constant temperatures and fitted to a third-order Redlich–Kister equation using the Barker’s method. Additionally, molar excess enthalpies, H E , for the two binary systems have been measured at 303.15 K using an isothermal flow calorimeter.

Metabolism of nitrodiphenyl ether herbicides by dioxin-degrading bacterium Sphingomonas wittichii RW1.

Science.gov (United States)

Keum, Young Soo; Lee, Young Ju; Kim, Jeong-Han

2008-10-08

Nitrodiphenyl ether herbicides, including chlomethoxyfen, nitrofen, and oxyfluorfen are potent herbicides. Some metabolites and parent compounds are considered as possible mutagens and endocrine disruptors. Both properties pose serious hygienic and environmental risks. Sphingomonas wittichii RW1 is a well-known degrader of polychlorinated dibenzo- p-dioxins, dibenzofurans, and diphenyl ethers. However, no detailed research of its metabolic activity has been performed against pesticides with a diphenyl ether scaffold. In this study, we report S. wittichii RW1 as a very potent diphenyl ether herbicide-metabolizing bacterium with broad substrate specificity. The structures of metabolites were determined by instrumental analysis and synthetic standards. Most pesticides were rapidly removed from the culture medium in the order of nitrofen > oxyfluorfen > chlomethoxyfen. In general, herbicides were degraded through the initial reduction and N-acetylation of nitro groups, followed by ether bond cleavage. Relatively low concentrations of phenolic and catecholic metabolites throughout the study suggested that these metabolites were rapidly metabolized and incorporated into primary metabolism. These results indicate that strain RW1 has very versatile metabolic activities over a wide range of environmental contaminants.

Children's exposure to polybrominated diphenyl ethers.

NARCIS (Netherlands)

Zuurbier, M.; Leijs, M.; Schoeters, G.; Tusscher, G. Ten; Koppe, J.G.

2006-01-01

Background: Polybrominated biphenyl ethers (PBDEs), a class of brominated flame retardants, are frequently used in consumer products. PBDEs levels in environmental and human samples have increased in recent decades. Children are exposed to PBDEs through diet, mainly through fish, meat and milk.

Preparation and characterization of electrospun poly(phthalazinone ether nitrile ketone) membrane with novel thermally stable properties

Energy Technology Data Exchange (ETDEWEB)

Wang, Gang; Zhang, Hao; Qian, Bingqing [Carbon Research Laboratory, Liaoning Key Lab for Energy Materials and Chemical Engineering, State Key Lab of Fine Chemicals, Dalian University of Technology, Dalian 116024 (China); Wang, Jinyan, E-mail: wangjinyan@dlut.edu.cn [Department of Polymer Science and Materials, Dalian University of Technology, Dalian 116024 (China); Jian, Xigao [Department of Polymer Science and Materials, Dalian University of Technology, Dalian 116024 (China); Qiu, Jieshan, E-mail: jqiu@dlut.edu.cn [Carbon Research Laboratory, Liaoning Key Lab for Energy Materials and Chemical Engineering, State Key Lab of Fine Chemicals, Dalian University of Technology, Dalian 116024 (China)

2015-10-01

Highlights: • Poly (phthalazinone ether nitrile ketone) (PPENK) was used to successfully prepare nanofiber membranes by electrospinning. • Electrospun membrane exhibits a good thermostability. • Electrospun membrane. - Abstract: Electrospun nanofibrous membranes have several applications because of their excellent properties, such as high porosity, small fiber diameter, and large surface area. However, high-temperature resistant electrospun membranes remain a challenge because of the absence of precursors that offer spinnability, scalability, and superior thermal stability. In this study, poly(phthalazinone ether nitrile ketone) (PPENK) was used to successfully prepare nanofiber membranes by electrospinning. Electrospun PPENK membranes were characterized by scanning electron microscopy, differential scanning calorimetry, Fourier transform infrared spectroscopy, and tensile stress–strain tests. Results indicated that the prepared electrospun membranes had a very high glass transition temperature, superior chemical resistance, and excellent mechanical strength. These desirable properties broaden their potential application in membranes and treatment of various hot fluid streams without strict temperature control.

Wettability, optical properties and molecular structure of plasma polymerized diethylene glycol dimethyl ether

Energy Technology Data Exchange (ETDEWEB)

Azevedo, T C A M; Algatti, M A; Mota, R P; Honda, R Y; Kayama, M E; Kostov, K G; Fernandes, R S [FEG-DFQ-UNESP, Av. Ariberto Pereira da Cunha 333, 12516-410 - Guaratingueta, SP (Brazil); Cruz, N C; Rangel, E C, E-mail: algatti@feg.unesp.b [UNESP, Avenida Tres de Marco, 511, 18087-180 Sorocaba, SP (Brazil)

2009-05-01

Modern industry has frequently employed ethylene glycol ethers as monomers in plasma polymerization process to produce different types of coatings. In this work we used a stainless steel plasma reactor to grow thin polymeric films from low pressure RF excited plasma of diethylene glycol dimethyl ether. Plasmas were generated at 5W RF power in the range of 16 Pa to 60 Pa. The molecular structure of plasma polymerized films and their optical properties were analyzed by Fourier Transform Infrared Spectroscopy (FTIR) and Ultraviolet-Visible Spectroscopy, respectively. The IR spectra show C-H stretching at 3000-2900 cm{sup -1}, C=O stretching at 1730-1650 cm{sup -1}, C-H bending at 1440-1380 cm{sup -1}, C-O and C-O-C stretching at 1200-1000 cm{sup -1}. The refraction index was around 1.5 and the optical gap calculated from absorption coefficient presented value near 3.8 eV. Water contact angle of the films ranged from 40 deg. to 35 deg. with corresponding surface energy from 66 to 73x10{sup -7} J. Because of its favorable optical and hydrophilic characteristics these films can be used in ophthalmic industries as glass lenses coatings.

Mechanical properties and chemical stability of pivalolactone-based poly(ether ester)s

NARCIS (Netherlands)

Tijsma, E.J.; Tijsma, E.J.; van der Does, L.; Bantjes, A.; Bantjes, A.; Vulic, I.

1994-01-01

The processing, mechanical and chemical properties of poly(ether ester)s, prepared from pivalolactone (PVL), 1,4-butanediol (4G) and dimethyl terephthalate (DMT), were studied. The poly(ether ester)s could easily be processed by injection moulding, owing to their favourable rheological and thermal

Investigation into organic boron compounds complexing. 25. Triaryl borane complexes with benzimidazole

Energy Technology Data Exchange (ETDEWEB)

Belonovich, M I; Lapkin, I I; Morozova, T L; Okatysheva, L Yu; Rybakova, M N; Yuzhakova, G A [Permskij Gosudarstvennyj Univ. (USSR)

1984-02-01

Coordination of organic boron compounds with heterocyclic ligands is studied. Substances containing one molecule of ligand per one molecule of triarylborane are extracted when mixing ether solution of triarylborane and alcohol solution of benzimidazole. Based on IR spectra it is stated that coordination with boron is realized at the expense of pyridine nitrogen atom of imidazole cycle. Dipole momenta are determined for synthesized complexes using Debye method.

Flourimetric and prototropic studies on the inclusion complexation of 2-amino and 4-aminodiphenyl ethers with {beta}-cyclodextrin: Unusual behavior of 4-aminodiphenyl ether

Energy Technology Data Exchange (ETDEWEB)

Enoch, Israel V. Muthu Vijayan [Department of Chemistry, Annamalai University, Annamalainagar 608 002, Tamil Nadu (India); Swaminathan, Meenakshisundaram [Department of Chemistry, Annamalai University, Annamalainagar 608 002, Tamil Nadu (India)], E-mail: chemsam@yahoo.com

2007-12-15

The fluorescence characteristics of diphenyl ether (DPE), 2-aminodiphenyl ether (2ADPE) and 4-aminodiphenyl ether (4ADPE) and prototropic behavior of 2ADPE and 4ADPE on inclusion complexation with {beta}-cyclodextrin have been investigated. DPE forms 1:1 complex whereas 2ADPE and 4ADPE form 1:2 complex with {beta}-CDx. The fluorimetric and prototropic behaviors of 4ADPE in {beta}-CDx are different from those in aqueous solution. The dual fluorescence of 4ADPE in {beta}-CDx is found to be due to twisted intramolecular charge transfer (TICT) character induced by inclusion complexation. The two equilibria viz. monocation{r_reversible}monocation solvent exciplex{r_reversible}neutral reported for 4ADPE in aqueous solution are not observed in presence of {beta}-CDx. The ground and excited state pK{sub a} values for monocation-neutral equilibrium of 2ADPE and 4ADPE have been reported.

Cloud Point Extraction and Determination of Silver Ion in Real Sample using Bis((1H-benzo[d ]imidazol-2ylmethylsulfane

Directory of Open Access Journals (Sweden)

Farshid Ahmadi

2011-01-01

Full Text Available Bis((1H-benzo[d]imidazol-2ylmethylsulfane (BHIS was used as a complexing agent in cloud point extraction for the first time and applied for selective pre-concentration of trace amounts of silver. The method is based on the extraction of silver at pH 8.0 by using non-ionic surfactant T-X114 and bis((1H-benzo[d]imidazol-2ylmethylsulfane as a chelating agent. The adopted concentrations for BHIS, Triton X-114 and HNO3, bath temperature, centrifuge rate and time were optimized. Detection limits (3SDb/m of 1.7 along with enrichment factor of 39 for silver ion was achieved. The high efficiency of cloud point extraction to carry out the determination of analytes in complex matrices was demonstrated. The proposed method was successfully applied to the ultra-trace determination of silver in real samples.

High Resolution Rotational Spectroscopy of a Flexible Cyclic Ether

Science.gov (United States)

Gámez, F.; Martínez-Haya, B.; Blanco, S.; López, J. C.; Alonso, J. L.

2011-06-01

Crown ethers stand as one cornerstone molecular class inhost-guest Supramolecular Chemistry and constitute building blocks for a broad range of modern materials. We report here the first high resolution rotational study of a crown ether: 1,4,7,10,13-pentaoxacyclopentadecane (15-crown-5 ether,15c5). Molecular beam Fourier transform microwave spectroscopy has been employed. The liquid sample of 15c5 has been vaporized using heating methods. The considerable size of 15c5 and the broad range of conformations allowed by the flexibility of its backbone pose important challenges to spectroscopy approaches. In fact, the ab-initio computational study for isolated 15c5, yields at least six stable conformers with relative free energies within 2 kJ Mol-1 (167 Cm-1). Nevertheless, in this investigation it has been possible to identify and characterize in detail one stable rotamer of the 15c5 molecule and to challenge different quantum methods for the accurate description of this system. The results pave the ground for an extensive description of the conformational landscape of 15c5 and related cyclic ethers in the near term. J. L. Alonso, F. J. Lorenzo, J. C. López, A. Lesarri, S. Mata and H. Dreizler, Chem. Phys., 218, 267 (1997) S. Blanco, J.C López, J.L. Alonso, P. Ottaviani, W. Caminati, J. Chem. Phys. 119, 880 (2003) S.E. Hill, D. Feller, Int. J. Mass Spectrom. 201, 41 (2000)

Interaction of thrombocytes with poly(ether imide): The influence of processing.

Science.gov (United States)

Braune, S; Lange, M; Richau, K; Lützow, K; Weigel, T; Jung, F; Lendlein, A

2010-01-01

The processing of polymers for blood contacting devices can have a major influence on surface properties. In this study, we fabricated poly(ether imide) (PEI) membranes and films to investigate the effects of the processing on physicochemical surface properties by atomic force microscopy (AFM), scanning electron microscopy, contact angle as well as zeta potential measurements. A static platelet adhesion test was performed to analyze the thrombogenicity of both devices. While contact angle measurements showed similar levels of hydrophobicity and zeta potential values were equivalent, mean surface roughness as well as surface energies in the dispersive part were found to be increased for the PEI membrane. The static platelet adhesion test showed a significantly decreased number of adherent platelets per surface area on the PEI film (178.98 ± 102.70/45000 μm2) compared to the PEI membrane (504 ± 314.27/45000μm2) and, consequently, revealed evidence for higher thrombogenicity of the PEI membrane. This study shows that processing can have a significant effect on platelet adhesion to biomaterials, even though, molar weight was identical. Thrombogenicity of polymer-based cardiovascular devices, therefore, have to be evaluated at the final product level, following the entire processing procedure.

Solvent Effects on Cesium Complexation with Crown Ethers from Liquid to Supercritical Fluids

International Nuclear Information System (INIS)

Wai, Chien M.; Rustenholtz, Anne; Wang, Shaofen; Lee, Su-Chen; Herman, Jamie; Porter, Richard A.

2004-01-01

Nuclear magnetic resonance (NMR) techniques were used to study crown ether-water interactions in solvents of low dielectric constants such as chloroform and carbon tetrachloride. Water forms a 1:1 complex with a number of crown ethers including 12-crown-4, 15-crown-5, 18-crown-6, dicyclohexano-18=crown-6, dicyclohexano-24-crown 8, and dibenzl-24-crown-8 in chloroform. Among these crown ethers, the 18-crown-6-H2 complex has the largest equilibrium constant (K=545) and 97% of the crown is complexed to water in chloroform. Addition of carbon tetrachloride to chloroform lowers the equilibrium constants of the crown-water complexes. The partition coefficients of crown ethers (D=crown in water/crown in solvent) between water and organic solvent also vary with solvent composition

Determination of imidazole derivatives by micellar electrokinetic chromatography combined with solid-phase microextraction using activated carbon-polymer monolith as adsorbent.

Science.gov (United States)

Shih, Yung-Han; Lirio, Stephen; Li, Chih-Keng; Liu, Wan-Ling; Huang, Hsi-Ya

2016-01-08

In this study, an effective method for the separation of imidazole derivatives 2-methylimidazole (2-MEI), 4- methylimidazole (4-MEI) and 2-acetyl-4-tetrahydroxybutylimidazole (THI) in caramel colors using cation-selective exhaustive injection and sweeping micellar electrokinetic chromatography (CSEI-sweeping-MEKC) was developed. The limits of detection (LOD) and quantitation (LOQ) for the CSEI-sweeping-MEKC method were in the range of 4.3-80μgL(-1) and 14-270μgL(-1), respectively. Meanwhile, a rapid fabrication activated carbon-polymer (AC-polymer) monolithic column as adsorbent for solid-phase microextraction (SPME) of imidazole colors was developed. Under the optimized SPME condition, the extraction recoveries for intra-day, inter-day and column-to-column were in the range of 84.5-95.1% (<6.3% RSDs), 85.6-96.1% (<4.9% RSDs), and 81.3-96.1% (<7.1% RSDs), respectively. The LODs and LOQs of AC-polymer monolithic column combined with CSEI-sweeping-MEKC method were in the range of 33.4-60.4μgL(-1) and 111.7-201.2μgL(-1), respectively. The use of AC-polymer as SPME adsorbent demonstrated the reduction of matrix effect in food samples such as soft drink and alcoholic beverage thereby benefiting successful determination of trace-level caramel colors residues using CSEI-sweeping-MEKC method. The developed AC-polymer monolithic column can be reused for more than 30 times without any significant loss in the extraction recovery for imidazole derivatives. Copyright © 2015 Elsevier B.V. All rights reserved.

Radiation-induced glycoside bond breaking in cellulose methyl ethers

International Nuclear Information System (INIS)

Petryaev, E.P.; Boltromeyuk, V.V.; Kovalenko, N.I.; Shadyro, O.I.

1988-01-01

Radiation-induced destruction of cellulose methyl ethers of different degree of esterification in aqueous solutions with and without acceptors: (N 2 O, O 2 , H 2 O + , Co(2), Cu(2)) is investigated. It is established that OH radicals make main contribution into radiolytic transformations of cellulose ethers in aqueous solutions. Reactions of radicals with free valency on carbon atoms containing secondary nonsubstituted hydroxyl groups lead also to glycoside bond breaking besides the reaction of β-fragmentation and hydrolysis of radicals with an unpaired electron localized near C 1 , C 4 , C 5 aroms

Tuning the crystal morphology and size of zeolitic imidazolate framework-8 in aqueous solution by surfactants

KAUST Repository

Pan, Yichang

2011-01-01

Herein we report a facile synthesis method using surfactant cetyltrimethylammonium bromide (CTAB) as a capping agent for controlling the crystal size and morphology of zeolitic imidazolate framework-8 (ZIF-8) crystals in aqueous systems. The particle sizes can be precisely adjusted from ca. 100 nm to 4 μm, and the morphology can be changed from truncated cubic to rhombic dodecahedron. This journal is © The Royal Society of Chemistry.

Oxime Ethers of (E)-11-Isonitrosostrychnine as Highly Potent Glycine Receptor Antagonists

DEFF Research Database (Denmark)

Mohsen, Amal M Y; Mandour, Yasmine M; Sarukhanyan, Edita

2016-01-01

of the crystal structure of the α3 glycine receptor indicated the same orientation of the strychnine core for all analogues. For the most potent oxime ethers, the ether substituent was accommodated in a lipophilic receptor binding pocket. The findings identify the oxime hydroxy group as a suitable attachment...

Chemical structure, network topology, and porosity effects on the mechanical properties of Zeolitic Imidazolate Frameworks

OpenAIRE

Tan, J. C.; Bennett, T. D.; Cheetham, A. K.

2010-01-01

The mechanical properties of seven zeolitic imidazolate frameworks (ZIFs) based on five unique network topologies have been systematically characterized by single-crystal nanoindentation studies. We demonstrate that the elastic properties of ZIF crystal structures are strongly correlated to the framework density and the underlying porosity. For the systems considered here, the elastic modulus was found to range from 3 to 10 GPa, whereas the hardness property lies between 300 MPa and 1.1 GPa. ...

Tioconazole, a new imidazole-antifungal agent for the treatment of dermatomycoses. Antifungal and pharmacologic properties.

Science.gov (United States)

Marriott, M S; Baird, J R; Brammer, K W; Faulkner, J K; Halliwell, G; Jevons, S; Tarbit, M H

1983-01-01

Tioconazole is a new imidazole antifungal agent with broad-spectrum activity. Its in vitro activity against common dermal pathogens is generally better than miconazole by a factor of 2-8. This activity is paralleled by good topical efficacy in a guinea pig dermatomycosis model. Pharmacokinetic studies in animals have demonstrated minimal systemic exposure following dermal application. Acute general pharmacology studies have shown that the compound is well tolerated in animals and unlikely to produce side-effects in man.

Nickel-catalyzed direct synthesis of dialkoxymethane ethers

Indian Academy of Sciences (India)

MURUGAN SUBARAMANIAN

Nickel catalysis; alcohol; paraformaldehyde; ether; solvent-free condition. 1. Introduction ..... oxidation and Dopamine Release with Protective Effects. Against Central ... P, Ghosh A, Saha R and Saha B 2016 A Review on the. Advancement of ...

Polyether ether ketone implants achieve increased bone fusion when coated with nano-sized hydroxyapatite

DEFF Research Database (Denmark)

Johansson, Pär; Jimbo, Ryo; Naito, Yoshihito

2016-01-01

Polyether ether ketone (PEEK) possesses excellent mechanical properties similar to those of human bone and is considered the best alternative material other than titanium for orthopedic spine and trauma implants. However, the deficient osteogenic properties and the bioinertness of PEEK limit its...... fields of application. The aim of this study was to limit these drawbacks by coating the surface of PEEK with nano-scaled hydroxyapatite (HA) minerals. In the study, the biological response to PEEK, with and without HA coating, was investigated. Twenty-four screw-like and apically perforated implants...

Reproductive Effects of Two Polybrominated Diphenyl Ethers on the Rotifer Brachionus plicatilis.

Science.gov (United States)

Zhang, Jing; Wang, You; Zhou, Bin; Sun, Kai-Ming; Tang, Xuexi

2016-08-01

The effects of two polybrominated diphenyl ethers (PBDEs) on the reproduction of the rotifer Brachionus plicatilis were investigated. Results showed that sexual maturation was promoted by tetra-brominated diphenyl ether-47 (BDE-47) and deca-brominated diphenyl ether-209 (BDE-209), whereas fecundity was inhibited by BDE-47, but promoted by BDE-209. Additionally, both PBDEs affected the expression of two genes, vasa and nanos mRNA, related to rotifer reproduction. This suggests a possible regulatory molecular mechanism at the transcriptional level. Our research extends the current knowledge of the ecotoxicological mechanism induced by PBDEs and provides further essential information for assessing the risks of PBDE contamination in marine ecosystems.

Amended final report on the safety assessment of PPG-40 butyl ether with an addendum to include PPG-2, -4, -5, -9, -12, -14, -15, -16, -17, -18, -20, -22, -24, -26, -30, -33, -52, and -53 butyl ethers.

Science.gov (United States)

Lanigan, R S

2001-01-01

The Polypropylene Glycol (PPG) Butyl Ethers function as skinand hair-conditioning agents in cosmetics. Intestinal absorption of the PPG Butyl Ethers was inversely proportional to the molecular weight. In general, the toxicity of the PPG Butyl Ethers decreased as the molecular weight increased. In acute studies, moderate intraperitoneal (IP) doses of various PPG Butyl Ethers caused convulsive seizures in mice and anesthetized dogs, and large oral doses caused decreased activity, anuria, renal tubular swelling and necrosis, and hepatic swelling and necrosis. PPG-2 Butyl Ether vapors were nontoxic by the inhalation route. PPG-2 Butyl Ether was nontoxic in short-term feeding and dermal exposure studies in rats. In animal irritation studies, PPG-2 Butyl Ether caused minor, transient erythema and desquamation; in addition, erythema, edema, ecchymosis, necrosis, and other changes were observed during an acute percutaneous study. PPG-2 Butyl Ether also caused minor to moderate conjunctival irritation and minor corneal injury. PPG-2 Butyl Ether when dermally applied was nontoxic to pregnant rats and was nonteratogenic at doses up to 1.0 ml/kg/day. PPG BE800 at concentrations of 0.001% to 0.26% in feed was noncarcinogenic to rats after 2 years of treatment. In clinical studies, PPG BE800 was nonirritating and nonsensitizing to the skin when tested using 200 subjects. PPG-40 Butyl Ether was neither an irritant nor a sensitizer in a repeat-insult patch test using 112 subjects. Although clinical testing did not indicate significant skin irritation is produced by these ingredients, the animal test data did indicate the potential that these ingredients can be irritating. Therefore, it was concluded that the PPG Butyl Ethers can be used safely in cosmetic products if they are formulated to avoid irritation. Data on the component ingredients, Propylene Glycol, PPG, and n-Butyl Alcohol, from previous cosmetic ingredient safety assessments were also considered and found to support

Ether-Directed ortho-C–H Olefination with a PdII/MPAA Catalyst**

Science.gov (United States)

Li, Gang; Leow, Dasheng; Wan, Li; Yu, Jin-Quan

2013-01-01

Weak coordination is powerful! A PdII-catalyzed olefination of ortho-C–H bonds of arenes directed by weakly coordinating ethers is developed using mono-protected amino acid (MPAA) ligands. This finding provides a method for chemically modifying ethers, which are abundant in natural products and drug molecules. PMID:23239120

Photolytic degradation of polybromodiphenyl ethers under UV-lamp and solar irradiations

Energy Technology Data Exchange (ETDEWEB)

Shih, Yang-hsin, E-mail: yhs@nchu.edu.tw [Department of Soil and Environmental Sciences, National Chung Hsing University, Taichung 402, Taiwan (China); Wang, Chun-Kang [Department of Soil and Environmental Sciences, National Chung Hsing University, Taichung 402, Taiwan (China)

2009-06-15

Polybromodiphenyl ethers (PBDEs) are widely used flame retardant additives and have been mainly used in polymers for many plastic and electronic products. PBDEs have been found to bioaccumulate in both aquatic and terrestrial ecosystems and even human bodies. The technical product with the highest use is decabrominated diphenyl ether (BDE-209). Therefore, we chose to examine the solar and UV-lamp degradation of BDE-209. A linear increase of the photodegradation rate constant for BDE-209 was observed with the solar light intensity. The degradation reactions follow the pseudo-first-order kinetics. The photodegradation of BDE-209 produced other less brominated diphenyl ethers under ultraviolet light exposure, suggesting that the photodegradation of BDE-209 is a sequential dehalogenation mechanism. BDE-209 underwent rapid reductive debromination in these photodecomposition experiments. The formation rate constants of three nonabromodiphenyl ethers increase with the order of BDE-206, BDE-207 and BDE-208, indicating debromination mainly occurred at para > meta > ortho positions. These findings of the process properties and reductive debromination mechanism of the photolytic degradation of PBDEs can facilitate the design of remediation processes and also aid in predicting their fate in the environment.

Hydrolysis of strained bridgehead bicyclic vinyl ethers and sulfides

International Nuclear Information System (INIS)

Chwang, W.K.; Kresge, A.J.; Wiseman, J.R.

1979-01-01

Rates of hydrolysis of the bridgehead bicyclic vinyl ether 9-oxabicyclo[3.3.1]non-1-ene(6) and its vinyl sulfide counterpart 9-thiabicyclo[3.3.1]non-1-ene(7), catalyzed by the hydronium ion, were measured in H 2 O and in D 2 O solution. These data give isotope effects, k/sub H//k/sub D/ = 2.4 and 1.9 respectively, which show that these reactions occur by the normal, rate-determining carbon protonation, mechanism. The vinyl ether 6 is less reactive than its olefin analogue, bicyclo[3.3.1]non-1-ene (relative rate 1:1/1400), as may have been expected for a constrained bicyclic system such as this, where stabilization of the bridgehead carbocation intermediate by conjugation with oxygen is severely impaired. The vinyl sulfide 7, however, is even less reactive than the vinyl ether (relative rates 1:1/140); this is a remarkable result in view of the fact that conjugation between the sulfur atom and the cationic center is presumably also strongly inhibited. 1 figure, 3 tables

Hydrophilization of Poly(ether ether ketone) Films by Surface-initiated Atom Transfer Radical Polymerization

DEFF Research Database (Denmark)

Fristrup, Charlotte Juel; Eskimergen, Rüya; Burkrinsky, J.T.

2008-01-01

and confirmed by ATR FTIR, water contact ang;le, and Thermal Gravimetric Analysis (TGA). The surface topography was evaluated by "Atomic Force Microscopy (AFM). X-ray Photoelectron Spectroscopy (XPS) has been used to investigate the degree of functionalization. The performed modification allowed for successful...

[Visualisation methods for etheric formative forces].

Science.gov (United States)

Burkhard, B; Kittel, R

2009-09-01

Rudolf Steiner, the founder of anthroposophy, suggested the development of visualisation methods for "etheric formative forces". The essential methods, their "spiritual scientific" basis and indications are described and their claims critically tested. The methods are not validated, the key criteria for diagnostic tests (reproducibility, sensitivity, specifity) are not given.

Crystal structure of 2-methyl-1H-imidazol-3-ium hydrogen oxalate dihydrate

Directory of Open Access Journals (Sweden)

Mouhamadou Birame Diop

2016-08-01

Full Text Available Single crystals of the title molecular salt, C4H7N2+·HC2O4−·2H2O, were isolated from the reaction of 2-methyl-1H-imidazole and oxalic acid in a 1:1 molar ratio in water. In the crystal, the cations and anions are positioned alternately along an infinite [010] ribbon and linked together through bifurcated N—H...(O,O hydrogen bonds. The water molecules of crystallization link the chains into (10-1 bilayers, with the methyl groups of the cations organized in an isotactic manner.

Protein Compatible Polymer Brushes on Polymeric Substrates Prepared by Surface-Initiated Transfer Radica Polymerization

DEFF Research Database (Denmark)

Fristrup, Charlotte Juel; Eskimergen, Rüya; Burkrinsky, J.T.

2008-01-01

have been made with model systems of poly(ether ether ketone) (PEEK) films as they can easily be functionalized [1]. Moreover, the inert material polypropylene has successfully beel! activated using a photochemical method [2]. Different polymers including PEG-like matenals have been investigated...... as coating materials. ATR FTIR, water contact angle measurements, Thermal Gravimetric Analysis (TGA), and X-ray Photoelectron Spectroscopy (XPS) confirmed that hydrophilic polymers have been grafted from the surface. The surface topography which was evaluated by Atomic Force Microscopy (AFM) did not change...

Biosynthesis of ether-phospholipids including plasmalogens, peroxisomes and human disease: new insights into an old problem

NARCIS (Netherlands)

Wanders, Ronald J. A.; Brites, Pedro

2010-01-01

Ether-phospholipids represent an important subclass of phospholipids in animal cell membranes characterized by the presence of an ether bond at the sn-I position and the enrichment of PUFAs at the sn-2 position. Of the different ether-phospholipids, plasmalogens are the most abundant form and their

Convenient procedures for the α-metallation of vinylic ethers and thioethers

NARCIS (Netherlands)

Verkruijsse, H.D.; Brandsma, L.; Schleyer, P. von R.

1987-01-01

Ethyl vinyl ether H2C=CHOC2H5 and the analogous cyclic vinylic ethers dehydrofuran and 2,3-dihydropyran can be potassiated at −20°C in the α-position with a 1/1/1 molar mixture of BuLi, t-BuOK and TMEDA in hexane. Methyl vinyl sulfide is potassiated very smoothly by a 1/1 molar mixture of BuLi and

Structure of eight molecular salts assembled from noncovalent bonding between carboxylic acids, imidazole, and benzimidazole

Science.gov (United States)

Jin, Shouwen; Zhang, Huan; Liu, Hui; Wen, Xianhong; Li, Minghui; Wang, Daqi

2015-09-01

Eight organic salts of imidazole/benzimidazole have been prepared with carboxylic acids as 2-methyl-2-phenoxypropanoic acid, α-ketoglutaric acid, 5-nitrosalicylic acid, isophthalic acid, 4-nitro-phthalic acid, and 3,5-dinitrosalicylic acid. The eight crystalline forms reported are proton-transfer compounds of which the crystals and compounds were characterized by X-ray diffraction analysis, IR, mp, and elemental analysis. These structures adopted hetero supramolecular synthons, with the most common R22(7) motif observed at salts 2, 3, 5, 6 and 8. Analysis of the crystal packing of 1-8 suggests that there are extensive strong Nsbnd H⋯O, and Osbnd H⋯O hydrogen bonds (charge assisted or neutral) between acid and imidazolyl components in all of the salts. Except the classical hydrogen bonding interactions, the secondary propagating interactions also play important roles in structure extension. This variety, coupled with the varying geometries and number of acidic groups of the acids utilized, has led to the creation of eight supramolecular arrays with 1D-3D structure. The role of weak and strong noncovalent interactions in the crystal packing is analyzed. The results presented herein indicate that the strength and directionality of the Nsbnd H⋯O, and Osbnd H⋯O hydrogen bonds between acids and imidazole/benzimidazole are sufficient to bring about the formation of organic salts.

Surface-Initiated Atom Transfer Radical Polymerization of Magnetite Nanoparticles with Statistical Poly(tert-butyl acrylate-poly(poly(ethylene glycol methyl ether methacrylate Copolymers

Directory of Open Access Journals (Sweden)

Patcharin Kanhakeaw

2015-01-01

Full Text Available This work presented the surface modification of magnetite nanoparticle (MNP with poly[(t-butyl acrylate-stat-(poly(ethylene glycol methyl ether methacrylate] copolymers (P[(t-BA-stat-PEGMA] via a surface-initiated “grafting from” atom transfer radical polymerization (ATRP. Loading molar ratio of t-BA to PEGMA was systematically varied (100 : 0, 75 : 25, 50 : 50, and 25 : 75, resp. such that the degree of hydrophilicity of the copolymers, affecting the particle dispersibility in water, can be fine-tuned. The reaction progress in each step of the synthesis was monitored via Fourier transform infrared spectroscopy (FTIR. The studies in the reaction kinetics indicated that PEGMA had higher reactivity than that of t-BA in the copolymerizations. Gel permeation chromatography (GPC indicated that the molecular weights of the copolymers increased with the increase of the monomer conversion. Transmission electron microscopy (TEM revealed that the particles were spherical with averaged size of 8.1 nm in diameter. Dispersibility of the particles in water was apparently improved when the copolymers were coated as compared to P(t-BA homopolymer coating. The percentages of MNP and the copolymer in the composites were determined via thermogravimetric analysis (TGA and their magnetic properties were investigated via vibrating sample magnetometry (VSM.

Bromidotetra?kis?(1H-2-ethyl-5-methyl?imidazole-?N 3)copper(II) bromide

OpenAIRE

Godlewska, Sylwia; Baranowska, Katarzyna; Socha, Joanna; Do??ga, Anna

2011-01-01

The CuII ion in the title compound, [CuBr(C6H10N2)4]Br, is coordinated in a square-based-pyramidal geometry by the N atoms of four imidazole ligands and a bromide anion in the apical site. Both the CuII and Br− atoms lie on a crystallographic fourfold axis. In the crystal, the [CuBr(C6H10N2)4]+ complex cations are linked to the uncoordinated Br− anions (site symmetry overline{4}) by N—H...Br hydrogen bonds, generating a three-dimensional network. The ethyl group ...

Syntheses and structure characterization of ten acid-base hybrid crystals based on imidazole derivatives and mineral acids

Science.gov (United States)

Hu, Kaikai; Deng, Bowen; Jin, Shouwen; Ding, Aihua; Jin, Shide; Zhu, Jin; Zhang, Huan; Wang, Daqi

2018-04-01

Cocrystallization of the imidazole derivatives with a series of mineral acids gave a total of ten hybrid salts with the compositions: [(H2bzm)(Cl)2·3H2O] (1), [(H2bzm)(ClO4)2] (2), [(H2bze)(Cl)2·2H2O] (3), [(H2bze)(Br)2·2H2O] (4), [(H2bzp)(Cl)2·4H2O] (5), [(H2bzp)(Br)2·4H2O] (6), (2-(imidazol-1-yl)-1-phenylethanone): (phosphoric acid) [(Himpeta)+(H2PO4)-] (7), [(H2impd)(Br)2] (8), [(H2impd)(ClO4)2] (9), and [(Hbzml)(Cl)] (10). The ten salts have been characterised by X-ray diffraction analysis, IR, and elemental analysis, and the melting points of all the salts were also reported. And their structural and supramolecular aspects are fully analyzed. The result reveals that among the ten investigated crystals the ring N atoms of the imidazole are protonated when the acids are deprotonated, and the crystal packing is interpreted in terms of the strong charge-assisted classical H-bonds between the NH+ and deprotonated acidic groups. Further analysis of the crystal packing of the salts indicated that a different set of additional CHsbnd O, CH2sbnd O, CHsbnd Cl, CH2sbnd Cl, CHsbnd N, CHsbnd Br, CH2sbnd Br, Osbnd O, O-π, Br-π, CH-π, and π-π associations contribute to the stabilization and expansion of the total high-dimensional frameworks. For the coexistence of the various weak nonbonding interactions these structures adopted homo or hetero supramolecular synthons or both. Some classical supramolecular synthons, such as R21(7), R22(7), R22(8), and R42(8), usually observed in the organic solids, were again shown to be involved in constructing some of these H-bonding networks.

Preparation and characterization of diethylene glycol bis(2-aminophenyl) ether-modified glassy carbon electrode

Energy Technology Data Exchange (ETDEWEB)

Isbir, Aybueke A. [Ankara University, Faculty of Science, Department of Chemistry, 06100 Tandogan, Ankara (Turkey); Solak, Ali Osman [Ankara University, Faculty of Science, Department of Chemistry, 06100 Tandogan, Ankara (Turkey)]. E-mail: osolak@science.ankara.edu.tr; Ustuendag, Zafer [Ankara University, Faculty of Science, Department of Chemistry, 06100 Tandogan, Ankara (Turkey); Bilge, Selen [Ankara University, Faculty of Science, Department of Chemistry, 06100 Tandogan, Ankara (Turkey); Kilic, Zeynel [Ankara University, Faculty of Science, Department of Chemistry, 06100 Tandogan, Ankara (Turkey)

2006-07-28

Diethylene glycol bis(2-aminophenyl) ether (DGAE) diazonium salt was covalently electrografted on a glassy carbon (GC) surface and behavior of this novel surface was investigated. Synthesis of DGAE diazonium salt (DGAE-DAS) and in situ modification of GC electrode were performed in aqueous media containing NaNO{sub 2}, keeping the temperature below +4 deg. C. For the characterization of the modified electrode surface by cyclic voltammetry, dopamine (DA) was used to prove the attachment of the DGAE-DAS on the GC surface. Raman spectroscopy and electrochemical impedance spectroscopy (EIS) were used to observe the molecular bound properties of the adsorbates at the DGAE-modified GC surface (GC-DGAE). The EIS results were analyzed using the Randles equivalent circuit. The charge transfer resistance on bare GC and the modified surface were calculated using the model equivalent circuit for the ferrocene redox system. Surface coverage was found as 0.4 showing the presence of high pinhole and defects in the modified electrode. The rate constant of electron transfer through the monolayer was calculated for ferrocene. Working potential range and the stability of the DGAE-modified GC electrode was also determined.

Preparation and characterization of diethylene glycol bis(2-aminophenyl) ether-modified glassy carbon electrode

International Nuclear Information System (INIS)

Isbir, Aybueke A.; Solak, Ali Osman; Ustuendag, Zafer; Bilge, Selen; Kilic, Zeynel

2006-01-01

Diethylene glycol bis(2-aminophenyl) ether (DGAE) diazonium salt was covalently electrografted on a glassy carbon (GC) surface and behavior of this novel surface was investigated. Synthesis of DGAE diazonium salt (DGAE-DAS) and in situ modification of GC electrode were performed in aqueous media containing NaNO 2 , keeping the temperature below +4 deg. C. For the characterization of the modified electrode surface by cyclic voltammetry, dopamine (DA) was used to prove the attachment of the DGAE-DAS on the GC surface. Raman spectroscopy and electrochemical impedance spectroscopy (EIS) were used to observe the molecular bound properties of the adsorbates at the DGAE-modified GC surface (GC-DGAE). The EIS results were analyzed using the Randles equivalent circuit. The charge transfer resistance on bare GC and the modified surface were calculated using the model equivalent circuit for the ferrocene redox system. Surface coverage was found as 0.4 showing the presence of high pinhole and defects in the modified electrode. The rate constant of electron transfer through the monolayer was calculated for ferrocene. Working potential range and the stability of the DGAE-modified GC electrode was also determined

Glycerol tertiary butyl ethers via etherification of glycerol with isobutene

Energy Technology Data Exchange (ETDEWEB)

Behr, A. [Dortmund Univ. (Germany). Chair of Chemical Process Development/Technical Chemistry A

2007-07-01

Glycerol and isobutene can react to a mixture of glycerol tertiary butyl ethers (GTBE) which can be used as additives for gasoline, diesel or biodiesel. This reaction was investigated in lab scale yielding a proposal for a process flow diagram containing reaction, extraction, flash and rectification units. This process has the advantages that only the suitable higher ethers are formed and that both glycerol and isobutene are fully converted. The homogeneous acid catalyst is low-priced and can be completely recycled. (orig.)

Synthesis of triazole-based and imidazole-based zinc catalysts

Energy Technology Data Exchange (ETDEWEB)

Valdez, Carlos A.; Satcher, Jr., Joe H.; Aines, Roger D.; Baker, Sarah E.

2013-03-12

Various methods and structures of complexes and molecules are described herein related to a zinc-centered catalyst for removing carbon dioxide from atmospheric or aqueous environments. According to one embodiment, a method for creating a tris(triazolyl)pentaerythritol molecule includes contacting a pentaerythritol molecule with a propargyl halide molecule to create a trialkyne molecule, and contacting the trialkyne molecule with an azide molecule to create the tris(triazolyl)pentaerythritol molecule. In another embodiment, a method for creating a tris(imidazolyl)pentaerythritol molecule includes alkylating an imidazole 2-carbaldehyde molecule to create a monoalkylated aldehyde molecule, reducing the monoalkylated aldehyde molecule to create an alcohol molecule, converting the alcohol molecule to create an alkyl halide molecule using thionyl halide, and reacting the alkyl halide molecule with a pentaerythritol molecule to create a tris(imidazolyl)pentaerythritol molecule. In another embodiment, zinc is bound to the tris(triazolyl)pentaerythritol molecule to create a zinc-centered tris(triazolyl)pentaerythritol catalyst for removing carbon dioxide from atmospheric or aqueous environments.

Synthesis and XRD, FT-IR vibrational, UV-vis, and nonlinear optical exploration of novel tetra substituted imidazole derivatives: A synergistic experimental-computational analysis

Science.gov (United States)

Ahmad, Muhammad Saeed; Khalid, Muhammad; Shaheen, Muhammad Ashraf; Tahir, Muhammad Nawaz; Khan, Muhammad Usman; Braga, Ataualpa Albert Carmo; Shad, Hazoor Ahmad

2018-04-01

Heterocyclic compounds have potential applications in many fields of life. We synthesized novel tetra substituted imidazoles by four-component condensation of benzil, substituted aldehydes, substituted anilines and ammonium acetate as a source of ammonia and acetic acid as the solvent. Their chemical structures were resolved through X-ray crystallographic and spectroscopic (Fourier transform IR and UV-vis) techniques. In addition to experimental analysis, density functional theory (DFT) calculations at the B3LYP/6-311 + G(d,p) level were performed on 4-bromo-2-(1-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazole-2-yl)phenol (1), 4-bromo-2-(1-(1-naphthalen-yl)-4,5-diphenyl-1H-imidazole-2-yl)phenol (2), and 2-(1-(2-chlorophenyl)-4,5-diphenyl-1-H-imidazole-2-yl)-6-methoxyphenol (3) to obtain the optimized geometry and spectroscopic (Fourier transform IR and UV-vis) and non-linear optical properties. Frontier molecular orbital analysis was performed at the Hartee-Fock/6-311+g(d,p) and DFT/B3LYP/6-311+G(d,p) levels of theory. Natural bond orbital (NBO) and UV-vis spectral analyses were performed at the M06-2X/6-31+G(d,p) and time-dependent DFT/B3LYP/6-311+G(d,p) levels, respectively. Overall, the DFT findings show good agreement with the experimental data. The hyper conjugative interaction network, which is responsible for the stability of compounds 1, 2 and 3 was explored by the NBO approach. The global reactivity parameters were explored with use of the energy of the frontier molecular orbitals. DFT calculations predict the first-order hyperpolarizabilities of compounds 1, 2 and 3 are 294.89 × 10-30, 219.45 × 10-30 and 146.77 × 10-30 esu, respectively. A two-state model was used to describe the non-linear optical properties of the compounds investigated.

Preparation of poly(vinyl alcohol) membranes grafted with N-vinyl imidazole/acrylic acid binary monomers

International Nuclear Information System (INIS)

Ajji, Zaki; Ali, Ali

2006-01-01

Poly(vinyl alcohol) films were grafted with two monomers using gamma radiation, acrylic acid and N-vinyl imidazole. The influence of different parameters on the grafting yield was investigated as: type of solvent and solvent composition, comonomer concentration and composition, addition of mineral acids, and irradiation dose. Water uptake in respect to the grafting yield was also evaluated. The ability of the grafted films to adsorb copper ions was elaborated and discussed for different grafting yields and ph values of the solution. (authors)

Radium separation through complexation by aqueous crown ethers and ion exchange or solvent extraction

Energy Technology Data Exchange (ETDEWEB)

Chiarizia, R.; Dietz, M.L.; Horwitz, E.P. [Argonne National Lab., IL (United States). Chemistry Div.; Burnett, W.C. [Florida State Univ., Tallahassee, FL (United States). Dept. of Oceanography

1997-11-01

The effect of three water-soluble, unsubstituted crown ethers (15-crown-5 (15C5), 18-crown-6 (18C6) and 21-crown-7 (21C7)) on the uptake of Ca, Sr, Ba and Ra cations by a sulfonic acid cation exchange resin, and on the extraction of the same cations by xylene solutions of dinonylnaphthalenesulfonic acid (HDNNS) from aqueous hydrochloric acid solutions has been investigated. The crown ethers enhance the sorption of the larger cations by the ion exchange resin, thereby improving the resin selectivity over calcium, a result of a synergistic interaction between the crown ether and the ionic functional groups of the resin. Similarly, the extraction of the larger alkaline earth cations into xylene by HDNNS is strongly synergized by the presence of the crown ethers in the aqueous phase. Promising results for intra-Group IIa cation separations have been obtained using each of the three crown ethers as the aqueous ligands and the sulfonic acid cation exchange resin. Even greater separation factors for the radium-calcium couple have been measured with the crown-ethers and HDNNS solutions in the solvent extraction mode. The application of the uptake and extraction results to the development of radium separation schemes is discussed and a possible flowchart for the determination of {sup 226}Ra/{sup 228}Ra in natural waters is presented.

[Ether Day--no laughing matter. The birth of modern anaesthesia].

Science.gov (United States)

Goerig, Michael; Wulf, Hinnerk

2013-10-01

Since centuries the first public demonstration of the anaesthetic properties of ether by William Thomas Green Morton at the Massachusetts General Hospital in Boston on October 16th 1846 is celebrated as "Ether Day" world-wide. The news of the beneficial effects, primarily disposed as a "Yankee Invention", spread over all continents quickly. This was the result of an article, published in the Boston Medical and Surgical Journal on November 18th, 1846. It is mentioning worth that this article was written when Morton had disclosed that the used "preparation", later named as "Nostrum" or "Letheon", was sulphuric ether. The important discovery later became a patent case and was overshadowed by a long lasting priority claim. Nevertheless the readers of the New England Journal of Medicine voted in a survey that this article was the most important publication in the 200 years journals history ever. © Georg Thieme Verlag Stuttgart · New York.

Designing of molecular architecture, synthesis and properties of the next generation of state-of-the-art high-performance thermoplastic fluoro-poly(ether amide)s, (6F-PEA), fluoro-poly(ether amide-imide)s (6F-PEAI), and their co-polymers

International Nuclear Information System (INIS)

Vora, Rohitkumar H.

2010-01-01

Graphical abstract: Molecular architectures of next generation of high-performance advanced heat stable thermoplastic polymer compositions of fluoro-poly(ether amide) (6F-PA) and fluoro-poly(ether amide-imide) (6F-PEAI) having di-ether diamines moieties were designed based on fluoro-polyimide (6F-PI) chemistry, and polymers were synthesized using two novel state-of-the-art 2-(3,4'-carboxy anhydrophenyl-2(4-carboxyphenyl) hexafluoropropane (6FTMA) and 2,2'-bis(4-carboxyphenyl) hexafluropropane (6F-DAc) monomers. Their copolymers: fluoro-copoly(ether amide-(ether imide))s (6F-co(PEA-PEI)), fluoro-copoly(ether amide-(ether amide-imide))s (6F-co(PEA-PEAI)) and fluoro-copoly(ether amide-imide-(ether imide))s (6F-co(PEAI-PEI)) were also designed and synthesized using 2,2'-bis(3,4-dicarboxyphenyl) hexafluoropropane dianhydrides (6FDA) for the advanced aerospace, defense and industrial engineering applications. -- Abstract: A new generation of high-performance polymers for the advanced industrial, aerospace and defense engineering applications are being investigated in the academic and industrial research institutions throughout the world. Fluoro-polyimides (6F-PI) are one such sub-class of high-performance polyimide polymers. In the last 25 years a number of fluoro-polyimides have been reported but only a handful of them have been commercialized. This paper describes the 6F-polyimide chemistry-based designed molecular architectures and synthesis of two series of next generation of heat stable thermoplastic polymer compositions having di-ether diamines moieties, such as fluoro-poly(ether amide) (6F-PA) and fluoro-poly(ether amide-imide) (6F-PEAI) using the novel state-of-the-art 2-(3,4'-carboxy anhydrophenyl-2(4-carboxyphenyl) hexafluoropropane (6F-TMA) and 2,2'-bis(4-carboxyphenyl) hexafluoropropane (6F-DAc) monomers. Their co-polymers: fluoro-copoly(ether amide-(ether imide))s (6F-co(PEA-PEI)), fluoro-copoly(ether amide-(ether amide-imide))s (6F-co(PEA-PEAI)) and fluoro-copoly(ether

Bio-functionalisation of polyether ether ketone using plasma immersion ion implantation

Science.gov (United States)

Wakelin, Edgar; Yeo, Giselle; Kondyurin, Alexey; Davies, Michael; McKenzie, David; Weiss, Anthony; Bilek, Marcela

2015-12-01

Plasma immersion ion implantation (PIII) is used here to improve the surface bioactivity of polyether ether ketone (PEEK) by modifying the chemical and mechanical properties and by introducing radicals. Modifications to the chemical and mechanical properties are characterised as a function of ion fluence (proportional to treatment time) to determine the suitability of the treated surfaces for biological applications. Radical generation increases with treatment time, where treatments greater than 400 seconds result in a high concentration of long-lived radicals. Radical reactions are responsible for oxidation of the surface, resulting in a permanent increase in the polar surface energy. The nano-scale reduced modulus was found to increase with treatment time at the surface from 4.4 to 5.2 GPa. The macromolecular Young's modulus was also found to increase, but by an amount corresponding to the volume fraction of the ion implanted region. The treated surface layer exhibited cracking under cyclical loads, associated with an increased modulus due to dehydrogenation and crosslinking, however it did not show any sign of delamination, indicating that the modified layer is well integrated with the substrate - a critical factor for bioactive surface coatings to be used in-vivo. Protein immobilisation on the PIII treated surfaces was found to saturate after 240 seconds of treatment, indicating that there is room to tune surface mechanical properties for specific applications without affecting the protein coverage. Our findings indicate that the modification of the chemical and mechanical properties by PIII treatments as well as the introduction of radicals render PEEK well suited for use in orthopaedic implantable devices.

Laser surface modification of PEEK

Energy Technology Data Exchange (ETDEWEB)

Riveiro, A., E-mail: ariveiro@uvigo.es [Applied Physics Department, University of Vigo ETSII, Lagoas-Marcosende, 9, Vigo 36310 (Spain); Centro Universitario de la Defensa, Escuela Naval Militar, Plaza de Espana 2, 36920 Marin (Spain); Soto, R.; Comesana, R.; Boutinguiza, M.; Val, J. del; Quintero, F.; Lusquinos, F.; Pou, J. [Applied Physics Department, University of Vigo ETSII, Lagoas-Marcosende, 9, Vigo 36310 (Spain)

2012-09-15

Highlights: Black-Right-Pointing-Pointer Role of laser irradiation wavelength on the surface modification of PEEK (polyether-ether-ketone) was investigated. Black-Right-Pointing-Pointer Adequate processing conditions to improve wettability, roughness, and cell adhesion characteristics are determined. Black-Right-Pointing-Pointer A design of experiments (DOE) methodology was performed. Black-Right-Pointing-Pointer UV (355 nm) radiation is the most promising laser radiation for improving the adhesive surface properties of PEEK. - Abstract: Polyether-ether-ketone (PEEK) is a synthetic thermoplastic polymer with excellent mechanical and chemical properties, which make it attractive for the field of reconstructive surgery. Nevertheless, this material has a poor interfacial biocompatibility due to its large chemical stability which induces poor adhesive bonding properties. The possibilities of enhancing the PEEK adhesive properties by laser treatments have been explored in the past. This paper presents a systematic approach to discern the role of laser irradiation wavelength on the surface modification of PEEK under three laser wavelengths ({lambda} = 1064, 532, and 355 nm) with the aim to determine the most adequate processing conditions to increase the roughness and wettability, the main parameters affecting cell adhesion characteristics of implants. Overall results show that the ultraviolet ({lambda} = 355 nm) laser radiation is the most suitable one to enhance surface wettability of PEEK.

Modeling of a Reaction-Distillation-Recycle System to Produce Dimethyl Ether through Methanol Dehydration

Science.gov (United States)

Muharam, Y.; Zulkarnain, L. M.; Wirya, A. S.

2018-03-01

The increase in the dimethyl ether yield through methanol dehydration due to a recycle integration to a reaction-distillation system was studied in this research. A one-dimensional phenomenological model of a methanol dehydration reactor and a shortcut model of distillation columns were used to achieve the aim. Simulation results show that 10.7 moles/s of dimethyl ether is produced in a reaction-distillation system with the reactor length being 4 m, the reactor inlet pressure being 18 atm, the reactor inlet temperature being 533 K, the reactor inlet velocity being 0.408 m/s, and the distillation pressure being 8 atm. The methanol conversion is 90% and the dimethyl ether yield is 48%. The integration of the recycle stream to the system increases the dimethyl ether yield by 8%.

40 CFR 721.6980 - Dimer acids, polymer with polyalkylene glycol, bisphenol A-diglycidyl ether, and alky-lenepolyols...

Science.gov (United States)

2010-07-01

... reporting. (1) The chemical substance dimer acids, polymer with polyalkylene glycol, bisphenol A-diglycidyl... glycol, bisphenol A-diglycidyl ether, and alky-lenepolyols polyglycidyl ethers (generic name). 721.6980... Substances § 721.6980 Dimer acids, polymer with polyalkylene glycol, bisphenol A-diglycidyl ether, and alky...

Assessment of ether and alcohol fuels from coal. Volume 2. Technical report

Energy Technology Data Exchange (ETDEWEB)

1983-03-01

A unique route for the indirect liquefaction of coal to produce transportation fuel has been evaluated. The resultant fuel includes alkyl tertiary alkyl ethers and higher alcohols, all in the gasoline boiling range. When blended into gasoline, the ether fuel provides several advantages over the lower alcohols: (1) lower chemical oxygen content, (2) less-severe water-separation problems, and (3) reduced front-end volatility effects. The ether fuel also has high-octane quality. Further, it can be utilized as a gasoline substitute in all proportions. Production of ether fuel combines several steps, all of which are or have been practiced on an industrial scale: (1) coal gasification, (2) gas cleanup and shift to desired H/sub 2/:CO ratio, (3) conversion of synthesis gas to isobutanol, methanol, and higher alcohols, (4) separation of alcohols, (5) chemical dehydration of isobutanol to isobutylene, and (6) etherification of isobutylene with methanol. A pilot-plant investigation of the isobutanol synthesis step was performed. Estimates of ether-fuel manufacturing costs indicate this process route is significantly more costly than synthesis of methanol. However, the fuel performance features provide incentive for developing the necessary process and catalyst improvements. Co-production of higher-molecular-weight co-solvent alcohols represents a less-drastic form of methanol modification to achieve improvement in the performance of methanol-gasoline blends. Costs were estimated for producing several proportions of methanol plus higher alcohols from coal. Estimated fuel selling price increases regularly but modestly with higher alcohol content.

SYNTHESIS OF ALLYL PHENYL ETHER AND CLAISEN REARRANGEMENT

Directory of Open Access Journals (Sweden)

Gagik Torosyan

2011-12-01

Full Text Available It has been established the possibility for phenol allylation on natural zeolites and them analogs. Here is demonstrated the synthesis of allyl phenol, which has wide industrial applications. The offered method in comparison with the traditional methods has more advantages – higher selectivity, smaller material and power resources consumption. It has been obtained the mixture of allylating phenols (30% in general with allyl phenyl ether (1 with 80% yields. At 600 K is obtained allylphenyl ether, at 700 K beginning the formation of allyl phenols, which is the result of direct C-allylation of the aromatic ring. It has been investigated the possibility of Claisen rearrangement in the same conditions. All of that are established by gas-liquid chromatography and liquid chromatography data.

Ether in Kant and akasa in Prasastapada: Philosophy in comparative perspective

Directory of Open Access Journals (Sweden)

Fernando Tola

2015-02-01

Full Text Available The study of Indian and Western systems of Philosophy reveals many points of thematic and methodological coincidences between them. We have collected a good number of these coincidences in our recent books, where we have included many philosophical texts in Sanskrit and in European languages which contain the expression of astonishing similar ideas and theses. In the present article we add a new instance of coincidence between Indian and Western thought in relation to akasa in India (limited to the Indian philosophical system Vaisesika and ether (Aether or Äther in German in the Opus postumum of Kant. The inexistence of both akasa and ether has been established by Modern Science. Akasa and ether in India and the West, respectively, constitute a notorious example of asrayasiddha, the well-known logical defect considered by Indian Logic.

[Preparation and evaluation of stationary phase of high performance liquid chromatography for the separation of basic solutes].

Science.gov (United States)

Wang, P; Wang, J; Cong, R; Dong, B

1997-05-01

A bonded phase for high performance liquid chromatography (HPLC) has been prepared by the new reaction between silica and silicon ether. The ether was synthesized from alkylchlorosilane and pentane-2,4-dione in the presence of imidazole under inert conditions by using anhydrous tetrahydrofuran as solvent. The bonded phase thus obtained was characterized by elemental analysis, diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy and HPLC evaluation. The carbon content was 9.4% and the surface coverage almost attained 3.0micromol/m2 without end-capping. The silanol absorption peaks of the product cannot be observed from the DRIFT spectrum, which revealed that the silanization reaction proceeded thoroughly. The basic solutes, such as aniline, o-toluidine, p-toluidine, N,N-dimethylaniline and pyridine were used as the probe solutes to examine their interaction with the residual silanols on the surface of the products. No buffer or salt was used in the mobile phase for these experiments. In comparison with an acidic solute, such as, phenol, basic aniline eluted in front of phenol, and the ratio of asymmetry of aniline peak to that of the phenol peak was 1.1. Furthermore the relative k' value of p-toluidine to that of o-toluidine was also 1.1. All the results showed that the stationary phase has better quality and reproducibility and can be used for the separation of basic solutes efficiently.

Selective crystallization of cations with crown ethers; Selektive Kristallisation von Kationen mit Kronenethern

Energy Technology Data Exchange (ETDEWEB)

Heffels, Dennis Egidius

2014-07-04

The aim of this work was to study the selectivity and preferences of the incorporation of differently sized cations in the cavities of various crown ethers and the characterization of the resulting compounds. The coordination preferences of crown ethers with different cavities have long been known, and the impact of other effects on the structure formation have increasingly become the focus of attention. In this work a comparative overview of the coordination preferences depending on various factors was undertaken. The focus was mainly on the variation of the cavity of the crown ether in the presence of differently sized cations. In addition, the effects of the solvent and differently coordinating anions have been investigated. Within the framework of this work, basic coordination preferences could be detected with rare earth nitrates, which are affected particularly by the choice of the solvent. The formation of different types of structures could be controlled by varying the conditions such that the incorporation of the cation in the cavity of the crown ether was influenced and the formation of a particular type of structure can be influenced partly by the choice of solvent. In this case no direct preferences for the incorporation into the cavity of the crown ether in relation to the cation size were observed for rare earth cations. However, the coordination of the crown ether leads in each case - for lanthanides - to rather high coordination numbers. A total of five new rare earth complexes and two structural variants could be observed with crown ethers. In the study of the selectivity of the incorporation into the cavity, known structures were also reproduced and further structures were characterized but the crystal structures not entirely solved. With the use of monovalent cations such as potassium, lithium or silver a total of nine new compounds could be synthesized, while no clear preferences for the incorporation of certain cations were detected. The

Chemical Composition and Cytotoxic Activities of Petroleum Ether ...

African Journals Online (AJOL)

Methods: The composition of petroleum ether extract was analyzed by gas ... acids, sterides, pregnanones, terpenes, alkaloids, alkenes, alcohols, ketones, aldehydes and other compounds. .... and mass spectra with those obtained from the.

Experimental and theoretical investigations on the inhibition of mild steel corrosion in the ground water medium using newly synthesised bipodal and tripodal imidazole derivatives

Energy Technology Data Exchange (ETDEWEB)

Gopi, D., E-mail: dhanaraj_gopi@yahoo.com [Department of Chemistry, Periyar University, Salem 636 011, Tamilnadu (India); Centre for Nanoscience and Nanotechnology, Periyar University, Salem 636 011, Tamilnadu (India); Sherif, El-Sayed M. [Center of Excellence for Research in Engineering Materials (CEREM), Advanced Manufacturing Institute, King Saud University, P.O. Box 800, Al-Riyadh 11421 (Saudi Arabia); Electrochemistry and Corrosion Laboratory, Department of Physical Chemistry, National Research Centre (NRC), Dokki, 12622 Cairo (Egypt); Surendiran, M. [Department of Chemistry, Periyar University, Salem 636 011, Tamilnadu (India); Jothi, M.; Kumaradhas, P. [Department of Physics, Periyar University, Salem 636 011, Tamilnadu (India); Kavitha, L. [Department of Physics, School of Basic and Applied Sciences, Central University of Tamilnadu, Thiruvarur 610 101, Tamilnadu (India)

2014-10-15

Two new imidazole derivatives, namely 1,4-bis(N-imidazolylmethyl)-2-5-dimethoxybenzene (BIDM) and 1,3,5-tris(N-imidazolylmethyl)-2,4,6-trimethoxybenzene (TITM), were synthesised and their effects on the inhibition of mild steel corrosion in ground water medium are reported. The study was carried out using gravimetric and electrochemical techniques in order to determine the corrosion inhibition efficiencies of the bipodal and tripodal structured imidazoles. Further, the quantum chemical calculations using density functional theory (DFT) gave a profound insight into the inhibitory action mechanism of BIDM and TITM and their calculation parameters, such as E{sub HOMO}, E{sub LUMO} and ΔE were in good agreement with the results of the experimental studies. BIDM and TITM exhibited lowest corrosion current densities of circa 7.5 μA cm{sup −2} and 4.1 μAcm{sup −2} at the optimum concentrations of 0.67 and 0.49 mM, respectively. All measurements thus confirmed that both BIDM and TITM behaved as good inhibitors for mild steel corrosion in ground water medium. - Highlights: • Synthesis of new imidazole derivatives-BIDM(bipodal) and TITM(tripodal) inhibitors. • Gravimetric analysis to investigate mild steel corrosion inhibition in ground water. • Electrochemical characterizations to substantiate results of weight loss method. • Quantum studies to analyse the chemical behavior, structure and substituent effect.

Experimental and theoretical investigations on the inhibition of mild steel corrosion in the ground water medium using newly synthesised bipodal and tripodal imidazole derivatives

International Nuclear Information System (INIS)

Gopi, D.; Sherif, El-Sayed M.; Surendiran, M.; Jothi, M.; Kumaradhas, P.; Kavitha, L.

2014-01-01

Two new imidazole derivatives, namely 1,4-bis(N-imidazolylmethyl)-2-5-dimethoxybenzene (BIDM) and 1,3,5-tris(N-imidazolylmethyl)-2,4,6-trimethoxybenzene (TITM), were synthesised and their effects on the inhibition of mild steel corrosion in ground water medium are reported. The study was carried out using gravimetric and electrochemical techniques in order to determine the corrosion inhibition efficiencies of the bipodal and tripodal structured imidazoles. Further, the quantum chemical calculations using density functional theory (DFT) gave a profound insight into the inhibitory action mechanism of BIDM and TITM and their calculation parameters, such as E HOMO , E LUMO and ΔE were in good agreement with the results of the experimental studies. BIDM and TITM exhibited lowest corrosion current densities of circa 7.5 μA cm −2 and 4.1 μAcm −2 at the optimum concentrations of 0.67 and 0.49 mM, respectively. All measurements thus confirmed that both BIDM and TITM behaved as good inhibitors for mild steel corrosion in ground water medium. - Highlights: • Synthesis of new imidazole derivatives-BIDM(bipodal) and TITM(tripodal) inhibitors. • Gravimetric analysis to investigate mild steel corrosion inhibition in ground water. • Electrochemical characterizations to substantiate results of weight loss method. • Quantum studies to analyse the chemical behavior, structure and substituent effect

Photodegradation of poly(ether sulphone). Part 2

DEFF Research Database (Denmark)

Norrman, K.; Krebs, Frederik C

2004-01-01

The photodegradation of poly(ether sulphone) (PES) was investigated systematically by time-of-flight SIMS (ToF-SIMS) and x-ray photoelectron spectroscopy (XPS). The effect of varying the irradiation dose, wavelength and the atmosphere was studied along with mechanistic photooxidation studies using...

40 CFR 721.7000 - Polymer of disodium maleate, allyl ether, and ethylene oxide.

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Polymer of disodium maleate, allyl... New Uses for Specific Chemical Substances § 721.7000 Polymer of disodium maleate, allyl ether, and... substance identified generically as a polymer of disodium maleate, allyl ether, and ethylene oxide (P-91...

Gold-catalyzed intermolecular coupling of sulfonylacetylene with allyl ethers: [3,3]- and [1,3]-rearrangements

Directory of Open Access Journals (Sweden)

Jungho Jun

2013-08-01

Full Text Available Gold-catalyzed intermolecular couplings of sulfonylacetylenes with allyl ethers are reported. A cooperative polarization of alkynes both by a gold catalyst and a sulfonyl substituent resulted in an efficient intermolecular tandem carboalkoxylation. Reactions of linear allyl ethers are consistent with the [3,3]-sigmatropic rearrangement mechanism, while those of branched allyl ethers provided [3,3]- and [1,3]-rearrangement products through the formation of a tight ion–dipole pair.

Evaluation of hepatic biotransformation of polybrominated diphenyl ethers in the polar bear (Ursus maritimus).

Science.gov (United States)

Krieger, Lisa K; Szeitz, András; Bandiera, Stelvio M

2016-03-01

Polar bears are at the top of the Arctic marine food chain and are subject to exposure and bioaccumulation of environmental chemicals of concern such as polybrominated diphenyl ethers (PBDEs), which were widely used as flame retardants. The aim of the present study was to evaluate the in vitro oxidative metabolism of 2,2',4,4'-tetrabrominated diphenyl ether (BDE-47) and 2,2',4,4',5-pentabrominated diphenyl ether (BDE-99) by polar bear liver microsomes. The identification and quantification of the hydroxy-brominated diphenyl ethers formed were assessed using an ultra-high performance liquid chromatography-tandem mass spectrometry-based method. Incubation of BDE-47 with archived individual liver microsomes, prepared from fifteen polar bears from northern Canada, produced a total of eleven hydroxylated metabolites, eight of which were identified using authentic standards. The major metabolites were 4'-hydroxy-2,2',4,5'-tetrabromodiphenyl ether and 5'-hydroxy-2,2',4,4'-tetrabromodiphenyl ether. Incubation of BDE-99 with polar bear liver microsomes produced a total of eleven hydroxylated metabolites, seven of which were identified using authentic standards. The major metabolites were 2,4,5-tribromophenol and 4-hydroxy-2,2',3,4',5-pentabromodiphenyl ether. Among the CYP specific antibodies tested, anti-rat CYP2B was found to be the most active in inhibiting the formation of hydroxylated metabolites of both BDE-47 and BDE-99, indicating that CYP2B was the major CYP enzyme involved in the oxidative biotransformation of these two congeners. Our study shows that polar bears are capable of forming multiple hydroxylated metabolites of BDE-47 and BDE-99 in vitro and demonstrates the role of CYP2B in the biotransformation and possibly in the toxicity of BDE-47 and BDE-99 in polar bears. Copyright © 2015 Elsevier Ltd. All rights reserved.

Stress shielding and fatigue limits of poly-ether-ether-ketone dental implants.

Science.gov (United States)

Lee, Woo-Taek; Koak, Jai-Young; Lim, Young-Jun; Kim, Seong-Kyun; Kwon, Ho-Beom; Kim, Myung-Joo

2012-05-01

The poly-ether-ether-ketone (PEEK) polymer is of great interest as an alternative to titanium in orthopedics because of its biocompatibility and low elastic modulus. This study evaluated the fatigue limits of PEEK and the effects of the low elastic modulus PEEK in relation to existing dental implants. Compressive loading tests were performed with glass fiber-reinforced PEEK (GFR-PEEK), carbon fiber-reinforced PEEK (CFR-PEEK), and titanium rods. Among these tests, GFR-PEEK fatigue tests were performed according to ISO 14801. For the finite element analysis, three-dimensional models of dental implants and bone were constructed. The implants in the test groups were coated with a 0.5-mm thick and 5-mm long PEEK layer on the upper intrabony area. The strain energy densities (SED) were calculated, and the bone resorption was predicted. The fatigue limits of GFR-PEEK were 310 N and were higher than the static compressive strength of GFR-PEEK. The bone around PEEK-coated implants showed higher levels of SED than the bone in direct contact with the implants, and the wider diameter and stiffer implants showed lower levels of SED. The compressive strength of the GFR-PEEK and CFR-PEEK implants ranged within the bite force of the anterior and posterior dentitions, respectively, and the PEEK implants showed adequate fatigue limits for replacing the anterior teeth. Dental implants with PEEK coatings and PEEK implants may reduce stress shielding effects. Dental implant application of PEEK polymer-fatigue limit and stress shielding. Copyright © 2012 Wiley Periodicals, Inc.

β–Cyclodextrin–Propyl Sulfonic Acid Catalysed One-Pot Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles as Local Anesthetic Agents

Directory of Open Access Journals (Sweden)

Yan Ran

2015-11-01

Full Text Available Some functionalized 1,2,4,5-tetrasubstituted imidazole derivatives were synthesized using a one-pot, four component reaction involving 1,2-diketones, aryl aldehydes, ammonium acetate and substituted aromatic amines. The synthesis has been efficiently carried out in a solvent free medium using β-cyclodextrin-propyl sulfonic acid as a catalyst to afford the target compounds in excellent yields. The local anesthetic effect of these derivatives was assessed in comparison to lidocaine as a standard using a rabbit corneal and mouse tail anesthesia model. The three most potent promising compounds were subjected to a rat sciatic nerve block assay where they showed considerable local anesthetic activity, along with minimal toxicity. Among the tested analogues, 4-(1-benzyl-4,5-diphenyl-1H-imidazol-2-yl-N,N-dimethylaniline (5g was identified as most potent analogue with minimal toxicity. It was further characterized by a more favourable therapeutic index than the standard.

Isoflurane is a suitable alternative to ether for anesthetizing rats prior to euthanasia for gene expression analysis.

Science.gov (United States)

Nakatsu, Noriyuki; Igarashi, Yoshinobu; Aoshi, Taiki; Hamaguchi, Isao; Saito, Masumichi; Mizukami, Takuo; Momose, Haruka; Ishii, Ken J; Yamada, Hiroshi

2017-01-01

Diethyl ether (ether) had been widely used in Japan for anesthesia, despite its explosive properties and toxicity to both humans and animals. We also had used ether as an anesthetic for euthanizing rats for research in the Toxicogenomics Project (TGP). Because the use of ether for these purposes will likely cease, it is required to select an alternative anesthetic which is validated for consistency with existing TGP data acquired under ether anesthesia. We therefore compared two alternative anesthetic candidates, isoflurane and pentobarbital, with ether in terms of hematological findings, serum biochemical parameters, and gene expressions. As a result, few differences among the three agents were observed. In hematological and serum biochemistry analysis, no significant changes were found. In gene expression analysis, four known genes were extracted as differentially expressed genes in the liver of rats anesthetized with ether, isoflurane, or pentobarbital. However, no significant relationships were detected using gene ontology, pathway, or gene enrichment analyses by DAVID and TargetMine. Surprisingly, although it was expected that the lung would be affected by administration via inhalation, only one differentially expressed gene was extracted in the lung. Taken together, our data indicate that there are no significant differences among ether, isoflurane, and pentobarbital with respect to effects on hematological parameters, serum biochemistry parameters, and gene expression. Based on its smallest affect to existing data and its safety profile for humans and animals, we suggest isoflurane as a suitable alternative anesthetic for use in rat euthanasia in toxicogenomics analysis.

Environment effects on the optical properties of some fluorinated poly(oxadiazole ether)s in binary solvent mixtures

International Nuclear Information System (INIS)

Homocianu, Mihaela; Ipate, Alina Mirela; Hamciuc, Corneliu; Airinei, Anton

2015-01-01

The solvatochromic behavior of some fluorinated poly(oxadiazole ether)s was studied using UV–vis absorption and fluorescence spectroscopy in neat solvents and in their solvent mixtures at several ratios of cosolvents. Quantitative investigations of the spectral changes caused by solvent polarity were discussed using the Lippert‐Mataga, Bakhshiev and Kawski–Chamma–Viallet polarity functions. Repartitioning of cosolvent between local (solvation shell) and bulk phase was investigated by means of a solvatochromic shift method in chloroform–N,N-dimethylformamide (CHCl 3 /DMF) and chloroform–dimethyl sulfoxide (CHCl 3 /DMSO) solvent mixtures. Solvatochromic properties in the binary solvent environments were predominantly influenced by the acidity and basicity of the solvent systems. The fluorescence quenching process by nitrobenzene was characterized by Stern–Volmer plots which display a positive deviation from linearity. This was explained by static and dynamic quenching mechanisms. - Highlights: • Solvatochromic behavior in solvent mixtures was studied. • Stokes shift and local environments in binary mixed solvent were discussed. • Repartitioning of cosolvent between local and bulk phase in solvent mixture has been investigated. • Fluorescence intensity was quenched in presence of nitrobenzene

Optimal conditions in direct dimethyl ether synthesis from syngas utilizing a dual-type fluidized bed reactor

International Nuclear Information System (INIS)

Yousefi, Ahmad; Eslamloueyan, Reza; Kazerooni, Nooshin Moradi

2017-01-01

Concerns over environmental pollution and ever-increasing energy demand have urged the global community to tap clean-burning fuels among which dimethyl ether is a promising candidate for contribution in the transportation sector. Direct dimethyl ether synthesis from syngas, in which methanol production and dehydration take place simultaneously, is arguably the preferred route for large scale production. In this study, direct dimethyl ether synthesis is proposed in an industrial dual-type fluidized bed reactor. This configuration involves two fluidized bed reactors operating in different conditions. In the first catalytic reactor (water-cooled reactor), the synthesis gas is partly converted to methanol after being preheated by the reaction heat in the second reactor (gas-cooled reactor). A two-phase generalized comprehensive reactor model, comprised of the flow in three different regimes is applied and a smooth transition between flow regimes is provided based on the probabilistic averaging approach. The optimal operating conditions are sought by employing differential evolution algorithm as a robust optimization strategy. The dimethyl ether mole fraction is considered as the objective function during the optimization. The results show considerable dimethyl ether enhancement by 16% and 14% compared to the conventional direct dimethyl ether synthesis reactor and dual-type fixed bed dimethyl ether reactor arrangements, respectively. - Highlights: • Dual-type catalytic fluidized bed reactors for dimethyl ether synthesis is studied. • A two-phase comprehensive model comprised of flow in three regimes is used. • Probabilistic averaging approach is applied for smooth transitions between regimes. • Differential evolution method is employed to determine optimal operating conditions. • Production capacity is remarkably enhanced compared to conventional reactor.

Synthesis of Iron Doped Zeolite Imidazolate Framework-8 and Its Remazol Deep Black RGB Dye Adsorption Ability

Directory of Open Access Journals (Sweden)

Mai Thi Thanh

2017-01-01

Full Text Available Zeolite imidazole framework-8 (ZIF-8 and the iron doped ZIF-8 (Fe-ZIF-8 were synthesized by the hydrothermal process. The obtained materials were characteristic of X-ray diffraction (XRD, X-ray photoelectron spectroscopy (XPS, scanning electron microscope (SEM, nitrogen adsorption/desorption isotherms, and atomic absorption spectroscopy (AAS. The results showed that the obtained Fe-ZIF-8 possessed the ZIF-8 structure with a large specific area. ZIF-8 and Fe-ZIF-8 were used for the removal of Remazol Deep Black (RDB RGB dye from aqueous solutions. The various factors affecting adsorption such as pH, initial concentration, contact time, and temperature were investigated. The results showed that the introduction of iron into ZIF-8 provided a much larger adsorption capacity and faster adsorption kinetics than ZIF-8 without iron. The electrostatic interaction and π-π interaction between the aromatic rings of the RDB dye and the aromatic imidazolate rings of the adsorbent were responsible for the RDB adsorption. Moreover, the coordination of the nitrogen atoms and oxygen in carboxyl group in RDB molecules with the Fe2+ ions in the ZIF-8 framework played a vital role for the effective removal of RDB from aqueous solution.

Spatial trends of polybrominated diphenyl ether (PBDE) congeners

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — Spatial trends of polybrominated diphenyl ether (PBDE) congeners were analyzed in young of the year bluefish collected along the U.S. Atlantic coastline from...

Fuel cell performance of pendent methylphenyl sulfonated poly(ether ether ketone ketone)s

Science.gov (United States)

Zhang, Hanyu; Stanis, Ronald J.; Song, Yang; Hu, Wei; Cornelius, Chris J.; Shi, Qiang; Liu, Baijun; Guiver, Michael D.

2017-11-01

Meta- and para-linked homopolymers bearing 3-methylphenyl (Me) pendent groups were postsulfonated to create sulfonated poly(ether ether ketone ketone) (SPEEKK) backbone isomers, which are referred to as Me-p-SPEEKK and Me-m-SPEEKK. Their thermal and oxidative stability, mechanical properties, dimensional stability, methanol permeability, and proton conductivity are characterized. Me-p-SPEEKK and Me-m-SPEEKK proton conductivities at 100 °C are 116 and 173 mS cm-1, respectively. Their methanol permeabilities are 3.3-3.9 × 10-7 cm2 s-1, and dimensional swelling at 100 °C is 16.4-17.5%. Me-p-SPEEKK and Me-m-SPEEKK were fabricated into membrane electrode assemblies (MEAs), and electrochemical properties were evaluated within a direct methanol fuel cell (DMFC) and proton-exchange membrane fuel cell (PEMFC). When O2 is used as the oxidant at 80 °C and 100% RH, the maximum power density of Me-m-SPEEKK reaches 657 mW cm-2, which is higher than those of Nafion 115 (552 mW cm-2). DMFC performance is 85 mW cm-2 at 80 °C with 2.0 M methanol using Me-p-SPEEKK due to its low MeOH crossover. In general, these electrochemical results are comparable to Nafion. These ionomer properties, combined with a potentially less expensive and scalable polymer manufacturing process, may broaden their potential for many practical applications.

Use of imidazole 4,5-dicarboxylic acid in vanadium speciation

International Nuclear Information System (INIS)

Banerjee, D.; Mondal, B.C.; Das, D.; Das, A.K.

2003-01-01

A new resin has been synthesized by fictionalization of polystyrene-divinylbenzene (8 %) with imidazole 4,5-dicarboxylic acid through -N=N- bonding. The resulting resin has been characterized by elemental analysis, thermogravimetric analysis, infrared spectroscopy, hydrogen ion capacity and metal ion capacity. The speciation study of vanadium has been studied by using this resin and the maximum exchange capacity was found to be 0.45 mmol g -1 for V 4+ and that for V 5+ was 1.57 mmol g -1 at pH 3 for both. The eluents malonic acid and sodium hydroxide have been used for the selective separation of vanadium(IV) and vanadium(V) species respectively. The effects of diverse ions on the sorption and recovery of each species have been studied. Finally, the developed method has been applied for the speciation and determination of these two species in natural water samples. (author)

Synthesis of Novel Ether Thionocarbamates and Study on Their Flotation Performance for Chalcopyrite

Directory of Open Access Journals (Sweden)

Gang Zhao

2016-09-01

Full Text Available Novel ether thionocarbamates, O-butoxy isopropyl-N-ethoxycarbonyl thionocarbamate (BIPECTC and O-(2-butoxy-1-methylethoxy isopropyl-N-ethoxycarbonyl thionocarbamate (BMIPECTC, were synthesized in this study. Their collecting efficiencies in the flotation of chalcopyrite were investigated using flotation tests, adsorption measurements, ultraviolet spectra (UV and Fourier transform-infrared spectroscopy (FT-IR and density functional theory (DFT calculations. The synthesized ether thionocarbamates showed better frothing properties than methyl-isobutyl-carbinol (MIBC and stronger affinity to chalcopyrite compared with O-isopropyl-N-ethyl thionocarbamate (IPETC and O-isobutyl-N-ethoxycarbonyl thionocarbamate (IBECTC. UV spectra analysis showed that the ether thionocarbamates react with Cu2+, with the exception of Fe2+, Ni2+, Zn2+ and Pb2+. Additionally, it was further confirmed by FTIR spectra that a chemical reaction occurs between copper ion and BIPECTC and BMIPECTC. The adsorption capacity measurements revealed that chalcopyrite exhibits good adsorption ability for ether thionocarbamates at an approximate pH of 8–10, which agrees with the flotation tests. The quantum chemistry calculation results indicated that the ether thionocarbamates exhibit stronger collecting ability for copper mineral in terms of frontier molecular orbital analysis, binding model simulation with copper ions and the molecular hydrophobicity compared with IPETC and IBECTC. The computational results are in very good agreement with the experimental results.

New aromatic activated dihalides and bisphenol monomers for the preparation of novel poly(arylene ethers)

Science.gov (United States)

Wolfe, James F.

1993-01-01

The goal of this research program was to synthesize a series of unique monomers of type I to be utilized at NASA-Langley in the preparation of new poly(arylene ether ketones), poly(arylene ether ketosulfones), and poly(arylene ether ketophosphine oxides). These A-A and A-B monomer systems, which possess activated aryl halide and/or phenolic end groups, are accessible via condensation reactions of appropriately substituted aryl acetonitrile carbanions with activated aryl dihalides followed by oxidative decyanation.

The action of certain antibiotics and ether on swine enzootic pneumonia.

Science.gov (United States)

Huhn, R G

1971-01-01

The susceptibility of Mycoplasma hyopneumoniae to the action of three antibiotics and diethyl ether was determined. Infected swine were used in an in vivo sensitivity detection system. The parameter of susceptibility was lesion prophylaxis. In vivo, Mycoplasma hyopneumoniae appeared to be resistant to diethyl ether, tylosin tartrate, and erythromycin, but was susceptible to the action of chlortetracycline. Chlortetracycline was effective in preventing the development of lesions when given at levels which would be practical in commercial swine operations.

Surface study of mixtures containing cyclic ethers and isomeric chlorobutanes

International Nuclear Information System (INIS)

Royo, F.M.; Villares, A.; Martin, S.; Giner, B.; Lafuente, C.

2007-01-01

Experimental surface tensions and the corresponding surface tensions deviations for the mixtures containing 1,3-dioxolane or 1,4-dioxane and 1-chlorobutane, 2-chlorobutane, 1-chloro-2-methylpropane or 2-chloro-2-methylpropane, measured with a drop volume tensiometer, are reported at the temperatures of 298.15 K and 313.15 K. The excess surface concentrations of isomeric chlorobutanes are also evaluated using a monolayer model

Nanocomposite Based on Functionalized Gold Nanoparticles and Sulfonated Poly(ether ether ketone Membranes: Synthesis and Characterization

Directory of Open Access Journals (Sweden)

Iole Venditti

2017-03-01

Full Text Available Gold nanoparticles, capped by 3-mercapto propane sulfonate (Au-3MPS, were synthesized inside a swollen sulfonated poly(ether ether ketone membrane (sPEEK. The formation of the Au-3MPS nanoparticles in the swollen sPEEK membrane was observed by spectroscopic and microscopic techniques. The nanocomposite containing the gold nanoparticles grown in the sPEEK membrane, showed the plasmon resonance λmax at about 520 nm, which remained stable over a testing period of three months. The size distribution of the nanoparticles was assessed, and the sPEEK membrane roughness, both before and after the synthesis of nanoparticles, was studied by AFM. The XPS measurements confirm Au-3MPS formation in the sPEEK membrane. Moreover, AFM experiments recorded in fluid allowed the production of images of the Au-3MPS@sPEEK composite in water at different pH levels, achieving a better understanding of the membrane behavior in a water environment; the dynamic hydration process of the Au-3MPS@sPEEK membrane was investigated. These preliminary results suggest that the newly developed nanocomposite membranes could be promising materials for fuel cell applications.

Poly-ethers from Winogradskyella poriferorum: Antifouling potential, time-course study of production and natural abundance

KAUST Repository

Dash, Swagatika

2011-08-01

A sponge-associated bacterium, Winogradskyella poriferorum strain UST030701-295T was cultured up to 100l for extraction of antifouling bioactive compounds. Five poly-ethers were isolated and partially characterized based on nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS); two of them showed inhibitory effects on biofilm formation of marine bacteria and larval settlement of macro-foulers but did not produce any adverse effects on the phenotypes of zebra fish embryos at a concentration of 5μgml -1. The effect of culture duration on the production of the poly-ethers and the bioactivity of the relevant extracts was monitored over a period of 12days. The total crude poly-ether production increased from day 2 to day 5 and the highest bioactivity was observed on day 3. The poly-ethers were found to be localized in the cellular fraction of the extracts, implying their natural occurrence. The potent bioactivity of these poly-ethers together with their high natural abundance in bacteria makes them promising candidates as ingredients in antifouling applications. © 2011 Elsevier Ltd.

Investigation on the adsorption characteristics of anserine on the surface of colloidal silver nanoparticles.

Science.gov (United States)

Thomas, S; Maiti, N; Mukherjee, T; Kapoor, S

2013-08-01

The surface-enhanced Raman scattering (SERS) studies of anserine (beta-alanyl-N-methylhistidine) was carried out on colloidal silver nanoparticles to understand its adsorption characteristics. The experimentally observed Raman bands were assigned based on the results of DFT calculations. The studies suggest that the interaction of anserine is primarily through the carboxylate group with the imidazole ring in an upright position with respect to the silver surface. Concentration dependent SERS studies suggest a change in orientation at sub-monolayer concentration. Copyright © 2013 Elsevier B.V. All rights reserved.

Surface modification of polysulfone membranes applied for a membrane reactor with immobilized alcohol dehydrogenase

DEFF Research Database (Denmark)

Hoffmann, Christian; Silau, Harald; Pinelo, Manuel

2018-01-01

activated by lithiation followed by functionalization with acid chlorides at 0 °C, permitting modification of commercial PSf membranes without compromising the mechanical integrity of the membrane. Post-functionalization polymer grafting was illustrated through both, a “grafting from” approach by surface...... initiated atom transfer radical polymerization (SI-ATRP) and by a “grafting to” approach exploiting Cu(I) catalyzed 1,3-cycloadditions of alkynes with azides (CuAAC) introducing hydrophilic polymers onto the membrane surface. Poly(1-vinyl imidazole) (pVim) grafted membranes were exploited as support...

Synthesis of hydroxylated and methoxylated polybrominated diphenyl ethers

Institute of Scientific and Technical Information of China (English)

ZHENG Ke-wen; GAO Li-ping; CAO Jie; YU Hai-wen; ZHANG Zhang

2009-01-01

Hydroxylated/methoxylated polybrominated diphenyl ethers (OH/MeO-PBDEs) are not only detected as natural products, but also regarded as metabolites formed from polybrominated diphenyl ethers (PBDEs), which are widely used as flame-retardants in various materials. The aim of the present study was to synthesize authentic OH-PBDEs and MeO-PBDEs, as reference standards for environmental exploration. Twenty OH-PBDEs and their corresponding MeO-PBDEs containing three to six bromine atoms were synthesized via a trial of reactions including coupling, oxidation, bromination, methylation, etc. The products were characterized by GC-MS and 1H-NMR spectroscopy in the work. As results show, all compounds synthesized were up to 99% on purity and be reqarded as authentic standards for detecting the chemical pollutants in the emvironment.

Degradation of the Alternaria mycotoxins alternariol, alternariol monomethyl ether, and altenuene upon bread baking.

Science.gov (United States)

Siegel, David; Feist, Michael; Proske, Matthias; Koch, Matthias; Nehls, Irene

2010-09-08

The stability of the Alternaria mycotoxins alternariol, alternariol monomethyl ether, and altenuene upon bread baking was investigated by model experiments using a spiked wholemeal wheat flour matrix. For alternariol and alternariol monomethyl ether, but not for altenuene, degradation products, formed through a sequence of hydrolysis and decarboxylation, could be identified in pilot studies. The simultaneous quantification of alternariol, alternariol monomethyl ether, altenuene, and the degradation products was achieved by a newly developed high performance liquid chromatography tandem mass spectrometry (HPLC-MS/MS) multimethod. The obtained quantitative data indicate that the Alternaria mycotoxins are barely degraded during wet baking, while significant degradation occurs upon dry baking, with the stability decreasing in the order alternariol monomethyl ether>alternariol>altenuene. The novel degradation products could be detected after the wet baking of flour spiked with alternariol and in a sample survey of 24 commercial cereal based baking products.

Synthesis and biological evaluation of arctigenin ester and ether derivatives as activators of AMPK.

Science.gov (United States)

Shen, Sida; Zhuang, Jingjing; Chen, Yijia; Lei, Min; Chen, Jing; Shen, Xu; Hu, Lihong

2013-07-01

A series of new arctigenin and 9-deoxy-arctigenin derivatives bearing different ester and ether side chains at the phenolic hydroxyl positions are designed, synthesized, and evaluated for activating AMPK potency in L6 myoblasts. Initial biological evaluation indicates that some alkyl ester and phenethyl ether arctigenin derivatives display potential activities in AMPK phosphorylation improvement. Further structure-activity relationship analysis shows that arctigenin ester derivatives 3a, 3h and 9-deoxy-arctigenin phenethyl ether derivatives 6a, 6c, 6d activate AMPK more potently than arctigenin. Moreover, the 2-(3,4-dimethoxyphenyl)ethyl ether moiety of 6c has been demonstrated as a potential functional group to improve the effect of AMPK phosphorylation. The structural optimization of arctigenin leads to the identification of 6c as a promising lead compound that exhibits excellent activity in AMPK activation. Copyright © 2013 The Authors. Published by Elsevier Ltd.. All rights reserved.

Polyether ether ketone film. Polyether ether ketone film

Energy Technology Data Exchange (ETDEWEB)

Suzuki, S. (Sumitomo Chemical Co. Ltd., Tokyo (Japan))

1990-07-05

The characteristics and the film making process of polyether ether ketone (PEEK) resin, and the characteristics and the applications of PEEK film, are described. PEEK is aromatic polyketone with super thermal resistance. Though it is a crystalline polymer of which the crystallinity is controlled to 48% in a highest degree, it has also amorphous property, thus it shows unique property. The characteristics of PEEK resin are found in thermal resistance, incombusti-bility, transparency, chemical resistance, light resistance and radiation resistance. As for the film making process, casting method by T-die is generally adopted. The general properties of PEEK film are excellent in high thermal resistance, good electrical properties, chemical resistance, hydrolysis resistance, radiation resistance and imcombusti-bility. In the application of PEEK film, new development is expected in following fields; a high performance composite, flexible print substrate with high thermal resistance, insulating tape with thermal resistance, and a general film in the nuclear energy industry. 5 figs., 5 tabs.

Leaching characteristics of polybrominated diphenyl ethers (PBDEs) from flame-retardant plastics.

Science.gov (United States)

Kim, Yong-Jin; Osako, Masahiro; Sakai, Shin-ichi

2006-10-01

To investigate the effect of leachant on the leachability of polybrominated diphenyl ethers (PBDEs), we determined the leaching concentrations of PBDEs from flame-retardant plastic samples (TV housings and raw materials before molding processing) that are regarded as a source of PBDEs in landfill sites. The leachants used were distilled water, 20% methanol solution, and dissolved humic solution (DHS) of 1000 mg/l based on organic carbon. The leaching test conditions were a liquid-to-solid ratio of 100:1, and a contact period of five days, with twice-daily agitation in a temperature-controlled room of 30 degrees C without pH or ionic strength control. The leaching concentrations of PBDEs increased with increased content, and were found to be remarkably enhanced when methanol and DHS were used instead of distilled water. The enhancement of leachability in the presence of the latter was attributed to the cosolvency effect, and complex formations between the PBDEs and dissolved humic matter (DHM). PBDE concentrations in the leachate obtained from the leaching test and an actual landfill site revealed a significant presence of congeners below heptabromodiphenyl ethers (H7BDEs), detected in the leachate of the actual landfill, while significant amounts of nonabromodiphenyl ethers (N9BDEs) and decabromodiphenyl ether (D10BDE) were detected in the leachate of the leaching test.

Photosynthesis involvement in the mechanism of action of diphenyl ether herbicides.

Science.gov (United States)

Ensminger, M P; Hess, F D

1985-05-01

Photosynthesis is not required for the toxicity of diphenyl ether herbicides, nor are chloroplast thylakoids the primary site of diphenyl ether herbicide activity. Isolated spinach (Spinacia oleracea L.) chloroplast fragments produced malonyl dialdehyde, indicating lipid peroxidation, when paraquat (1,1'-dimethyl-4,4'-bipyridinium ion) or diuron [3-(3,4-dichlorophenyl)-1,1-dimethylurea] were added to the medium, but no malonyl dialdehyde was produced when chloroplast fragments were treated with the methyl ester of acifluorfen (methyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid), oxyfluorfen [2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene], or MC15608 (methyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-chlorobenzoate). In most cases the toxicity of acifluorfen-methyl, oxyfluorfen, or MC15608 to the unicellular green alga Chlamydomonas eugametos (Moewus) did not decrease after simultaneous treatment with diuron. However, diuron significantly reduced cell death after paraquat treatment at all but the highest paraquat concentration tested (0.1 millimolar). These data indicate electron transport of photosynthesis is not serving the same function for diphenyl ether herbicides as for paraquat. Additional evidence for differential action of paraquat was obtained from the superoxide scavenger copper penicillamine (copper complex of 2-amino-3-mercapto-3-methylbutanoic acid). Copper penicillamine eliminated paraquat toxicity in cucumber (Cucumis sativus L.) cotyledons but did not reduce diphenyl ether herbicide toxicity.

Polybrominated diphenyl ethers and “novel” brominated flame retardants in floor and elevated surface house dust from Iraq: Implications for human exposure assessment

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Layla Salih Al-Omran

2016-03-01

Full Text Available Concentrations of polybrominated diphenyl ethers (PBDEs and selected novel brominated flame retardants (NBFRs were measured in indoor dust from the living areas of 18 homes in Basrah, Iraq. This is the first report of contamination of the Iraqi environment with these chemicals. To evaluate the implications for human exposure, samples were collected from both the floor and from elevated surfaces like tables, shelves and chairs. When normalised for the organic carbon content of the dust sample, concentrations in elevated surface dust of BDE-99, BDE-209, pentabromoethylbenzene (PBEB, bis (2-ethylhexyl 3,4,5,6-tetrabromophthalate (BEH-TEBP, and decabromodiphenylethane (DBDPE exceeded significantly (p < 0.05 those in floor dust from the same rooms. This suggests that previous studies that base estimates of adult exposure via dust ingestion on floor dust, may underestimate exposure. Such underestimation is less likely for toddlers who are far more likely to ingest floor dust. Concentrations of PBDEs and NBFRs in indoor dust from Basrah, Iraq are at the lower end of levels reported elsewhere. The PBDE contamination pattern in our samples suggests that use in Iraq of the Deca-BDE formulation, exceeds substantially that of Penta-BDE, but that use of the Octa-BDE formulation has been higher in Iraq than in some other regions. Reassuringly, our estimates of exposure to our target BFRs via dust ingestion for the Iraqi population fall well below the relevant health-based limit values.

Pure white OLED based on an organic small molecule: 2,6-Di(1H-benzo[d]imidazol-2-yl)pyridine

Science.gov (United States)

Liu, Jian

2015-10-01

2,6-Di(1H-benzo[d]imidazol-2-yl)pyridine (DBIP) was synthesized. The single-crystal structure of DBIP was resolved. DBIP-based OLED was fabricated. The electroluminescence for the device corresponds to a pure white emission. In addition, thermal stability, UV-vis, photoluminescence and electrochemical behaviors of DBIP were investigated as well.

Selectivity in stripping of alkali-metal cations from crown ether carboxylate complexes

International Nuclear Information System (INIS)

Bartsch, R.A.; Walkowiak, W.; Robison, T.W.

1992-01-01

To probe the effect of structural variations within the ionophore upon the efficiency and selectivity of solvent extraction, a variety of crown ether carboxylic acids and phosphonic acid monoesters have been synthesized. In other studies the influence of the organic diluent upon extraction efficiency and selectivity has been probed for such proton-ionizable crown ethers. In the present investigation, attention is focused upon selectivity in the stripping step. Although the efficiency of metal ion stripping is often examined in solvent extraction studies, the selectivity of competitive metal ion release under different conditions is much less frequently considered. In this study, competitive stripping of metal ions from chloroform solutions of five-alkali-metal crown ether carboxylates by varying concentrations of aqueous hydrochloric acid is examined. Alkali metals used were Li, Na, K, Rb, and Cs

DNA binding, cytotoxicity and apoptosis induction activity of a mixed-ligand copper(II) complex with taurine Schiff base and imidazole

Science.gov (United States)

Li, Mei; kong, Lin Lin; Gou, Yi; Yang, Feng; Liang, Hong

2014-07-01

A novel binuclear copper(II) complex (complex 1) with taurine Schiff base and imidazole has been synthesized and structurally characterized by single crystal X-ray diffraction, elemental analysis, ESI-MS spectrometry, UV-vis and IR spectroscopy. Single-crystal analysis revealed that 1 displays the sulfonate-bridged dinuclear copper(II) centers. Both copper atoms are five-coordinated and exhibit slightly distorted square pyramidal geometries. Each of copper atom is surrounded by three oxygen atoms and one nitrogen atom from different taurine Schiff base ligands, and one nitrogen atom from one imidazole ligand. The interaction between 1 and calf thymus DNA (CT-DNA) was investigated by UV-vis, fluorescence, circular dichroism (CD) spectra and agarose gel electrophoresis. The experimental results indicated that 1 could bind to CT-DNA via an intercalative mode and show efficient cleavage activity. In addition, 1 showed an antitumor effect on cell cycle and apoptosis. Flow cytometric analysis revealed that MGC-803 cells were arrested in the S phase after treatment with 1. Fluorescence microscopic observation indicated that 1 could induce apoptosis of MGC-803 cells.

Phenyl ethers from cultured lichen mycobionts of Graphis scripta var. serpentina and G. rikuzensis.

Science.gov (United States)

Takenaka, Yukiko; Tanahashi, Takao; Nagakura, Naotaka; Hamada, Nobuo

2003-07-01

Spore-derived mycobionts of the lichen Graphis scripta var. serpentina and G. rikuzensis were cultivated on a malt-yeast extract medium supplemented with 10% sucrose and their metabolites were investigated. 3,3'-Dihydroxy-5,5'-dimethyldiphenyl ether was isolated from the cultures of the mycobionts of G. scripta var. serpentina, while a new phenyl ether, rikuzenol, along with two known diphenyl ethers, violaceol-I and violaceol-II, were isolated from those of G. rikuzensis. The structure of the new compound was determined by spectroscopic methods. Violaceol-I was chemically synthesized and interconversion between violaceol-I and violaceol-II was proven.

Calcium carbonate growth in the presence of water soluble cellulose ethers

International Nuclear Information System (INIS)

Zhang Fengju; Yang Xinguo; Tian Fei

2009-01-01

Calcium carbonate precipitation was performed in the presence of methyl cellulose (MC) and two kinds of hydroxyethyl cellulose (HEC FD-10000, HEC FD-30000). The results demonstrated that the final product morphology and structure of CaCO 3 crystals are highly sensitive to the concentration of the cellulose ethers aqueous solution. By precisely controlling their concentrations, all these three cellulose ethers solutions have the ability of protecting metastable vaterite from thermodynamically transforming into stable calcite. The intermediate products investigation showed to some extent the phase transformation of calcium carbonate in its growing process from metastable vaterite to calcite and indicated that the calcium carbonate crystal growth in HEC solutions occurs through dissolution and reprecipitation process. Calcium carbonate growth in both presence of HEC and ethanol or Mg 2+ was also examined. This work demonstrates the potential of water soluble cellulose ethers in controlling biominerals crystallization and growth. The results are revelatory for biomineralization and fabricating new organic-inorganic hybrids based on cellulose derivatives.

Interactions between selected bile salts and Triton X-100 or sodium lauryl ether sulfate

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Ćirin Dejan M

2011-12-01

Full Text Available Abstract Background In order to develop colloidal drug carriers with desired properties, it is important to determine physico-chemical characteristics of these systems. Bile salt mixed micelles are extensively studied as novel drug delivery systems. The objective of the present investigation is to develop and characterize mixed micelles of nonionic (Triton X-100 or anionic (sodium lauryl ether sulfate surfactant having oxyethylene groups in the polar head and following bile salts: cholate, deoxycholate and 7-oxodeoxycholate. Results The micellization behaviour of binary anionic-nonionic and anionic-anionic surfactant mixtures was investigated by conductivity and surface tension measurements. The results of the study have been analyzed using Clint's, Rubingh's, and Motomura's theories for mixed binary systems. The negative values of the interaction parameter indicate synergism between micelle building units. It was noticed that Triton X-100 and sodium lauryl ether sulfate generate the weakest synergistic interactions with sodium deoxycholate, while 7-oxodeoxycholate creates the strongest attractive interaction with investigated co-surfactants. Conclusion It was concluded that increased synergistic interactions can be attributed to the larger number of hydrophilic groups at α side of the bile salts. Additionally, 7-oxo group of 7-oxodeoxycholate enhance attractive interactions with selected co-surfactants more than 7-hydroxyl group of sodium cholate.

Interactions between selected bile salts and Triton X-100 or sodium lauryl ether sulfate.

Science.gov (United States)

Cirin, Dejan M; Poša, Mihalj M; Krstonošić, Veljko S

2011-12-29

In order to develop colloidal drug carriers with desired properties, it is important to determine physico-chemical characteristics of these systems. Bile salt mixed micelles are extensively studied as novel drug delivery systems. The objective of the present investigation is to develop and characterize mixed micelles of nonionic (Triton X-100) or anionic (sodium lauryl ether sulfate) surfactant having oxyethylene groups in the polar head and following bile salts: cholate, deoxycholate and 7-oxodeoxycholate. The micellization behaviour of binary anionic-nonionic and anionic-anionic surfactant mixtures was investigated by conductivity and surface tension measurements. The results of the study have been analyzed using Clint's, Rubingh's, and Motomura's theories for mixed binary systems. The negative values of the interaction parameter indicate synergism between micelle building units. It was noticed that Triton X-100 and sodium lauryl ether sulfate generate the weakest synergistic interactions with sodium deoxycholate, while 7-oxodeoxycholate creates the strongest attractive interaction with investigated co-surfactants. It was concluded that increased synergistic interactions can be attributed to the larger number of hydrophilic groups at α side of the bile salts. Additionally, 7-oxo group of 7-oxodeoxycholate enhance attractive interactions with selected co-surfactants more than 7-hydroxyl group of sodium cholate.

Volumetric and viscometric study of aqueous binary mixtures of some glycol ethers at T = (275.15 and 283.15) K

International Nuclear Information System (INIS)

Dhondge, Sudhakar S.; Pandhurnekar, Chandrashekhar P.; Sheikh, Shaziya; Deshmukh, Dinesh W.

2011-01-01

Graphical abstract: Highlights: → Study of aqueous solutions of glycol ethers at low temperatures is presented. → Glycol ethers are industrially important liquids. → Reduction in the volume was observed upon addition of all glycol ethers to water. → Glycol ethers act as structure makers in aqueous medium. - Abstract: The experimental data for the density (ρ) and viscosity (η) are reported for aqueous binary mixtures of different glycol ethers, namely ethylene glycol monomethyl ether (EGMME), ethylene glycol monoethyl ether (EGMEE), diethylene glycol monomethyl ether (DEGMME), and diethylene glycol monoethyl ether (DEGMEE), at different temperatures (T = 275.15 K and 283.15 K) within the concentration range 0 mol . kg -1 to 0.1 mol . kg -1 . The values of density (ρ) and viscosity (η) of the solutions were used to compute different derived parameters, such as apparent molar volume (φ V ) of the solute, excess molar volume (V E ) of the solution, viscosity B and D coefficients of solution and temperature coefficient of viscosity B-coefficient (dB/dT) of solution. The limiting apparent molar volume of the solutes (φ V 0 ) have been obtained for aqueous binary mixtures of these glycol ethers by smooth extrapolation of φ V -m curves to zero concentration. By using the values of φ V 0 , the limiting excess partial molar volumes (V-bar 2 0E ) have also been calculated. The results are interpreted in term of various interactions such as solute-solvent interactions and hydrogen bonding.

Tumor Repression of VCaP Xenografts by a Pyrrole-Imidazole Polyamide.

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Amanda E Hargrove

Full Text Available Pyrrole-imidazole (Py-Im polyamides are high affinity DNA-binding small molecules that can inhibit protein-DNA interactions. In VCaP cells, a human prostate cancer cell line overexpressing both AR and the TMPRSS2-ERG gene fusion, an androgen response element (ARE-targeted Py-Im polyamide significantly downregulates AR driven gene expression. Polyamide exposure to VCaP cells reduced proliferation without causing DNA damage. Py-Im polyamide treatment also reduced tumor growth in a VCaP mouse xenograft model. In addition to the effects on AR regulated transcription, RNA-seq analysis revealed inhibition of topoisomerase-DNA binding as a potential mechanism that contributes to the antitumor effects of polyamides in cell culture and in xenografts. These studies support the therapeutic potential of Py-Im polyamides to target multiple aspects of transcriptional regulation in prostate cancers without genotoxic stress.

Degradation of blending vulcanized natural rubber and nitril rubber (NR/NBR) by dimethyl ether through variation of elastomer ratio

Science.gov (United States)

Saputra, A. H.; Juneva, S.; Sari, T. I.; Cifriadi, A.

2018-04-01

Dimethyl ether can cause degradation of the rubber material seal in some applications. In order to use of natural rubber in industry, research about a blending of natural rubber (NR) and nitrile rubber (NBR) to produce rubber to meet the standard seal material application were conducted. This study will observe the degradation mechanisms that occur in the blending natural rubber and nitrile rubber (NR/NBR) by dimethyl ether. Nitrile rubber types used in this study is medium quality nitrile rubber with 33% of acrylonitrile content (NBR33). The observed parameters are percent change in mass, mechanical properties and surface morphology. This study is limited to see the effect of variation vulcanized blending ratio (NR/NBR33) against to swelling. The increase of nitrile rubber (NBR33) ratio of blending rubber vulcanized can reduce the tensile strength and elongation. The best elastomer variation was obtained after comparing with the standard feasibility material of seal is rubber vulcanized blending (NR/NBR33) with ratio 40:60 NR: NBR.

Structure and Heme-Independent Peroxidase Activity of a Fully-Coordinated Mononuclear Mn(II) Complex with a Schiff-Base Tripodal Ligand Containing Three Imidazole Groups

Energy Technology Data Exchange (ETDEWEB)

Sarkar, Shuranjan; Lee, Hong In [Kyungpook National University, Daegu (Korea, Republic of); Moon, Do Hyun [Pohang Accelerator Laboratory, Pohang (Korea, Republic of); Lah, Myoung Soo [Ulsan National Institute of Science and Technology, Ulsan (Korea, Republic of)

2010-11-15

New complex [Mn(II)H{sub 1.5}L]{sub 2}[Mn(II)H{sub 3}L]{sub 2}(ClO{sub 4}){sub 5}·3H{sub 2}O, where H{sub 3}L is tris{2-(4-imidazolyl)methyliminoethyl} amine (imtren), has been prepared by reacting manganese(II) perchlorate hexahydrate with the imtren ligand in methanol. X-ray crystallographic study revealed that the imtren ligand hexadentately binds to Mn(II) ion through the three Schiff-base imine N atoms and three imidazole N atoms with a distorted octahedral geometry, and the apical tertiary amine N atom of the ligand pseudo-coordinates to Mn(II), forming overall a pseudo-seven coordination environment. The hydrogen-bonds between imidazole and imidazolate of [Mn(II)H{sub 1.5}L]{sup 0.5+} complex ions are extended to build a 2D puckered network with trigonal voids. [Mn(II)H{sub 3}L]{sup 2+} complex ions constitutes another extended 2D puckered layer without hydrogen bonds. Two layers are wedged each other to constitute overall stack of the crystal. Peroxidase activity of complex 1 was examined by observing the oxidation of 2,2'-azinobis(3-ethylbenzothiazoline)- 6-sulfonic acid (ABTS) with hydrogen peroxide in the presence of complex 1. Generation of ABTS{sup +·} was observed by UV-vis and EPR spectroscopies, indicating that the complex 1, a fully-coordinated mononuclear Mn(II) complex with nitrogen-only ligand, has a heme-independent peroxidase activity.

Preparation and characterization of sulfonated amine-poly(ether sulfone)s for proton exchange membrane fuel cell

Energy Technology Data Exchange (ETDEWEB)

Seo, Dong-Wan; Lim, Young-Don; Lee, Soon-Ho; Jeong, Young-Gi; Kim, Whan-Gi [Department of Applied Chemistry/RIC-ReSEM, Konkuk University, Chungju-si, Chungbuk 380-701 (Korea, Republic of); Hong, Tae-Whan [Department of Materials Sci and Engineering/RIC-ReSEM, Chungju National University, Chungju, Chungbuk (Korea, Republic of)

2010-12-15

Sulfonated amine-poly(ether sulfone)s (S-APES)s were prepared by nitration, reduction and sulfonation of poly(ether sulfone) (ultrason {sup registered} -S6010). Poly(ether sulfone) was reacted with ammonium nitrate and trifluoroacetic anhydride to produce the nitrated poly(ether sulfone), and was followed by reduction using tin(II)chloride and sodium iodide as reducing agents to give the amino-poly(ether sulfone). The S-APES was obtained by reaction of 1,3-propanesultone and the amino-poly(ether sulfone) (NH{sub 2}-PES) with sodium methoxide. The different degrees of nitration and reduction of poly(ether sulfone) were successfully synthesized by an optimized process. The reduction of nitro group to amino was done quantitatively, and this controlled the contents of the sulfonic acid group. The films were converted from salt to acid forms with dilute hydrochloric acid. Different contents of sulfonated unit of the S-APES were studied by FT-IR, {sup 1}H NMR spectroscopy, differential scanning calorimetry (DSC), and thermo gravimetric analysis (TGA). Sorption experiments were conducted to observe the interaction of sulfonated polymers with water and methanol. The ion exchange capacity (IEC), a measure of proton conductivity, was evaluated. The S-APES membranes exhibit conductivities (25 C) from 1.05 x 10{sup -3} to 4.83 x 10{sup -3} S/cm, water swell from 30.25 to 66.50%, IEC from 0.38 to 0.82 meq/g, and methanol diffusion coefficients from 3.10 x 10{sup -7} to 4.82 x 10{sup -7} cm{sup 2}/S at 25 C. (author)

Mutagenicity of 1-Ethyl-2,4,5-triphenyl-1H-imidazole and Six Derivatives in Salmonella typhimurium

OpenAIRE

KORKMAZ, Ferhan; Korkmaz, Ferhan; MERCANGOZ, Ayse

2010-01-01

 Newly synthesized 1-Ethyl-2,4,5-triphenyl-1H-imidazole and its six derivatives were tested by Ames assay. In order to reveal the mutagenic activities of the compounds, two different mutant strains of Salmonella typhimurium (TA98 and TA100) were used in an Ames assay with/without S9 microsomal fraction from rat liver. It was found that the compounds have no mutagenic activities.          &nb...

The hydrolysis of geminal ethers: a kinetic appraisal of orthoesters and ketals

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Sonia L. Repetto

2016-07-01

Full Text Available A novel approach to protecting jet fuel against the effects of water contamination is predicated upon the coupling of the rapid hydrolysis reactions of lipophilic cyclic geminal ethers, with the concomitant production of a hydrophilic acyclic hydroxyester with de-icing properties (Fuel Dehydrating Icing Inhibitors - FDII. To this end, a kinetic appraisal of the hydrolysis reactions of representative geminal ethers was undertaken using a convenient surrogate for the fuel–water interface (D2O/CD3CN 1:4. We present here a library of acyclic and five/six-membered cyclic geminal ethers arranged according to their hydroxonium catalytic coefficients for hydrolysis, providing for the first time a framework for the development of FDII. A combination of 1H NMR, labelling and computational studies was used to assess the effects that may govern the observed relative rates of hydrolyses.

A Convenient and Efficient Method for Demethylation of Aryl Methyl Ethers with Magnesium Iodide in Ionic Liquid

International Nuclear Information System (INIS)

Lee, Kwan Soo; Kim, Kee D.

2010-01-01

We have developed a new and efficient method for the demethylation of various types of aryl methyl ethers using readily available, stable, and easily handled magnesium iodide in [BMIM]BF 4 ionic liquid. Owing to its simplicity and mild reaction conditions the protocol reported herein may serve as a useful alternative to the existing methods for the deprotection of aryl methyl ethers to the corresponding phenolic derivatives. Demethylation of aryl methyl ethers to the corresponding phenols are very important reactions in organic synthesis. A number of methods have been reported for the cleavage of highly stable aryl methyl ethers utilizing strong acids or bases such as aluminum chloride, boron tribromide, cerium chloride, alkaline thiolate, methyl magnesium iodide, and L-Selectride. However, all of these methods invariably suffered from one or more drawbacks such as harsh reaction conditions, long reaction times, difficulty of manipulation, use of exotic reagents, and low reaction yields. Furthermore, in the most of known methods for demethylation of aryl methyl ethers, use of large excess amounts of demethylating agents have been generally required. Thus, it is highly desirable to develop an improved convenient and efficient procedure for demethylation reactions of aryl methyl ethers

A Convenient and Efficient Method for Demethylation of Aryl Methyl Ethers with Magnesium Iodide in Ionic Liquid

Energy Technology Data Exchange (ETDEWEB)

Lee, Kwan Soo [KAIST, Daejeon (Korea, Republic of); Kim, Kee D. [Sangji University, Wonju (Korea, Republic of)

2010-12-15

We have developed a new and efficient method for the demethylation of various types of aryl methyl ethers using readily available, stable, and easily handled magnesium iodide in [BMIM]BF{sub 4} ionic liquid. Owing to its simplicity and mild reaction conditions the protocol reported herein may serve as a useful alternative to the existing methods for the deprotection of aryl methyl ethers to the corresponding phenolic derivatives. Demethylation of aryl methyl ethers to the corresponding phenols are very important reactions in organic synthesis. A number of methods have been reported for the cleavage of highly stable aryl methyl ethers utilizing strong acids or bases such as aluminum chloride, boron tribromide, cerium chloride, alkaline thiolate, methyl magnesium iodide, and L-Selectride. However, all of these methods invariably suffered from one or more drawbacks such as harsh reaction conditions, long reaction times, difficulty of manipulation, use of exotic reagents, and low reaction yields. Furthermore, in the most of known methods for demethylation of aryl methyl ethers, use of large excess amounts of demethylating agents have been generally required. Thus, it is highly desirable to develop an improved convenient and efficient procedure for demethylation reactions of aryl methyl ethers.

Synthesis of O-[2-[18F]fluoro-3-(2-nitro-1H-imidazole-1-yl)propyl]tyrosine ([18F]FNT]) as a new class of tracer for imaging hypoxia

International Nuclear Information System (INIS)

Noeen Malik; Xian Lin; Christoph Solbach; Hans-Juergen Machulla; Bin Shen; Gerald Reischl; Wolfgang Voelter

2012-01-01

For detection of hypoxic tumor tissue, all radiotracers synthesized until now, are based on the concept that cellular uptake is being controlled by diffusion. As a new approach, we chose the concept to have the tracer hypothetically transported into the cells by well known carrier systems like the amino acid transporters. For this purpose, radiosynthesis of O-[2-[ 18 F]fluoro-3-(2-nitro-1H-imidazole-1yl)propyl]tyrosine ([18F]FNT]) was carried out from methyl 2-(benzyloxycarbonyl)-3-(4-3-(2-nitro-1H-imidazol-1-yl) -2-(tosyloxy)propoxy) phenyl)propanoate via no-carrier-added nucleophilic aliphatic substitution. After labelling, 81 ± 0.9% of labelled intermediate i.e. methyl 2-(benzyloxycarbonyl)-3-(4-(2-[ 18 F]fluoro-3- (2-nitro-1H-imidazole-1-yl)propoxy) phenyl)propanoate was obtained at 140 deg C. At the end of radiosynthesis, [ 18 F]FNT was obtained in an overall radiochemical yield of 40 ± 0.9% (not decay corrected) within 90 min in a radiochemical purity of >98% in a formulation ready for application in the clinical studies for PET imaging of hypoxia. (author)

Designing inhibitors of cytochrome c/cardiolipin peroxidase complexes: mitochondria-targeted imidazole-substituted fatty acids.

Science.gov (United States)

Jiang, Jianfei; Bakan, Ahmet; Kapralov, Alexandr A; Silva, K Ishara; Huang, Zhentai; Amoscato, Andrew A; Peterson, James; Garapati, Venkata Krishna; Saxena, Sunil; Bayir, Hülya; Atkinson, Jeffrey; Bahar, Ivet; Kagan, Valerian E

2014-06-01

Mitochondria have emerged as the major regulatory platform responsible for the coordination of numerous metabolic reactions as well as cell death processes, whereby the execution of intrinsic apoptosis includes the production of reactive oxygen species fueling oxidation of cardiolipin (CL) catalyzed by cytochrome (Cyt) c. As this oxidation occurs within the peroxidase complex of Cyt c with CL, the latter represents a promising target for the discovery and design of drugs with antiapoptotic mechanisms of action. In this work, we designed and synthesized a new group of mitochondria-targeted imidazole-substituted analogs of stearic acid TPP-n-ISAs with various positions of the attached imidazole group on the fatty acid (n = 6, 8, 10, 13, and 14). By using a combination of absorption spectroscopy and EPR protocols (continuous wave electron paramagnetic resonance and electron spin echo envelope modulation) we demonstrated that TPP-n-ISAs indeed were able to potently suppress CL-induced structural rearrangements in Cyt c, paving the way to its peroxidase competence. TPP-n-ISA analogs preserved the low-spin hexa-coordinated heme-iron state in Cyt c/CL complexes whereby TPP-6-ISA displayed a significantly more effective preservation pattern than TPP-14-ISA. Elucidation of these intermolecular stabilization mechanisms of Cyt c identified TPP-6-ISA as an effective inhibitor of the peroxidase function of Cyt c/CL complexes with a significant antiapoptotic potential realized in mouse embryonic cells exposed to ionizing irradiation. These experimental findings were detailed and supported by all-atom molecular dynamics simulations. Based on the experimental data and computation predictions, we identified TPP-6-ISA as a candidate drug with optimized antiapoptotic potency. Copyright © 2014 Elsevier Inc. All rights reserved.

Electrochemical investigation of sulfonated poly(ether ether ketone)/clay nanocomposite membranes for moderate temperature fuel cell applications

Energy Technology Data Exchange (ETDEWEB)

Hasani-Sadrabadi, Mohammad Mahdi [Polymer Engineering Department, Amirkabir University of Technology, Tehran (Iran); Biomedical Engineering Department, Amirkabir University of Technology, Tehran (Iran); Dashtimoghadam, Erfan; Sarikhani, Kaveh [Polymer Engineering Department, Amirkabir University of Technology, Tehran (Iran); Majedi, Fatemeh S. [Biomedical Engineering Department, Amirkabir University of Technology, Tehran (Iran); Khanbabaei, Ghader [Polymer Science and Technology Division, Research Institute of Petroleum Industry, Tehran (Iran)

2010-05-01

In the present study, polyelectrolyte membranes based on partially sulfonated poly(ether ether ketone) (sPEEK) with various degrees of sulfonation are prepared. The optimum degree of sulfonation is determined according to the transport properties and hydrolytic stability of the membranes. Subsequently, various amounts of the organically modified montmorillonite (MMT) are introduced into the sPEEK matrices via the solution intercalation technique. The proton conductivity and methanol permeability measurements of the fabricated composite membranes reveal a high proton to methanol selectivity, even at elevated temperatures. Membrane based on sPEEK and 1 wt% of MMT, as the optimum nanoclay composition, exhibits a high selectivity and power density at the concentrated methanol feed. Moreover, it is found that the optimum nanocomposite membrane not only provides higher performance compared to the neat sPEEK and Nafion {sup registered} 117 membranes, but also exhibits a high open circuit voltage (OCV) at the elevated methanol concentration. Owing to the high proton conductivity, reduced methanol permeability, high power density, convenient processability and low cost, sPEEK/MMT nanocomposite membranes could be considered as the alternative membranes for moderate temperature direct methanol fuel cell applications. (author)

Novel sulfonated poly (ether ether keton)/polyetherimide acid-base blend membranes for vanadium redox flow battery applications

International Nuclear Information System (INIS)

Liu, Shuai; Wang, Lihua; Ding, Yue; Liu, Biqian; Han, Xutong; Song, Yanlin

2014-01-01

Highlights: • SPEEK/PEI acid-base blend membranes are prepared for VRB applications. • The acid-base blend membranes have much lower vanadium ion permeability. • The energy efficiency of SPEEK/PEI maintain around 86.9% after 50 cycles. - Abstract: Novel acid-base blend membranes composed of sulfonated poly (ether ether ketone) (SPEEK) and polyetherimide (PEI) were prepared for vanadium redox flow battery (VRB). The blend membranes were characterized by Fourier transform infrared spectroscopy (FT-IR) and scanning electronic microscopy (SEM). The ion exchange capacity (IEC), proton conductivity, water uptake, vanadium ion permeability and mechanical properties were measured. As a result, the acid-base blend membranes exhibit higher water uptake, IEC and lower vanadium ion permeability compared to Nafion117 membranes and all these properties decrease with the increase of PEI. In VRB single cell test, the VRB with blend membranes shows lower charge capacity loss, higher coulombic efficiency (CE) and energy efficiency (EE) than Nafion117 membrane. Furthermore, the acid-base blend membranes present stable performance up to 50 cycles with no significant decline in CE and EE. All experimental results indicate that the SPEEK/PEI (S/P) acid-base blend membranes show promising prospects for VRB

alpha,beta-unsaturated 2-acyl imidazoles as a practical class of dienophiles for the DNA-Based catalytic asymmetric diels-alder reaction in water

NARCIS (Netherlands)

Boersma, A.J.; Feringa, B.L.; Roelfes, G.

2007-01-01

alpha,beta-Unsaturated 2-acyl imidazoles are a novel and practical class of dienophiles for the DNA-based catalytic asymmetric Diels-Alder reaction in water. The Diels-Alder products are obtained with very high diastereoselectivities and enantioselectivities in the range of 83-98%. The catalytic

Isotopic exchange of cyclic ethers with deuterium over metal catalysts

International Nuclear Information System (INIS)

Duchet, J.C.; Cornet, D.

1976-01-01

The exchange reaction between deuterium and cyclic ethers (oxolane and α-methyl derivatives) has been investigated using rhodium and palladium catalysts. The first hydrogen undergoing exchange has been found to be located on a β-carbon. This fact, and the poisoning of the exchange of cyclopentane in the presence of ether, suggest that the O atom participates in the exchange mechanism of ethers. It appears, however, that the oxygen--metal bonding occurs only during this simple exchange process; simultaneous adsorption of oxygen and a vicinal carbon causes hydrogenolysis of the O--C bond. In each case multiple exchange is important. In the oxolane molecule two sets of exchangeable hydrogens are distinguished according to their reactivities, as could be expected by analogy with cycloalkanes. However, this distinction is not so clear in the exchange patterns of substituted oxolanes, since intermediate maxima are observed in these cases. It is suggested that the conformational properties of the substituted rings cause a constraint in the formation of 3,4-diadsorbed oxolanes. Thus, multiple exchange, based on α,β-process, and epimerization via the ''roll-over'' mechanism occur preferentially in certain parts of the molecules

Development of an EtherCAT enabled digital servo controller for the Green Bank Telescope

Science.gov (United States)

Whiteis, Peter G.; Mello, Melinda J.

2012-09-01

EtherCAT (Ethernet for Control Automation Technology) is gaining wide spread popularity in the automation industry as a real time field bus based on low cost, Ethernet hardware. EtherCAT maximizes use of 100Mbps Ethernet hardware by using a collision free ring topology, efficient Ethernet frame utilization (> 95%), and data exchange "on the fly". These characteristics enable EtherCAT to achieve Master to Slave node data exchange rates of > 1000 Hz. The Green Bank Telescope, commissioned in 2000, utilizes an analog control system for motion control of 8 elevation and 16 azimuth motors. This architecture, while sufficient for observations at frequencies up to 50GHz, has significant limitations for the current scientific goals of observing at 115GHz. Accordingly, the Green Bank staff has embarked on a servo upgrade project to develop a digital servo system which accommodates development and implementation of advanced control algorithms. This paper describes how the new control system requirements, use of existing infrastructure and budget constraints led us to define a distributed motion control architecture where EtherCAT real-time Ethernet was selected as the communication bus. Finally, design details are provided that describe how NRAO developed a custom EtherCAT-enabled motor controller interface for the GBT's legacy motor drives in order to provide technical benefits and flexibility not available in commercial products.

Electrochemically Active Polymeric Hollow Fibers based on Poly(ether- b -amide)/Carbon Nanotubes

KAUST Repository

Cuevas, Carolina

2017-09-18

A simple and effective method to incorporate catalytic activity to a hollow fiber membrane is reported. Polyetherimide hollow fiber membranes were coated with a solution containing carboxyl-functionalized multi-walled carbon nanotubes and poly(ether-b-amide). Electron microscopy images confirmed the presence of a layer of percolating carbon nanotubes on the surface of the membranes. Cyclic voltammetry and linear swept voltammetry experiments showed that these membranes are able to drive the reactions of hydrogen evolution, and oxygen reduction, making them a cheaper, and greener substitute for platinum based cathodes in microbial bioelectrochemical systems. Water flux and molecular weight cut off experiments indicated that the electrochemically active coating layer does not affect the ultrafiltration performance of the membrane.

Electrochemically Active Polymeric Hollow Fibers based on Poly(ether- b -amide)/Carbon Nanotubes

KAUST Repository

Cuevas, Carolina; Kim, Dooli; Katuri, Krishna; Saikaly, Pascal; Nunes, Suzana Pereira

2017-01-01

A simple and effective method to incorporate catalytic activity to a hollow fiber membrane is reported. Polyetherimide hollow fiber membranes were coated with a solution containing carboxyl-functionalized multi-walled carbon nanotubes and poly(ether-b-amide). Electron microscopy images confirmed the presence of a layer of percolating carbon nanotubes on the surface of the membranes. Cyclic voltammetry and linear swept voltammetry experiments showed that these membranes are able to drive the reactions of hydrogen evolution, and oxygen reduction, making them a cheaper, and greener substitute for platinum based cathodes in microbial bioelectrochemical systems. Water flux and molecular weight cut off experiments indicated that the electrochemically active coating layer does not affect the ultrafiltration performance of the membrane.

[Determination of biphenyl ether herbicides in water using HPLC with cloud-point extraction].

Science.gov (United States)

He, Cheng-Yan; Li, Yuan-Qian; Wang, Shen-Jiao; Ouyang, Hua-Xue; Zheng, Bo

2010-01-01

To determine residues of multiple biphenyl ether herbicides simultaneously in water using high performance liquid chromatography (HPLC) with cloud-point extraction. The residues of eight biphenyl ether herbicides (including bentazone, fomesafen, acifluorfen, aclonifen, bifenox, fluoroglycofenethy, nitrofen, oxyfluorfen) in water samples were extracted with cloud-point extraction of Triton X-114. The analytes were separated and determined using reverse phase HPLC with ultraviolet detector at 300 nm. Optimized conditions for the pretreatment of water samples and the parameters of chromatographic separation applied. There was a good linear correlation between the concentration and the peak area of the analytes in the range of 0.05-2.00 mg/L (r = 0.9991-0.9998). Except bentazone, the spiked recoveries of the biphenyl ether herbicides in the water samples ranged from 80.1% to 100.9%, with relative standard deviations ranging from 2.70% to 6.40%. The detection limit of the method ranged from 0.10 microg/L to 0.50 microg/L. The proposed method is simple, rapid and sensitive, and can meet the requirements of determination of multiple biphenyl ether herbicides simultaneously in natural waters.