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Sample records for bis salicylaldehyde orthophenylenediamine

  1. A Simple and Selective Spectrophotometric Method for the Determination of Trace Gold in Real, Environmental, Biological, Geological and Soil Samples Using Bis (Salicylaldehyde Orthophenylenediamine

    Directory of Open Access Journals (Sweden)

    Rubina Soomro

    2008-01-01

    Full Text Available A simple high sensitive, selective, and rapid spectrophotometric method for the determination of trace gold based on the rapid reaction of gold(III with bis(salicylaldehydeorthophenylenediamine (BSOPD in aqueous and micellar media has been developed. BSOPD reacts with gold(III in slightly acidic solution to form a 1:1 brownish-yellow complex, which has an maximum absorption peak at 490 nm in both aqueous and micellar media. The most remarkable point of this method is that the molar absorptivities of the gold-BSOPD complex form in the presence of the nonionic TritonX-100 surfactant are almost a 10 times higher than the value observed in the aqueous solution, resulting in an increase in the sensitivity and selectivity of the method. The apparent molar absorptivities were found to be 2.3 × 104 L mol−1 cm−1 and 2.5 × 105 L mol−1 cm−1 in aqueous and micellar media, respectively. The reaction is instantaneous and the maximum absorbance was obtained after 10 min at 490 nm and remains constant for over 24 h at room temperature. The linear calibration graphs were obtained for 0.1 –30 mg L−1 and 0.01 –30 mg L−1 of gold(III in aqueous and surfactant media, respectively. The interference from over 50 cations, anions and complexing agents has been studied at 1 mg L−1 of Au(III; most metal ions can be tolerated in considerable amounts in aqueous micellar solutions. The Sandell’s sensitivity, the limit of detection and relative standard deviation (n = 9 were found to be 5 ng cm−2, 1 ng mL−1 and 2%, respectively in aqueous micellar solutions. Its sensitivity and selectivity are remarkably higher than that of other reagents in the literature. The proposed method was successfully used in the determination of gold in several standard reference materials (alloys and steels, environmental water samples (potable and polluted, and biological samples (blood and urine, geological, soil and complex synthetic mixtures. The results obtained agree

  2. Protonated salicylaldehyde: Electronic properties

    Energy Technology Data Exchange (ETDEWEB)

    Alata, Ivan [CLUPS (Centre Laser de l' Universite Paris Sud)/LUMAT - FR 2764, Bat. 106, Univ. Paris-Sud 11, 91405 Orsay Cedex (France); Atomic Energy Commission of Syria, Damascus, P.O. Box 6091 (Syrian Arab Republic); Omidyan, Reza [CLUPS (Centre Laser de l' Universite Paris Sud)/LUMAT - FR 2764, Bat. 106, Univ. Paris-Sud 11, 91405 Orsay Cedex (France); Department of Chemistry, University of Isfahan, 81746-73441 Isfahan (Iran, Islamic Republic of); Broquier, Michel [CLUPS (Centre Laser de l' Universite Paris Sud)/LUMAT - FR 2764, Bat. 106, Univ. Paris-Sud 11, 91405 Orsay Cedex (France); Institut des Sciences Moleculaires d' Orsay, CNRS (UMR 8214), Bat. 210, Univ. Paris-Sud 11, 91405 Orsay Cedex (France); Dedonder, Claude, E-mail: claude.dedonder-lardeux@u-psud.fr [CLUPS (Centre Laser de l' Universite Paris Sud)/LUMAT - FR 2764, Bat. 106, Univ. Paris-Sud 11, 91405 Orsay Cedex (France); Institut des Sciences Moleculaires d' Orsay, CNRS (UMR 8214), Bat. 210, Univ. Paris-Sud 11, 91405 Orsay Cedex (France); and others

    2012-05-03

    Highlights: Black-Right-Pointing-Pointer We report the vibrationally resolved electronic spectrum of protonated salicylaldehyde. Black-Right-Pointing-Pointer The ground and excited states of the 15 possible isomers have been calculated. Black-Right-Pointing-Pointer Among these 15 isomers, only three may contribute to the observed spectrum. Black-Right-Pointing-Pointer Franck-Condon simulations discriminate the isomer responsible for the observed spectrum. - Abstract: The excitation spectrum of protonated salicylaldehyde has been recorded in the 20,800-22,400 cm{sup -1} region (480-450 nm). The first excited state of protonated salicylaldehyde is a {pi}{pi}{sup Asterisk-Operator} state, largely red shifted as compared to the {pi}{pi}{sup Asterisk-Operator} transition of its neutral analogue. Like protonated benzaldehyde and in contrast to some other protonated aromatic molecules such as benzene or tryptophan in which the excited state dynamics is so fast that no vibrational structure can be observed, the vibrational bands are well resolved and assigned. This molecule has many low energy isomers and the simulations of the electronic spectrum via ab initio excited state optimizations and Franck-Condon calculations are precise enough to assign the observed electronic spectrum to one of the isomers.

  3. Halogenated salicylaldehyde azines: The heavy atom effect on aggregation-induced emission enhancement properties

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Xiao-tong, E-mail: chenxiaotong@tsinghua.edu.cn [Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084 (China); Tong, Ai-jun [Key Laboratory of Bioorganic Phosphorus Chemistry and Chemical Biology (Ministry of Education), Department of Chemistry, Tsinghua University, Beijing 100084 (China)

    2014-01-15

    This study investigates the heavy-atom effect (HAE) on aggregation-induced emission enhancement (AIEE) properties of salicylaldehyde azines. For this purpose, a series of halogenated salicylaldehyde azine derivatives, namely, chloro-salicylaldehyde azine (1), bromo-salicylaldehyde azine (2) and iodo-salicylaldehyde azine (3) are synthesized. 1 and 2 display typical AIEE characteristics of salicylaldehyde azine compounds; whereas for the iodo-substituent in 3, is found to be effective “external” heavy atom quenchers to salicylaldehyde azine fluorescence in aggregated state. Based on its weak fluorescence in aggregated state and relative strong fluorescence in dispersed state, 3 can also be applied as a turn-on fluorescence probe for egg albumin detection attributed to hydrophobic interaction. -- Highlights: • This study investigates the heavy-atom effect (HAE) on aggregation-induced emission enhancement (AIEE) properties of salicylaldehyde azines. • Chloro- and bromo-salicylaldehyde display typical AIEE properties of salicylaldehyde azine, whereas the iodo-substitute quenches AIEE in aggregated state. • Iodo-salicylaldehyde can be applied as a turn-on fluorescence probe for egg albumin detection attributed to hydrophobic interaction.

  4. Synthesis of Unsymmetrical Bissalicylaldimine Ligands and bis-Schiff Base Cobalt Complexes with Benzo-10-aza-15-crown-5 Pendant

    Institute of Scientific and Technical Information of China (English)

    LI Jian-Zhang; XU Bin; FENG Fa-Mei; ZHOU Bo; QIN Sheng-Ying

    2007-01-01

    Novel unsymmetrical bissalicylaldimine bis-Schiff bases with a benzo-10-aza-15-crown-5 pendant and their cobalt complexes have been synthesized via condensation of 3 or 5-[(benzo-10-aza-15-crown-5)-10-ylmethyl] salicylaldehyde with the half unit Schiff bases and characterized by 1H NMR, IR, mass spectroscopy, elemental analysis, molar conductances and molar magnetic susceptibility.

  5. Syntheses of Nickel (II Complexes from Novel Semicarbazone Ligands with Chloroformylarylhydrazine, Benzimidazole and Salicylaldehyde Moieties

    Directory of Open Access Journals (Sweden)

    Mei-Hsiu Shih

    2015-03-01

    Full Text Available This study addressed the design and syntheses of diverse ligands, which were then successfully treated with Ni (II ion to afford a series of nickel complexes. α-Chloroformylarylhydrazine hydrochlorides 6 contain two different functional groups. One is a strong nucleophile, and the other is a good electrophile. Therefore, it can be designed to react with several reagents to obtain diverse derivatives which can be used as ligands for metal complexes. Furthermore, benzimidazole and salicylaldehyde can provide electron donor sites, N and O electron donors, separately. Hence, the starting materials α-chloroformylarylhydrazine hydrochlorides 6 were first treated with 2-(aminomethyl-benzimidazole (7 to give the corresponding semicarbazides 8. Then, the semicarbazides 8 reacted with various substituted salicylaldehydes 9–11 to afford the desired substituted-salicylaldehyde 2-aryl-4-substituted semicarbazones 12–14, which could coordinate with nickel (II ion to give the corresponding nickel complexes 15–17.

  6. Reactions of salicylaldehyde and enolates or their equivalents: versatile synthetic routes to chromane derivatives

    Directory of Open Access Journals (Sweden)

    Ishmael B. Masesane

    2012-12-01

    Full Text Available The reported methodologies for the synthesis of chromane derivatives through the reaction of salicylaldehyde and enolates are discussed. The enolates and their equivalents involved in the reactions discussed in this article were derived from ketones, nitroalkanes, malononitrile and α,β-unsaturated compounds.

  7. BIS 220 Tutorials /bis220dotcom

    OpenAIRE

    ramya85

    2015-01-01

    BIS 220 Entire Course   For more course tutorials visit www.bis220.com   BIS 220 Week 1 Individual Assignment Information Technology Acts Paper BIS 220 Week 1 DQ 1 BIS 220 Week 1 DQ 2 BIS 220 Week 2 LT Reflection Summary BIS 220 Week 2 Individual Assignment Information Systems Proposal BIS 220 Week 2 DQ 1 BIS 220 Week 2 DQ 2 BIS 220 Week 3 Individual Assignment Types of Electronic Commerce Activity BIS 220 Week 3 LT Reflection Summ...

  8. BIS 220 Tutorials / bis220dotcom

    OpenAIRE

    rajitha82

    2015-01-01

    BIS 220 Entire Course   For more course tutorials visit www.bis220.com   BIS 220 Week 1 Individual Assignment Information Technology Acts Paper BIS 220 Week 1 DQ 1 BIS 220 Week 1 DQ 2 BIS 220 Week 2 LT Reflection Summary BIS 220 Week 2 Individual Assignment Information Systems Proposal BIS 220 Week 2 DQ 1 BIS 220 Week 2 DQ 2 BIS 220 Week 3 Individual Assignment Types of Electronic Commerce Activity BIS 220 Week 3 LT Reflection Summ...

  9. Spectroscopic analyses on interaction of Amantadine-Salicylaldehyde, Amantadine-5-Chloro-Salicylaldehyde and Amantadine-o-Vanillin Schiff-Bases with bovine serum albumin (BSA)

    Science.gov (United States)

    Wang, Zhiqiu; Gao, Jingqun; Wang, Jun; Jin, Xudong; Zou, Mingming; Li, Kai; Kang, Pingli

    2011-12-01

    In this work, three Tricyclo [3.3.1.1(3,7)] decane-1-amine (Amantadine) Schiff-Bases, Amantadine-Salicylaldehyde (AS), Amantadine-5-Chloro-Salicylaldehyde (AS-5-C) and Amantadine-o-Vanillin (AS-o-V), were synthesized by direct heating reflux method in ethanol solution and characterized by infrared spectrum and elementary analysis. Fluorescence quenching was used to study the interaction of these Amantadine Schiff-Bases (AS, AS-5-C and AS-o-V) with bovine serum albumin (BSA). According to fluorescence quenching calculations the bimolecular quenching constant ( Kq), apparent quenching constant ( KSV), effective binding constant ( KA) and corresponding dissociation constant ( KD), binding site number ( n) and binding distance ( r) were obtained. The results show that these Amantadine Schiff-Bases can obviously bind to BSA molecules and the binding strength order is AS < AS-5-C = AS-o-V. Synchronous fluorescence spectroscopy reveals that these Amantadine Schiff-Bases adopt different way to bind with BSA molecules. That is, the AS and AS-5-C are accessibility to tryptophan (Trp) residues more than the tyrosine (Tyr) residues, while the AS-o-V is equally close to the Tyr and Trp residues.

  10. Dioxouranium(VI) heterochelates

    Energy Technology Data Exchange (ETDEWEB)

    Syamal, A. (Regional Engineering Coll., Kurukshetra (India). Dept. of Chemistry); Kumar, D. (Kurukshetra Univ. (India). Dept. of Applied Sciences and Humanities)

    1982-01-01

    The paper describes the synthesis and characterization of new dioxouranium(VI) heterochelates, the ligands used being orthophenanthroline, 2,2'-dipyridyl, 3-aminopyridine, orthophenylenediamine, ethylenediamine, trimethylenediamine, tetramethylenediamine, hexamethylenediamine and the Schiff base derived from benzoylhydrazide and salicylaldehyde.

  11. Synthesis and anion recognition studies of novel bis (4-hydroxycoumarin) methane azo dyes

    Science.gov (United States)

    Panitsiri, Amorn; Tongkhan, Sukanya; Radchatawedchakoon, Widchaya; Sakee, Uthai

    2016-03-01

    Four new bis (4-hydroxycoumarin) methane azo dyes were synthesized by the condensation of 4-hydroxycoumarin with four different azo salicylaldehydes and their structures were characterized by FT-IR, 1H NMR, 13C NMR, HRMS. Anion binding ability in dimethyl sulfoxide (DMSO) solutions with tetrabutylammonium (TBA) salts (F-, Cl-, Br-, I-, AcO- and H2PO4-) was investigated by the naked eye, as well as UV-visible spectroscopy. The sensor shows selective recognition towards fluoride and acetate. The binding affinity of the sensors with fluoride and acetate was calculated using UV-visible spectroscopic technique.

  12. Transition Metal Complexes of 5-bromo Salicylaldehyde-2-furoic acid hydrazide; Synthesis and Characterisation

    Directory of Open Access Journals (Sweden)

    MANISH KUMAR

    2012-12-01

    Full Text Available A series of transition metal complexes of the ligand 5-bromo salicylaldehyde-2-furoic acid hydrazide have been prepared using Ti(III, Mn(III, V(III, Co(III, Fe(III, Ru(III and Rh(III. The complexes have been characterized by elemental analyses, melting points, molar conductance, magnetic susceptibility measurement, electronic and infra red spectral studies. Based on these studies octahedral structures have been proposed for these complexes. The ligand has behaved in dibasic tridentate manner. The I.R. spectra of the complexes revealed non-participation of furan ring oxygen in coordination with the metal ions.

  13. Interaction of dinuclear cadmium(II) 5-Cl-salicylaldehyde complexes with calf-thymus DNA.

    Science.gov (United States)

    Ristovic, Maja Sumar; Zianna, Ariadni; Psomas, George; Hatzidimitriou, Antonios G; Coutouli-Argyropoulou, Evdoxia; Lalia-Kantouri, Maria

    2016-04-01

    Five dinuclear Cd(II) complexes with the anion of 5-Cl-salicylaldehyde (5-Cl-saloH) were synthesized in the absence or presence of the α-diimines: 2,2'-bipyridine (bipy), 1,10-phenanthroline (phen), 2,9-dimethyl-1,10-phenanthroline (neoc) or 2,2'-dipyridylamine (dpamH) and characterized as [Cd(5-Cl-salo)2(CH3OH)]2 (1), [Cd(5-Cl-salo)2(bipy)]2 (2), [Cd(5-Cl-salo)2(phen)]2 (3), [Cd(5-Cl-salo)(neoc)(ONO2)]2 (4) and [Cd(5-Cl-salo)(dpamΗ)(ONO2)]2 (5). The complexes were characterized by spectroscopic techniques (IR, UV-vis, (1)H-NMR and (13)C-NMR), elemental analysis and molar conductivity measurements. The structures of four complexes (1-3 and 5) were determined by X-ray crystallography, providing all three possible coordination modes of the ligand 5-Cl-salicylaldehyde, i.e. bidentate or tridentate chelating and/or bridging mode. The complexes bind to calf-thymus (CT) DNA mainly by intercalation, as concluded by the viscosity measurements and present relatively high DNA-binding constants. The complexes exhibit significant ability to displace ethidium bromide (EB) from the EB-DNA complex, thus indirectly proving the intercalation as the most possible binding mode to CT DNA.

  14. BIS 220 Uop Material-bis220dotcom

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    greenappled

    2015-01-01

    BIS 220 Entire Course For more course tutorials visit www.bis220.com BIS 220 Week 1 Individual Assignment Information Technology Acts Paper BIS 220 Week 1 DQ 1 BIS 220 Week 1 DQ 2 BIS 220 Week 2 LT Reflection Summary BIS 220 Week 2 Individual Assignment Information Systems Proposal BIS 220 Week 2 DQ 1 BIS 220 Week 2 DQ 2 BIS 220 Week 3 Individual Assignment Types of Electronic Commerce Activity BIS 220 Week 3 LT Reflection Summary BIS 220 Week 3...

  15. Tin(II) Selective PVC Membrane Electrode Based on Salicylaldehyde Thiosemicarbazone as an Ionophore

    OpenAIRE

    Sulekh Chandra; Kusum Sharma; Adarsh Kumar

    2013-01-01

    A polymeric membrane-based tin selective electrode was developed by using salicylaldehyde thiosemicarbazone (STSC). The best performance was recorded with a membrane composition of PVC : TBP : ionophore : NaTPB as 28 : 59 : 8 : 5 (w/w%). The Nernstian slope calculated from the calibration curve for Sn2+ sensor was 28.8 ± 0.4 mV/decade. The detection limit of the sensor was 2.10 × 10−8 M, in the linear concentration range of 1.0 × 10−2−1.1 × 10−7 M. It was relatively fast response time (...

  16. The hydrogen sulfate recognition properties of azo-salicylaldehyde schiff base receptors

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Azo-salicylaldehyde Schiff base-typed receptors containing an acidic H-bond donor moiety were syn-thesized and characterized. The UV-Vis data indicate that these receptors could act as selective col-orimetric sensors for basic anions and acidic species hydrogen sulfate by different color changes in a water-containing medium. The experiment of Brφnsted acid-base reaction by adding the sodium hy-droxide or perchloric acid revealed that the mechanism of recognition of anions might be deprotona-tion/protonation of the OH fragments by interacting with different anions and that the deprotona-tion/protonation process is fully reversible. The deprotonation/protonation of the receptors is respon-sible for the dramatic color change.

  17. The hydrogen sulfate recognition properties of azo-salicylaldehyde schiff base receptors

    Institute of Scientific and Technical Information of China (English)

    WEI TaiBao; WANG Jun; ZHANG YouMing

    2008-01-01

    Azo-salicylaldehyde Schiff base-typed receptors containing an acidic H-bond donor moiety were syn-thesized and characterized. The UV-Vis data indicate that these receptors could act as selective col-orimetric sensors for basic anions and acidic species hydrogen sulfate by different color changes in a water-containing medium, The experiment of Brφnsted acid-base reaction by adding the sodium hy-droxide or perchloric acid revealed that the mechanism of recognition of anions might be deprotona-tion/protonation of the OH fragments by interacting with different anions and that the deprotona-tion/protonation process is fully reversible. The deprotonation/protonation of the receptors is respon-sible for the dramatic color change.

  18. Optical Properties, Electronic Energy Level Structure and Electroluminescent Characteristics of Salicylaldehyde Anil Zinc

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    A new electroluminescent material, salicylaldehyde anil zinc (SAZ) was synthesized, which can form high quality, thermal stability, nano-scale amorphous films by vacuum evaporation. Its structure, thermal stability were characterized by infrared (IR) spectra, differential thermal analysis-thermogravimetry (DTA-TG) analysis,respectively. The optical properties of SAZ were investigated by UV absorption spectra, Photoluminescence (PL) excitation and emission spectra. The highest occupied molecular orbits (HOMO), lowest unoccupied molecular orbits (LUMO) and optical band gap were evaluated by cyclic voltammetry curve and optical absorption band edge. The electroluminescent devices using SAZ as the emissive layer emit green light with a peak wavelength at 509 nm and a brightness of about 3.1 cd/m2.

  19. Crystal Violet Lactone Salicylaldehyde Hydrazone Zn(II) Complex: a Reversible Photochromic Material both in Solution and in Solid Matrix

    OpenAIRE

    Kai Li; Yuanyuan Li; Jing Tao; Lu Liu; Lili Wang; Hongwei Hou; Aijun Tong

    2015-01-01

    Crystal violet lactone (CVL) is a classic halochromic dye which has been widely used as chromogenic reagent in thermochromic and piezochromic systems. In this work, a very first example of CVL-based reversible photochromic compound was developed, which showed distinct color change upon UV-visible light irradiation both in solution and in solid matrix. Moreover, metal complex of CVL salicylaldehyde hydrozone was facilely synthesized, exhibiting reversible photochromic properties with good fati...

  20. Introduction to BIS statistics

    OpenAIRE

    Bank for International Settlements

    2015-01-01

    The BIS has expanded its statistics by publishing additional data, revamping their dissemination and strengthening their policy orientation. This special feature, prepared by members of the BIS Monetary and Economic Department, briefly describes each BIS data set and explains how the statistics can be used for analysis.

  1. Tin(II Selective PVC Membrane Electrode Based on Salicylaldehyde Thiosemicarbazone as an Ionophore

    Directory of Open Access Journals (Sweden)

    Sulekh Chandra

    2013-01-01

    Full Text Available A polymeric membrane-based tin selective electrode was developed by using salicylaldehyde thiosemicarbazone (STSC. The best performance was recorded with a membrane composition of PVC : TBP : ionophore : NaTPB as 28 : 59 : 8 : 5 (w/w%. The Nernstian slope calculated from the calibration curve for Sn2+ sensor was 28.8 ± 0.4 mV/decade. The detection limit of the sensor was 2.10 × 10−8 M, in the linear concentration range of 1.0 × 10−2−1.1 × 10−7 M. It was relatively fast response time (<8 s for concentration ≥1.0×10−4 and <12 s for concentration of ≥1.0×10−6 M and can be used for 9 months without any considerable divergence in potentials. The proposed sensor exhibit relatively good selectivity and high sensitivity for tin(II as other mono-, di-, and trivalent cations and can be used in a pH range of 2.0–8.5. The analytical usefulness of the proposed electrode has been evaluated by its application in the determination of stannous in artificially made samples.

  2. Investigation of the salicylaldehyde thiosemicarbazone scaffold for inhibition of influenza virus PA endonuclease.

    Science.gov (United States)

    Rogolino, Dominga; Bacchi, Alessia; De Luca, Laura; Rispoli, Gabriele; Sechi, Mario; Stevaert, Annelies; Naesens, Lieve; Carcelli, Mauro

    2015-10-01

    The influenza virus PA endonuclease is an attractive target for the development of novel anti-influenza virus therapeutics, which are urgently needed because of the emergence of drug-resistant viral strains. Reported PA inhibitors are assumed to chelate the divalent metal ion(s) (Mg²⁺ or Mn²⁺) in the enzyme's catalytic site, which is located in the N-terminal part of PA (PA-Nter). In the present work, a series of salicylaldehyde thiosemicarbazone derivatives have been synthesized and evaluated for their ability to inhibit the PA-Nter catalytic activity. Compounds 1-6 have been evaluated against influenza virus, both in enzymatic assays with influenza virus PA-Nter and in virus yield assays in MDCK cells. In order to establish a structure-activity relationship, the hydrazone analogue of the most active thiosemicarbazone has also been evaluated. Since chelation may represent a mode of action of such class of molecules, we studied the interaction of two of them, one with and one without biological activity versus the PA enzyme, towards Mg²⁺, the ion that is probably involved in the endonuclease activity of the heterotrimeric influenza polymerase complex. The crystal structure of the magnesium complex of the o-vanillin thiosemicarbazone ligand 1 is also described. Moreover, docking studies of PA endonuclease with compounds 1 and 2 were performed, to further analyse the possible mechanism of action of this class of inhibitors. PMID:26323352

  3. Hydrogen bonding and solution state structure of salicylaldehyde-4-phenylthiosemicarbazone: A combined experimental and theoretical study

    Science.gov (United States)

    Novak, Predrag; Pičuljan, Katarina; Hrenar, Tomica; Biljan, Tomislav; Meić, Zlatko

    2009-02-01

    Hydrogen bonding in salicylaldehyde-4-phenylthiosemicarbazone ( 1) has been studied by using experimental (NMR, Raman and UV spectroscopies) and quantum chemical (DFT) methods. It has been demonstrated that 1 adopted the hydroxy-thione tautomeric form in solution as found also in the solid state and previously indicated by secondary deuterium isotope effects. Apart from the intra-molecular hydrogen bonds new interactions between 1 and solvent molecules were formed as well. Changes in NMR chemical shifts and calculations have pointed towards a formation of inter-molecular three-centered hydrogen bonds in each of the studied complexes involving OH and NH groups of 1 and associated solvent molecules. Stabilization energies of intra-molecular hydrogen bonds were found to decrease with the increase of the solvent polarity. Two-dimensional NOESY spectra indicated conformational changes in solution with respect to the structure observed in the solid state. These were accounted for by a relatively low barrier of the rotation of the N sbnd N single bond thus enabling a molecule to posses a higher conformational flexibility in solution with portions of skewed conformations. The results presented here can help in a better understanding of the role hydrogen bonds can play in bioactivity of related thiosemicarbazone derivatives and their metal complexes.

  4. Long-living structures of photochromic salicylaldehyde azine: polarity and viscosity effects from nanoseconds to hours.

    Science.gov (United States)

    Ziółek, Marcin; Burdziński, Gotard; Douhal, Abderrazzak

    2012-08-01

    In this study, we report on the effects of solvent viscosity and polarity on the photochromic salicylaldehyde azine (SAA) molecule by examining the steady-state and UV-visible absorption results in the time scale from nanoseconds to hours, in solution and in a polymer film. For the neutral structure, the viscosity strongly affects the lifetime of the photochromic (trans-keto) tautomer by suppressing the second order quenching process, and thus increasing the photochrome lifetimes in highly viscous solvents to 500 μs in polar triacetine, and to 65 μs in non-polar squalane. Trapping SAA in a non-polar polymer film (polyethylene) results in further elongation of the photochromic lifetime (700 μs) by one order of magnitude (with respect to that in squalane), due to the retardation of the intramolecular back-isomerization. Another species, living significantly longer and absorbing more in the UV comparing to the photochrome, was identified as the syn-enol tautomer. The lifetime of this tautomer, created in a competitive mechanism to the photochrome creation, is much longer in non-polar solvents (hundreds of minutes) than in polar ones (tens of minutes), opposite to the trend observed for the photochrome. For the SAA anion, the transient living on the ns-μs time scale can be exclusively assigned to the triplet state, which is not observed for the neutral form at room temperature.

  5. Functionalities of conjugated compounds of γ-aminobutyric acid with salicylaldehyde or cinnamaldehyde.

    Science.gov (United States)

    Liu, Tai-Ti; Tseng, Yi-Wei; Yang, Tsung-Shi

    2016-01-01

    Aldehydes or ketones can react with amino compounds to form Schiff base adducts, which have been widely studied and shown to exhibit antimicrobial, antioxidant or antiviral activity. Salicylaldehyde (SA) and cinnamaldehyde (CA) are components of plant essential oils. γ-Aminobutyric acid (GA) is an important substance in the mammalian central nervous system and responsible for many bioactivities. This study aimed to synthesize functional Schiff base adducts using GA and SA or CA; to study the antimicrobial activity, antioxidant activity and tyrosinase-inhibition activity of these adducts (SA-GA and CA-GA) and their metal complexes--SA-GA-Cu (or Zn) and CA-GA-Cu (or Zn); and to find their applications in food systems. SA-GA and CA-GA both exhibited good antibacterial effects, and so did their Cu complexes. As for antioxidant activity, SA-GA and CA-GA were superior to their metal complexes in most tests. Regarding inhibition of enzymatic browning of mushrooms, both SA-GA-Cu and CA-GA-Cu could inhibit tyrosinase activity effectively.

  6. Comparing of 5-Nonylsalicylaldoxime and Salicylaldehyde Characterization Using Magnesium Salt Formylation Process

    International Nuclear Information System (INIS)

    5-Nonylsalicylaldoxime and salicylaldehyde are two derivatives of phenolic compounds which are very applicable materials in industries. Formerly the formylation of phenolic derivatives were carried out by Rimer-Tiemann method. In this work both of these two materials were synthesized by magnesium meditated formylation technique and their structural characterizations were compared by instrumental analysis technique. In order to achieve a selectively orthoformylated product, the hydroxyl group of nonylphenol (or phenol) was first modified by magnesium methoxide. The nonylphenol magnesium salt was then formylated by paraformaldehyde. The oximation reaction was finally applied to the prepared non-ylsalicylaldehyde magnesium salt by liquid extracting via water and acid washing and other extractions. The solvent was finally removed by evaporation under reduced pressure. Some instrumental analysis such as 1H-NMR, GC/MS and FT-IR spectra were taken on the product in order to interpret the reaction characterization quantitatively and qualitatively. The formaldehyde and oxime functional groups of two compounds were investigated through 1H-NMR and FT-IR spectra and were compared. The yield of methoxilation was very good and the yields of formylation and oximation reactions were about 90% and 85% respectively. The orthoselectivity of formylation reaction were evaluated by comparing of the relevant spectra. The GC/MS spectra also confirmed the obtained results

  7. Photoelectrochemical oxidation of salicylic acid and salicylaldehyde on titanium dioxide nanotube arrays

    International Nuclear Information System (INIS)

    We report on the kinetics of photoelectrochemical oxidation of salicylic acid (SA) and salicylaldehyde (SH) on titanium dioxide nanotube arrays. The TiO2 nanotubes were prepared by the electrochemical oxidation of titanium substrates in a nonaqueous electrolyte (DMSO/HF). Scanning electron microscopy (SEM) was employed to examine the morphology of the formed nanotubes. Linear voltammetry was used to study the electrochemical and photoelectrochemical behavior of the synthesized TiO2 nanotube arrays. The photoelectrochemical oxidation of SA and SH on the TiO2 nanotubes was monitored by in situ UV-vis spectroscopy, showing that the kinetics of the photoelectrochemical oxidation of SA and SH follows pseudo first-order and that the rate constant of SH oxidation is 1.5 times larger than that of SA degradation. Quantum chemical calculations based on the DFT method were performed on SA and SH to address the large difference in kinetics. The relatively higher ELUMO - EHOMO makes SA more stable and thus more difficult to be oxidized photoelectrochemically. The impact of temperature and initial concentrations on the kinetics of SA and SH photoelectrochemical degradation was also investigated in the present work.

  8. Reactivity of sarcosine and 1,3-thiazolidine-4-carboxylic acid towards salicylaldehyde-derived alkynes and allenes

    OpenAIRE

    Laia, Fernanda M. Ribeiro; Gomes, Clara S. B.; Melo, Teresa M.V.D. Pinho e

    2013-01-01

    The reaction of sarcosine and 1,3-thiazolidine-4-carboxylic acid with salicylaldehyde-derived alkynes and allenes opened the way to new chromeno[4,3-b]pyrrole and chromeno[2,3-b]pyrrole derivatives. Tetrahydro-chromeno[4,3-b]pyrroles were obtained from the reaction of these secondary amino acids with O-propargylsalicylaldehyde. Interestingly, sarcosine reacted with ethyl 4-(2-formylphenoxy)but-2-ynoate to give a monocyclic pyrrole resulting from rearrangement of the initially formed 1,3-dipol...

  9. Crystal Violet Lactone Salicylaldehyde Hydrazone Zn(II) Complex: a Reversible Photochromic Material both in Solution and in Solid Matrix

    Science.gov (United States)

    Li, Kai; Li, Yuanyuan; Tao, Jing; Liu, Lu; Wang, Lili; Hou, Hongwei; Tong, Aijun

    2015-09-01

    Crystal violet lactone (CVL) is a classic halochromic dye which has been widely used as chromogenic reagent in thermochromic and piezochromic systems. In this work, a very first example of CVL-based reversible photochromic compound was developed, which showed distinct color change upon UV-visible light irradiation both in solution and in solid matrix. Moreover, metal complex of CVL salicylaldehyde hydrozone was facilely synthesized, exhibiting reversible photochromic properties with good fatigue resistance. It was served as promising solid material for photo-patterning.

  10. Reversible photochromic system based on rhodamine B salicylaldehyde hydrazone metal complex.

    Science.gov (United States)

    Li, Kai; Xiang, Yu; Wang, Xiaoyan; Li, Ji; Hu, Rongrong; Tong, Aijun; Tang, Ben Zhong

    2014-01-29

    Photochromic molecules are widely applied in chemistry, physics, biology, and materials science. Although a few photochromic systems have been developed before, their applications are still limited by complicated synthesis, low fatigue resistance, or incomplete light conversion. Rhodamine is a class of dyes with excellent optical properties including long-wavelength absorption, large absorption coefficient, and high photostability in its ring-open form. It is an ideal chromophore for the development of new photochromic systems. However, known photochromic rhodamine derivatives, such as amides, exhibit only millisecond lifetimes in their colored ring-open forms, making their application very limited and difficult. In this work, rhodamine B salicylaldehyde hydrazone metal complex was found to undergo intramolecular ring-open reactions upon UV irradiation, which led to a distinct color and fluorescence change both in solution and in solid matrix. The complex showed good fatigue resistance for the reversible photochromism and long lifetime for the ring-open state. Interestingly, the thermal bleaching rate was tunable by using different metal ions, temperatures, solvents, and chemical substitutions. It was proposed that UV light promoted isomerization of the rhodamine B derivative from enol-form to keto-form, which induced ring-opening of the rhodamine spirolactam in the complex to generate color. The photochromic system was successfully applied for photoprinting and UV strength measurement in the solid state. As compared to other reported photochromic molecules, the system in this study has its advantages of facile synthesis and tunable thermal bleaching rate, and also provides new insights into the development of photochromic materials based on metal complex and spirolactam-containing dyes. PMID:24397593

  11. Crystal structure of tris(pyridine(salicylaldehyde semicarbazonato(2-cobalt(III-trichloropyridinecobaltate(II at 293 and 120 K

    Directory of Open Access Journals (Sweden)

    GORAN A. BOGDANOVIC

    2007-01-01

    Full Text Available The crystal structure of [CoIII(L(py3][CoIICl3(py[ (H2L = salicylaldehyde semicarbazonewas determined by X-ray analysis based on two single crystal X-ray experiments performed at 120 K and 293 K, respectively. It was found that the pyridine ligand of the complex anion is disordered over two positions. The preferential position of this pyridine found at120Kwas explained in terms of the C–H...Cl intermolecular interaction between the tetrahedral [CoII(pyCl3]- anions. The mer-octahedral geometry of the cation in the presented crystal structure was compared with previously published structures of similar composition, [CoIII(L1(py3]+[CoIICl3(py]-·EtOH and [CoIII(LI(py3]+I3- (H2LI = salicylaldehyde S-methylisothiosemicarbazone. Although the tetrahedral [CoIICl3(py]- anions possess the same charge, they mutually form different intermolecular interactions which can be realized either by C–H...Cl hydrogen bonds or by p-p interactions between the pyridine rings.

  12. Simultaneous spectrophotometric determination of molybdenum and iron with salicylaldehyde thiosemicarbazone, and application to the analysis of steels

    International Nuclear Information System (INIS)

    Salicylaldehyde thiosemicarbazone reacts with molybdenum(VI) in mineral acid solution, in the presence of stannous chloride, to produce a 1:1 red-violet complex (lambdasub(max)=520 nm, epsilon=4.8x103 l.mole-1.cm-1). Iron (II and III) forms a green 1:2 complex, in ammonia-ammonium chloride solution (lambdasub(max)=590 nm, epsilon=1.7x103 l.mole-1.cm-1). Both complexes have been used with success in the photometric estimation of molybdenum and iron in mixtures. Molybdenum may be determined in presence of 40 times its weight of iron. Iron may be determined in presence of twice its weight of molybdenum. The reagent can be applied to the analysis of steels. The interferences of some metallic ions have been examined

  13. Thermodynamics of the complexation between salicylaldehyde thiosemicarbazone with Cu2+ ion in methanol +1,4-dioxane binary solutions

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    Biswas Rashmidipta

    2014-01-01

    Full Text Available The complexation reaction between salicylaldehyde thiosemicarbazone, abbreviated as STSC, with Cu2+ ion was studied in the binary mixtures of methanol + 1,4-dioxane binary by using UV-Visible spectrophotometric and conductometric methods at different temperatures. The formation constants (Kf for the 1:1 complex, Cu2+-STSC, were calculated from computer fitting of the absorbance and molar conductance data against various mole ratios (cM:cL or cL:cM in different binary solvent mixtures. A non-linear correlation was observed for the variation of logKf for the complex against the solvent compositions. Various thermodynamic parameters (ΔH, ΔS and ΔG for the formation of Cu2+-STSC complex were also determined from the temperature dependence of the stability constants (Kf. The results showed that the complexation reaction is affected by the nature and composition of the mixed solvents.

  14. A novel and facile synthesis of 3-(2-benzofuroyl- and 3,6-bis(2-benzofuroylcarbazole derivatives

    Directory of Open Access Journals (Sweden)

    Wentao Gao

    2011-11-01

    Full Text Available A facile synthesis of hitherto unreported 3-(2-benzofuroylcarbazoles 3a–k, 3,6-bis(2-benzofuroylcarbazoles 5a–k, and naphtho[2,1-b]furoylcarbazoles 3l and 5l is described. The synthesis mainly relies on the ultrasound-assisted Rap–Stoermer reaction of 3-chloroacetyl- (1 or 3,6-dichloroacetyl-9-ethyl-9H-carbazole (4 with various salicylaldehydes 2a–k as well as 2-hydroxy-1-naphthaldehyde (2l in CH3CN with the presence of PEG-400 as catalyst. The procedure offers easy access to benzofuroylcarbazoles in short reaction times and the products are obtained in moderate to good yields.

  15. New turn-on fluorescent and colorimetric probe for cyanide detection based on BODIPY-salicylaldehyde and its application in cell imaging.

    Science.gov (United States)

    Sukato, Rangsarit; Sangpetch, Nuanphan; Palaga, Tanapat; Jantra, Suthikorn; Vchirawongkwin, Viwat; Jongwohan, Chanantida; Sukwattanasinitt, Mongkol; Wacharasindhu, Sumrit

    2016-08-15

    Development of cyanide sensor is important as the anion is harmful to human health and the environment. Herein, a new colorimetric and fluorescent probe GSB based on boron dipyrrole-methene (BODIPY) containing salicylaldehyde group for cyanide detection has been reported. GSB undergoes exclusive colorimetric change from orange to colorless and exhibits selective fluorescence turn-on at 504nm upon the addition of cyanide. Other 13 anions give almost no interference under physiological condition. Detection limit of the new cyanide-sensing GSB is 0.88μM, which is below World Health Organization (WHO) recommended level in drinking water. A calculation by density functional theory (DFT) shows suppression of photoinduced electron transfer (PET) mechanism along with the interruption of π-conjugation between salicylaldehyde and BODIPY core by cyanide anion. Cell imaging studies demonstrated that GSB is compatible and capable of sensing cyanide anion in living cells. PMID:27136733

  16. The unexpected influence of aryl substituents in N-aryl-3-oxobutanamides on the behavior of their multicomponent reactions with 5-amino-3-methylisoxazole and salicylaldehyde

    Directory of Open Access Journals (Sweden)

    Volodymyr V. Tkachenko

    2014-12-01

    Full Text Available The switchable three-component reactions of 5-amino-3-methylisoxazole, salicylaldehyde and N-aryl-3-oxobutanamides under different conditions were studied and discussed. The unexpected influence of the aryl substituent in N-aryl-3-oxobutanamides on the behavior of the reaction was discovered. The key influence of ultrasonication and Lewis acid catalysts led to an established protocol to selectively obtain two or three types of heterocyclic scaffolds depending on the substituent in the N-aryl moiety.

  17. Expression, purification and preliminary crystallographic studies of NahF, a salicylaldehyde dehydrogenase from Pseudomonas putida G7 involved in naphthalene degradation

    International Nuclear Information System (INIS)

    NahF is a salicylaldehyde dehydrogenase that is involved in the naphthalene-degradation pathway, converting salicylaldehyde into salicylate. The subcloning, expression, purification and preliminary X-ray diffraction studies at 2.42 Å resolution of P. putida G7 NahF are reported. Pseudomonas putida G7 is one of the most studied naphthalene-degrading species. The nah operon in P. putida, which is present on the 83 kb metabolic plasmid NAH7, codes for enzymes involved in the conversion of naphthalene to salicylate. The enzyme NahF (salicylaldehyde dehydrogenase) catalyzes the last reaction in this pathway. The nahF gene was subcloned into the pET28a(TEV) vector and the recombinant protein was overexpressed in Escherichia coli Arctic Express at 285 K. The soluble protein was purified by affinity chromatography followed by gel filtration. Crystals of recombinant NahF (6×His-NahF) were obtained at 291 K and diffracted to 2.42 Å resolution. They belonged to the hexagonal space group P6422, with unit-cell parameters a = b = 169.47, c = 157.94 Å. The asymmetric unit contained a monomer and a crystallographic twofold axis generated the dimeric biological unit

  18. Synthesis, Thermal, Electrical and Catalytic Studies of Some Transition Metal Polychelates of Bis-bidentate Schiff Base

    Institute of Scientific and Technical Information of China (English)

    BANSOD Ashish; ASWAR Anand

    2007-01-01

    Polychelates of Mn(Ⅱ),Fe(Ⅱ),Co(Ⅱ), Ni(Ⅱ),Cu(Ⅱ),Zn(Ⅱ) and Cd(Ⅱ) with the bis salen-type ligand derivedfrom 4,4'-bis[(salicylaldehyde-5)azo]biphenyl and 1,4-diaminobutane have been synthesized.All the polychelates have been characterized by elemental analysis,magnetic susceptibility measurements,IR,electronic spectra and thermogravimetric studies.All the complexes isolated in solid state are dark coloured and insoluble in water and common organic solvents.The ligand behaves as a bis-bidentate molecule coordinating through the phenolic oxygen and azomethine nitrogen atoms.The thermal decomposition of these metal complexes was investigated by thermogravimetric analysis and data have been analyzed for kinetic parameters using Broido equation.The solid-state electrical conductivity of the ligand and its polychelates in the form of compressed pellet was studied in the temperature range from 313 to 413 K.All the polychelates were found to show semiconducting nature.The Mn(Ⅱ),Fe(Ⅱ),Co(Ⅱ) and Ni(Ⅱ) polychelates have been assessed for the catalytic epoxidation of styrene.

  19. Binuclear Cu(II and Co(II Complexes of Tridentate Heterocyclic Shiff Base Derived from Salicylaldehyde with 4-Aminoantipyrine

    Directory of Open Access Journals (Sweden)

    Omar Hamad Shihab Al-Obaidi

    2012-01-01

    Full Text Available New binuclear Co(II and Co(II complexes of ONO tridentate heterocyclic Schiff base derived from 4-aminoantipyrine with salicylaldehyde have been synthesized and characterized on the bases of elemental analysis, UV-Vis., FT-IR, and also by aid of molar conductivity measurements, magnetic measurements, and melting points. It has been found that the Schiff bases with Cu(II or Co(II ion forming binuclear complexes on (1 : 1 “metal : ligand” stoichiometry. The molar conductance measurements of the complexes in DMSO correspond to be nonelectrolytic nature for all prepared complexes. Distorted octahedral environment is suggested for metal complexes. A theoretical treatment of the formation of complexes in the gas phase was studied, and this was done by using the HyperChem-6 program for the molecular mechanics and semi-empirical calculations. The free ligand and its complexes have been tested for their antibacterial activities against two types of human pathogenic bacteria: the first type (Staphylococcus aureus is Gram positive and the second type (Escherichia coli is Gram negative (by using agar well diffusion method. Finally, it was found that compounds show different activity of inhibition on growth of the bacteria.

  20. Synthesis, structural, antibacterial and spectral studies of Co (II) complexes with salicylaldehyde and p-chloro-benzaldehyde 4-phenyl thiosemicarbazone

    International Nuclear Information System (INIS)

    The Co(II) complexes derived from salicylaldehyde 4-phenyl thiosemicarbazone; SaOHtsc, p-chlorobenzaldehyde 4-phenyl thiosemicarbazone; ph-HClbtsc is reported and characterized based on elemental analysis, IR, magnetic susceptibility measurement, 1H and 13C NMR spectra. The Co(II) complexes have the molecular formula CoL2 where the ligand corresponding to SaOHtsc and ph-HClbtsc. The elemental analysis for the ligands and complexes were in a good agreement with the theoretical values. The ligands coordinate to metal ions in different ways which is through mono negative bidentate or di negative tridentate. The magnetic susceptibility measurements showed that the CoL2 complexes with ligand SaOHtsc are diamagnetic thus making this complexes suitable for NMR studies. The signals at the 10.04 ppm were assigned to N2H in the 1H-NMR spectra of the free ligands was absent in the spectra of the complexes due to the deprotonation of the N2H and coordination to the metal centres. The absence of the band in IR spectrum which is assigned to v(N2-H) in the spectra of CoL2 complexes is due to the deprotonation of the ligands upon complexation through azomethine nitrogen and thionic sulphur atom to metal ion. The thiosemicarbazones and its Co(II) complexes showed moderate inhibitory against bacteria Bacillus Subtilis, Staphylococcus Epidermis, Escherichia Coli and Proteus Mirabilis in 10 μg/ disc. (author)

  1. Determination of trace platinum by supramolecular catalytic kinetic spectrofluorimetry of {beta}-cyclodextrin-platinum-KBrO{sub 3}-salicylaldehyde furfuralhydrazone

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Bo; Zhang, Ning; Chen, Zhen-Zhen; Kong, Qing-Cheng [Shandong Normal University, College of Chemistry, Chemical Engineering and Materials Science, Jinan (China)

    2006-02-01

    A supramolecular catalytic kinetic spectrofluorimetric method was developed for the determination of platinum(IV) and the possible mechanism of catalytic reaction was discussed. The method was based on the fluorescence-enhancing reaction of salicylaldehyde furfuralhydrazone (SAFH) with potassium bromate, which was catalysed by platinum(IV) in a water-ethanol medium. {beta}-Cyclodextrin ({beta}-CD) obviously sensitized the determination at pH 5.20 and 25 C. Under optimum conditions, the {beta}-CD-platinum-KBrO{sub 3}-SAFH supramolecular kinetic catalytic reaction system had excitation and emission maxima at 372 and 461 nm, respectively. The linear range of this method was 0.60-180 ng ml{sup -1} with a relative standard deviation of 1.2%, and the detection limit was 0.18 ng ml{sup -1}. Investigation of the mechanism and the effects of interferences is presented. The proposed method was applied successfully to determine trace platinum(IV) in the chemotherapeutic drug cisplatin and serum from patients with satisfactory results. (orig.)

  2. Transition metal complexes with thiosemicarbazide-based ligands. Part46. Synthesis and physico-chemical characterization of mixed ligand cobalt(III-complexes with salicylaldehyde semi-, thiosemi- and isothiosemicarbazone and pyridine

    Directory of Open Access Journals (Sweden)

    VUKADIN M. LEOVAC

    2003-12-01

    Full Text Available Mixed ligand octahedral cobalt(III complexes with the tridentate salicylaldehyde semi-, thiosemi- and isothiosemicarbazone and pyridine of general formula [CoIII(L11-3(py3]X (H2L1 = salicylaldehyde semicarbazone, X = [CoIICl3(py]-, ClO4- . H2O, I- . 0.5 I2; H2L2 = salicylaldehyde thiosemicarbazone, X = [CoIICl3(py]-, [CoIIBr3(py]-, ClO4- . H2O, I3-; H2L3 = salicylaldehyde S-methylisothiosemicarbazone, X = [ CoIIBr3(py ]-, ClO4- . H2O, BF4- were synthesized. The tridentate coordination of all the three dianionic forms of the ligands involves the phenol oxygen, hydrazine nitrogen and the chalcogen (O or S in case of salicylaldehyde semi-, thiosemicarbazone and the terminal nitrogen atom in the case of isothiosemicarbazone. For all the complexes, a meridial octahedral arrangement is proposed, which is a consequence of the planarity of the chelate ligand. The compounds were characterized by elemental analysis, molar conductivity, magnetic susceptibility, IR and electronic absorption spectra. The thermal decomposition of the complexes was investigated by thermogravimetry, coupled TG-MS measurements and DSC.

  3. Substituierte Erdalkalimetall-bis(pentolide) und –bis(trialkylzinkate)

    OpenAIRE

    Gückel, Christian

    2001-01-01

    Im Gegensatz zu den Alkalimetall-pentoliden erweckt das Gebiet der Erdalkalimetallbis( pentolide) erst seit einigen Jahren das Interesse einiger Arbeitsgruppen. Westerhausen et al. konnten vor einigen Jahren bei der Umsetzung von Diphenylbutadiin mit Calcium- und Strontium-bis[bis(trimethylsilyl)phosphanid] die Bildung von Erdalkalimetall-bis(phospholid) nachweisen. Ein alternativer Weg nutzt die Metallierung von 1-Chlor-substituierten Pentolen durch Erdalkalimetalle zu Nutze. ...

  4. Structure-activity relationships of novel salicylaldehyde isonicotinoyl hydrazone (SIH analogs: iron chelation, anti-oxidant and cytotoxic properties.

    Directory of Open Access Journals (Sweden)

    Eliška Potůčková

    Full Text Available Salicylaldehyde isonicotinoyl hydrazone (SIH is a lipophilic, tridentate iron chelator with marked anti-oxidant and modest cytotoxic activity against neoplastic cells. However, it has poor stability in an aqueous environment due to the rapid hydrolysis of its hydrazone bond. In this study, we synthesized a series of new SIH analogs (based on previously described aromatic ketones with improved hydrolytic stability. Their structure-activity relationships were assessed with respect to their stability in plasma, iron chelation efficacy, redox effects and cytotoxic activity against MCF-7 breast adenocarcinoma cells. Furthermore, studies assessed the cytotoxicity of these chelators and their ability to afford protection against hydrogen peroxide-induced oxidative injury in H9c2 cardiomyoblasts. The ligands with a reduced hydrazone bond, or the presence of bulky alkyl substituents near the hydrazone bond, showed severely limited biological activity. The introduction of a bromine substituent increased ligand-induced cytotoxicity to both cancer cells and H9c2 cardiomyoblasts. A similar effect was observed when the phenolic ring was exchanged with pyridine (i.e., changing the ligating site from O, N, O to N, N, O, which led to pro-oxidative effects. In contrast, compounds with long, flexible alkyl chains adjacent to the hydrazone bond exhibited specific cytotoxic effects against MCF-7 breast adenocarcinoma cells and low toxicity against H9c2 cardiomyoblasts. Hence, this study highlights important structure-activity relationships and provides insight into the further development of aroylhydrazone iron chelators with more potent and selective anti-neoplastic effects.

  5. Mixed ligand complexes of alkaline earth metals: Part XII. Mg(II, Ca(II, Sr(II and Ba(II complexes with 5-chlorosalicylaldehyde and salicylaldehyde or hydroxyaromatic ketones

    Directory of Open Access Journals (Sweden)

    MITHLESH AGRAWAL

    2002-04-01

    Full Text Available The reactions of alkaline earth metal chlorides with 5-chlorosalicylaldehyde and salicylaldehyde, 2-hydroxyacetophenone or 2-hydroxypropiophenone have been carried out in 1 : 1 : 1 mole ratio and the mixed ligand complexes of the type MLL’(H2O2 (where M = Mg(II, Ca(II, Sr(II and Ba(II, HL = 5-chlorosalicylaldehyde and HL’ = salicylaldehyde, 2-hydroxyacetophenone or 2-hydroxypropiophenone have been isolated. These complexes were characterized by TLC, conductance measurements, IR and 1H-NMR spectra.

  6. Spectral and structural studies of copper(II) complexes of thiosemicarbazones derived from salicylaldehyde and containing ring incorporated at N(4)-position

    Science.gov (United States)

    Latheef, Leji; Kurup, Maliyeckal R. Prathapachandra

    2008-06-01

    Mononuclear and binuclear copper(II) complexes ( 1- 8) with two ONS donor thiosemicarbazone ligands {salicylaldehyde 3-hexamethyleneiminyl thiosemicarbazone [H 2L 1] and salicylaldehyde 3-tetramethyleneiminyl thiosemicarbazone [H 2L 2]} have been prepared and physico-chemically characterized. IR, electronic and EPR spectra of the complexes have been obtained. The thiosemicarbazones bind to metal as dianionic ONS donor ligands in all the complexes except in [Cu(HL 1) 2] ( 2) and [Cu(HL 2) 2] ( 6). In compounds 2 and 6 the ligands are coordinated as monoanionic HL - ones. The magnetic susceptibility measurements indicate that all the complexes are paramagnetic. In complex [(CuL 1) 2] ( 1), the magnetic moment value is lower than the expected spin only value. In all the complexes g|| > g⊥ > 2.0023 and G values within the range 2.5-3.5 are consistent with d ground state. The complexes were given the formula as [(CuL 1) 2] ( 1); [Cu(HL 1) 2] ( 2); [CuL 1bpy] ( 3); [CuL 1phen] ( 4); [CuL 1γ-pic]·2H 2O ( 5); [Cu(HL 2) 2] ( 6); [CuL 2py]·3H 2O ( 7); [CuL 2bipy] ( 8). The structure of the compound 8 have been solved by single crystal X-ray crystallography and was found to be distorted square pyramid around copper(II) ion.

  7. Bis(1-adamantylammonium hexafluoridogermanate

    Directory of Open Access Journals (Sweden)

    Liying Cheng

    2008-01-01

    Full Text Available The title compound, (C10H18N2[GeF6], was obtained hydrothermally from an aqueous solution of GeO2, H3BO3, NiCl2, adamantylammonium chloride, butanol and hydrofluoric acid. The structure consists of discrete bis(1-adamantylammonium cations lying on crystallographic mirror planes and hexafluoridogermanate anions disordered about sites of 2/m point symmetry. In the latter, the Ge atom lies on the site of 2/m symmetry, one F atom lies on the mirror plane and two further F atoms are included in general positions with 50% site occupancy. The cations and anions lie in layers with N—H...F hydrogen bonds formed between them.

  8. Transition metal complexes with thiosemicarbazide-based ligands. Part 58. Synthesis, spectral and structural characterization of dioxovanadium(V complexes with salicylaldehyde thiosemicarbazone

    Directory of Open Access Journals (Sweden)

    LJILJANA S. VOJINOVIĆ-JEŠIĆ

    2011-06-01

    Full Text Available The first two complexes of dioxovanadium(V with salicylaldehyde thiosemicarbazone (SALTSC, of the coordination formulas [VO2(SALTSC––H]∙H2O (1 and NH4[VO2(SALTSC–2H] (2, were synthesized and characterized by elemental analysis, conductometric measurements, IR and UV–Vis spectroscopy and X-ray analysis. The complexes were obtained in the reaction of an aqueous ammoniacal solution of NH4VO3 and SALTSC. The results of the characterization showed that SALTSC was coordinated in the usual ONS tridentate mode as monoanion in complex 1 and dianion in complex 2. In both complexes, the vanadium atom is in a deformed square-pyramidal environment and is slightly shifted towards the apical oxo-ligand (» 0.52 Å.

  9. Synthesis and antimicrobial activity of salicylaldehyde-benzylamine Schif base%水杨醛-苄胺席夫碱的合成及其抑菌活性

    Institute of Scientific and Technical Information of China (English)

    杨晓军; 高芬

    2013-01-01

    The synthesis of salicylaldehyde-benzylamine Schif base was introduced. The structure of target molecular was confirmed by element alanysis.IR,1HNMR and MS. The antimicrobial activity indicated that it can effective resistance Pyricularia oryzae.%介绍了水杨醛-苄胺席夫碱的合成,其结构经IR、NMR、MS和元素分析等测试技术进行了确证.用培养皿平板法对标题化合物进行了抗稻瘟病菌试验,结果表明,该化合物对稻瘟病菌具有很好的抗菌活性.

  10. Synthesis, structures, spectroscopy and antimicrobial properties of complexes of copper(II) with salicylaldehyde N-substituted thiosemicarbazones and 2,2'-bipyridine or 1,10-phenanthroline.

    Science.gov (United States)

    Lobana, Tarlok S; Indoria, Shikha; Jassal, Amanpreet Kaur; Kaur, Harpreet; Arora, Daljit S; Jasinski, Jerry P

    2014-04-01

    Among the biometals (Cu, Co, Ni-cofactors in many enzymes), copper derivatives of O, N, S-donor salicylaldehyde thiosemicarbazones have received considerable attention owing to their potential biological applications. Eight new complexes of salicylaldehyde-N-substituted thiosemicarbazones [5-MeO-2-HO-C₆H₄-C(2)(H)N(3)-N(2)H-C(1)(S)-N(1)HR; R = Me, H2L(1); Et, H₂L(1), Ph, H₂L(3), H, H₂L(4)] with copper(II), namely, [Cu(κ(3)-O,N,S-L)( κ(2)-N,N-L')] {(L)(2-) = (L(1))(2-), L' = bipy, 1, phen, 2; (L)(2-) = (L(2))(2-), L' = bipy, 3, phen, 4; (L)(2-) = (L(3))(2-), L' = bipy, 5, phen, 6; (L)(2-) = (L(4))(2-), L' = bipy, 7, phen, 8} have been isolated. Complexes have slightly distorted square pyramidal geometry around the metal center (τ parameter = 0.243-0.357) and display weak to intense fluorescence in the region, 375-475 nm. These copper complexes have shown significant growth inhibitory activity (antimicrobial activity) against Staphylococcus aureus (MTCC740), methicillin resistant Staphylococcus aureus (MRSA), Klebsiella pneumoniae 1 (MTCC109), Shigella flexneri (MTCC1457), Pseudomonas aeruginosa (MTCC741) and Candida albicans (MTCC227). The activity against MRSA is an interesting observation as the commercially available gentamycin is found to be inactive against this bacterial strain. Specifically complex 5 formed by 5-methoxysalicylaldehyde-N-phenylthiosemicatbazone has shown novel antimicrobial activity against various bacteria and yeast investigated. PMID:24583354

  11. Study on the fluorescent chemosensors based on a series of bis-Schiff bases for the detection of zinc(II)

    Science.gov (United States)

    Wang, Wanguan; Li, Rong; Song, Tianwen; Zhang, Chunjiao; Zhao, Yu

    2016-07-01

    In order to study the influence of different substituent groups on the fluorescence properties, a series of bis-Schiff bases (L) with electron-donating groups (salicylaldehyde, o-vanillin, 2,4-dihydroxybenzaldehyde) and electron-drawing group (4-formylbenzoic acid) have been synthesized, and characterized by IR spectrum, NMR, mass spectrum, and fluorescence spectroscopy. The investigation of the fluorescent properties reveals that the fluorescence can be enhanced when the bis-Schiff base ligands with electron-donating groups complex with Zn ion, while other kinds of metal complexes with these ligands do not show any enhancement, whereas no fluorescence enhancement can be observed when the ligand with electron-drawing group complexes with all different types of metal ions. In addition, as for the ligands with electron-donating groups detecting zinc ion, the fluorescence intensity is linear correlated with the concentration of zinc ion. Therefore, the study indicates that the ligands with electron-donating groups can be used as Zn ion fluorescent sensor.

  12. Synthesis of Two Potentially Heptadentate (N4O3 Schiff-base Ligands Derived from Condensation of Tris(3-aminopropyl-amine and Salicylaldehyde or 4-Hydroxysalicylaldehyde. Nickel(II and Copper(II Complexes of the Former Ligand

    Directory of Open Access Journals (Sweden)

    R. V. Parish

    2002-02-01

    Full Text Available Two potentially heptadentate (N4O3 tripodal Schiff-base ligands: tris(3-(salicylideneiminopropylamine (H3L1 and tris(3-(4’-hydroxysalicylideneimino-propylamine (H3L2 have been prepared and characterized by various spectroscopic methods (IR, FAB-MS, NMR. They are derived from the condensation reactions of tris(3-aminopropylamine (tpt, with 3 equivalents of either salicylaldehyde or the ringsubstituted salicylaldehyde, 4-hydroxysalicylaldehyde. The nickel(II and copper(II complexes of H3L1 were obtained from the its reactions Ni(II and Cu(II salts in absolute methanol. These complexes were studied by IR and FAB-Mass spectrometry.

  13. Molybdenum complexes of biochemical interest. New coordination complexes of oxomolybdenum(V) with the tridentate ONO donor Schiff bases derived from salicylaldehydes and ethanolamine

    International Nuclear Information System (INIS)

    New oxomolybdenum(V) complexes MoOClL (where LH2 = Schiff base) derived from ethanolamine and salicylaldehyde, 5-chlorosalicylaldehyde, 5-bromosalicylaldehyde, 5-nitrosalicylaldehyde, 3-ethoxysalicylaldehyde and 2-hydroxy-1-naphthaldehyde have been synthesized and characterised by elemental analyses, conductance, molecular weight, i.r. and electronic spectra and magnetic measurements. The Schiff bases behave as dibasic tridentate ONO donor ligands. The complexes are non-electrolytes and dimers. The complexes exhibit subnormal magnetic moments and are involved in antiferromagnetic exchange with S = 0 ground state. The complexes exhibit electronic spectral bands at ca. 13000 and ca. 17000 cm-1 due to the transitions dsub(xy)->dsub(xz,yz) (2B2->2E) and dsub(xy)->dsub(x2-y2) (2B2->2B1), respectively. The ν(Mo=O) frequency of the complexes is observed in the 900-970 cm-1 region. On the basis of the magnetic susceptibility, i.r. and molecular weight data a dimetallic structure with alcoholic oxygen atoms as the bridging atoms is suggested. (orig.)

  14. The interaction of taurine-salicylaldehyde Schiff base copper(II) complex with DNA and the determination of DNA using the complex as a fluorescence probe

    Science.gov (United States)

    Zhang, Xiaoyan; Wang, Yong; Zhang, Qianru; Yang, Zhousheng

    2010-09-01

    The interaction of taurine-salicylaldehyde Schiff base copper(II) (Cu(TSSB) 22+) complex with DNA was explored by using UV-vis, fluorescence spectrophotometry, and voltammetry. In pH 7.4 Tris-HCl buffer solution, the binding constant of the Cu(TSSB) 22+ complex interaction with DNA was 3.49 × 10 4 L mol -1. Moreover, due to the fluorescence enhancing of Cu(TSSB) 22+ complex in the presence of DNA, a method for determination of DNA with Cu(TSSB) 22+ complex as a fluorescence probe was developed. The fluorescence spectra indicated that the maximum excitation and emission wavelength were 389 nm and 512 nm, respectively. Under optimal conditions, the calibration graphs are linear over the range of 0.03-9.03 μg mL -1 for calf thymus DNA (CT-DNA), 0.10-36 μg mL -1 for yeast DNA and 0.01-10.01 μg mL -1 for salmon DNA (SM-DNA), respectively. The corresponding detection limits are 7 ng mL -1 for CT-DNA, 3 ng mL -1 for yeast DNA and 3 ng mL -1 for SM-DNA. Using this method, DNA in synthetic samples was determined with satisfactory results.

  15. Inner complexes of Co(II), Ni(II), Cu(II), Zn(II), Cd(II), Be(II) and dioxouranium(VI) with salicylaldehyde semicarbazone

    Energy Technology Data Exchange (ETDEWEB)

    Maurya, P.L.; Agarwala, B.V.; Dey, A.K. (Allahabad Univ. (India). Dept. of Chemistry)

    1980-08-01

    Salicylaldehyde semicarbazone (SALSC), yields complexes, ML/sub 2/.2H/sub 2/O (M = Co(II), Ni(II), Cu(II), Zn(II) and Cd(II)) and ML/sub 2/ (M = Be(II) and UO/sub 2/(VI)). The complexes have been characterized by analytical, spectral, magnetic and thermogravimetric studies. SALSC acts as a singly negatively charged bidentate anion, and two such anions coordinate to the metal ion through the hydroxyl oxygen and nitrogen of the C = N group yielding a neutral chelate. The complexes of Co(II), Ni(II) and Cu(II) are paramagnetic with magnetic moment values 4.93, 3.35 and 1.98 BM, respectively. The magnetic and spectral data suggest octahedral geometry of Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and UO/sub 2/(VI) complexes, whereas the Be(II) complex is tetrahedral. TG study reveals the order of thermal stability as : Zn(II) approximately equal to Ni(II) >Be(II) approximately equal to Cd(II) > UO/sub 2/(VI) approximately equal to Co(II) approximately equal to Cu(II).

  16. Studies on some salicylaldehyde Schiff base derivatives and their complexes with Cr(III), Mn(II), Fe(III), Ni(II) and Cu(II)

    Science.gov (United States)

    Abdel-Latif, S. A.; Hassib, H. B.; Issa, Y. M.

    2007-07-01

    The formation constants of some transition metal ions Cr(III), Mn(II), Fe(III), Ni(II) and Cu(II) binary complexes containing Schiff bases resulting from condensation of salicylaldehyde with aniline (I), 2-aminopyridine (II), 4-aminopyridine (III) and 2-aminopyrimidine (IV) were determined pH-metrically in ethanolic medium (80%, v/v). The formation constants were determined for all binary complexes. The important infrared (IR) spectral bands corresponding to the active groups in the four ligands and the solid complexes under investigation were studied. The solid complexes have been synthesized and studied by thermogravimetric analysis. The thermal dehydration and decomposition of these complexes were studied kinetically using the integral method applying the Coats-Redfern equation. It was found that the thermal decomposition of the complexes follow second order kinetics. The thermodynamic parameters of the decomposition are also reported. The electronic absorption spectra of the investigated ligands were carried out to determine the p Ka values spectrophotometrically.

  17. Trisodium scandium bis(orthoborate

    Directory of Open Access Journals (Sweden)

    Kunpeng Wang

    2012-05-01

    Full Text Available Single crystals of trisodium scandium bis(orthoborate, Na3Sc(BO32, have been obtained by spontaneous crystallization from an Na2O–Sc2O3–B2O3 melt. The crystal structure features a three-dimensional framework composed of planar [BO3]3− groups and distorted ScO6 octahedra with Na atoms in the cavities. The Sc atom occupies a special position (Wyckoff position 2b, site symmetry -1 and of the two Na atoms, one occupies a special position (Wyckoff position 2c, site symmetry -1.

  18. UV Spectrophotometry for Simultaneous Determination of Vanillin and Salicylaldehyde in Food%紫外分光光度法同时测定食品中的香草醛和水杨醛

    Institute of Scientific and Technical Information of China (English)

    孟德素; 庞艳玲

    2014-01-01

    根据香草醛和水杨醛及其混合物的紫外光谱吸收特性,建立了一种能同时测定香草醛和水杨醛含量的紫外分光光度法。结果表明,香草醛和水杨醛在328 nm波长处有一个等吸收点,选择279 nm和328 nm为测定波长,以其回归方程建立联立方程组,求得了组分浓度与吸光度之间的关系:C 香草醛=(A279-0.0288)/0.0645;C 水杨醛=[(A328nm+0.0105)/0.0290]-C 香草醛。香草醛和水杨醛的线性范围分别为3 mg/L~30 mg/L,2 mg/L~20 mg/L,检出限分别为2、1 mg/L,并对方法的重现性做了实验,上述两种化合物的相对标准偏差均小于2.0%,用于食品中样品的测定,获得较好的分析结果,回收率在97.3%~101.1%之间。%UV absorption characteristics of vanillin and salicylaldehyde were investigated. Based upon the investigation, a analysis method for the simultaneous determination of vanillin and salicylaldehyde by UV Spectrophotometry was established,Experimental results showed that both vanillin and salicylaldehyde have an iso-absorptive point at 328 nm in the UV absorption spectra, In the present method, the wavelengths of 279 nm and 328 nm were chosen as the wavelengths of determination of vanillin and salicylaldehyde respectively , and linear relationships between values of absorbance and concentration were found by the folloing simultaneous equations which were based on their regression equations:Cvan.=(A279-0.028 8)/0.064 5;Csal.=[(A328 nm+0.010 5)/0.029 0]-Cvan., the linearity range was kept between 3 mg/L-30 mg/L, 2 mg/L-20 mg/L for the vanillin and salicylaldehyde respectively, The detection limits were 2,1 mg/L,both standard deviation is less than 2.0%.The method was successfully applied tothe analysis of food samples with satisfied results.Recovery of vanillin and salicylaldehyde achieves 97.3%-101.1%.

  19. 紫外分光光度法同时测定食品中的香草醛和水杨醛%UV Spectrophotometry for Simultaneous Determination of Vanillin and Salicylaldehyde in Food

    Institute of Scientific and Technical Information of China (English)

    孟德素; 庞艳玲

    2014-01-01

    根据香草醛和水杨醛及其混合物的紫外光谱吸收特性,建立了一种能同时测定香草醛和水杨醛含量的紫外分光光度法。结果表明,香草醛和水杨醛在328 nm波长处有一个等吸收点,选择279 nm和328 nm为测定波长,以其回归方程建立联立方程组,求得了组分浓度与吸光度之间的关系:C 香草醛=(A279-0.0288)/0.0645;C 水杨醛=[(A328nm+0.0105)/0.0290]-C 香草醛。香草醛和水杨醛的线性范围分别为3 mg/L~30 mg/L,2 mg/L~20 mg/L,检出限分别为2、1 mg/L,并对方法的重现性做了实验,上述两种化合物的相对标准偏差均小于2.0%,用于食品中样品的测定,获得较好的分析结果,回收率在97.3%~101.1%之间。%UV absorption characteristics of vanillin and salicylaldehyde were investigated. Based upon the investigation, a analysis method for the simultaneous determination of vanillin and salicylaldehyde by UV Spectrophotometry was established,Experimental results showed that both vanillin and salicylaldehyde have an iso-absorptive point at 328 nm in the UV absorption spectra, In the present method, the wavelengths of 279 nm and 328 nm were chosen as the wavelengths of determination of vanillin and salicylaldehyde respectively , and linear relationships between values of absorbance and concentration were found by the folloing simultaneous equations which were based on their regression equations:Cvan.=(A279-0.028 8)/0.064 5;Csal.=[(A328 nm+0.010 5)/0.029 0]-Cvan., the linearity range was kept between 3 mg/L-30 mg/L, 2 mg/L-20 mg/L for the vanillin and salicylaldehyde respectively, The detection limits were 2,1 mg/L,both standard deviation is less than 2.0%.The method was successfully applied tothe analysis of food samples with satisfied results.Recovery of vanillin and salicylaldehyde achieves 97.3%-101.1%.

  20. Novel bis-arylalkylamines as myeloperoxidase inhibitors

    DEFF Research Database (Denmark)

    Aldib, Iyas; Gelbcke, Michel; Soubhye, Jalal;

    2016-01-01

    Human myeloperoxidase (MPO) plays an important role in innate immunity but also aggravates tissue damage by oxidation of biomolecules at sites of inflammation. As a result from a recent high-throughput virtual screening approach for MPO inhibitors, bis-2,2'-[(dihydro-1,3(2H,4H) pyrimidinediyl)bis...

  1. Bis(1,3-dithiole) Compounds

    DEFF Research Database (Denmark)

    Andersen, Jan Rud; Engler, E. M.; Green, D. C.;

    1977-01-01

    There is described the preparation of bis-1,3-dithiole compounds (I) which are key synthetic precursors for the preparation of new polymeric metal bis(dithiolene) (i.e., II) and tetrathiafulvalene compounds (i.e., III): (Image Omitted)...

  2. Synthesis, spectroscopic characterization and antimicrobial studies of Co(II), Ni(II), Cu(II) and Zn(II) complexes with Schiff bases derived from 5-bromo-salicylaldehyde

    Science.gov (United States)

    Kursunlu, Ahmed Nuri; Guler, Ersin; Sevgi, Fatih; Ozkalp, Birol

    2013-09-01

    In this study, the new Schiff base ligands derived from condensation of amine and 5-bromo-salicylaldehyde were characterized. All compounds, the Schiff bases and the metal complexes, were characterized by elemental analyzes, FT-IR, 1H NMR, 13C NMR and magnetic susceptibility measurements. The synthesized ligands, along with their metal (II) complexes, were screened for their in vitro antibacterial activity against four Gram-negative (Escherichia coli, Klebsiella pneumoniae, Pseudomonas aeruginosa and Salmonella enteritidis) and four Gram-positive (Streptococcus pyogones, Bacillus cereus, Staphylococcus aureus and Methicillin-resistant S. aureus) bacterial strains by using disc diffusion and broth microdilution techniques.

  3. The use of domestic microwave oven in experimental classes of organic chemistry: salicylaldehyde nitration; O uso de aparelhos de micro-ondas domesticos em aulas experimentais de quimica organica: nitracao de salicilaldeido

    Energy Technology Data Exchange (ETDEWEB)

    Teixeira, Eurides Francisco; Santos, Ana Paula Bernardo dos; Bastos, Renato Saldanha; Pinto, Angelo C., E-mail: apcanela@yahoo.com.b [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil). Inst. de Quimica. Dept. de Quimica Organica; Kuemmerle, Arthur Eugen [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil). Fac. de Farmacia. Dept. de Farmacos; Coelho, Roberto Rodrigues [Centro de Tecnologia Mineral (CETEM), Rio de Janeiro, RJ (Brazil)

    2010-07-01

    The use of microwave in chemistry has known benefits over conventional heating methods, e.g. reduced reaction times, chemical yield improvement and the possibility if reducing or eliminating the use of organic solvents. We describe herein a procedure for the nitration of salicylaldehyde in water using a domestic microwave oven, which can be used as an experiment in the undergraduate chemistry laboratory. The experiment involves safe and rapid preparation and identification of the position isomers by thin layer chromatography and {sup 1}H NMR, or by their melting points. (author)

  4. (Acetonitrile[bis(2-pyridylmethylamine]bis(perchloratocopper(II

    Directory of Open Access Journals (Sweden)

    Ray J. Butcher

    2008-01-01

    Full Text Available In the title compound, [Cu(ClO42(C12H13N3(C2H3N], the CuII atom is six-coordinate in a Jahn–Teller distorted octahedral geometry, with coordination by the tridentate chelating ligand, an acetonitrile molecule, and two axial perchlorate anions. The tridentate ligand bis(2-pyridylmethylamine chelates meridionally and equatorially while an acetonitrile molecule is coordinated at the fourth equatorial site. The two perchlorate anions are disordered with site occupancy factors of 0.72/0.28. The amine H is involved in intramolecular hydrogen bonding to the perchlorate O atoms and there are extensive but weak intermolecular C—H...O interactions.

  5. A simple spectrophotometric method for the determination of copper in some real, environmental, biological, food and soil samples using salicylaldehyde benzoyl hydrazone

    International Nuclear Information System (INIS)

    A very simple, ultra-sensitive, highly selective and non-extractive spectrophotometric method for the determination of trace amounts copper (II) has been developed. Salicylaldehyde debenzoyl hydrazone (SAL-BH) has been proposed as a new analytical reagent for the direct non-extractive spectrophotometric determination of copper (II). SAL-BH reacts with copper in a slightly acidic (0.0001-0.005 M H/sub 2/SO/sub 4/) in 40% 1,4-dioxane media with copper(lI) to give a highly absorbent greenish yellow chelate with a molar ratio 1:1(CuII: SAL-BH) The reaction is instantaneous and the maximum absorption was obtained at 404 nffi and remains stable for 72 h. The average molar absorptivity and Sandell's sensitivity were found to be 1.4x105 L mol-I cm/sup -1/ and 5.0 ng cm-2 of copper (II), respectively. Linear calibration graphs were obtained for 0.01 -18 mg L-1 of C/sup 11/. The detection limit and quantification limit of the reaction system were found to be 1 ng mL/sup -1/ and 10 micro.g L/sup -1/, respectively. A large excess of over 50 cations, anions and complexing agents (e.g., tartrate, oxalate, citrate, phosphate, thiocyanate etc.) do not interfere in the determination. The method is highly selective for copper and was successfully used for the determination of copper in several standard reference materials (steels and alloys) as well as in some environmental waters (portable and polluted), biological (human blood and urine), food and soil samples and solutions containing both copper (I) and copper( II) as well as some complex synthetic mixtures. The results of the proposed method for biological and food samples were comparable with AAS and were found to be in good agreement. The method has high precision and accuracy (s = t 0.01 for 0.5 mgL/sup -1/). (author)

  6. Expanding the family of heteroleptic oxidovanadium(IV) compounds with salicylaldehyde semicarbazones and polypyridyl ligands showing anti-Trypanosoma cruzi activity.

    Science.gov (United States)

    Scalese, Gonzalo; Benítez, Julio; Rostán, Santiago; Correia, Isabel; Bradford, Lara; Vieites, Marisol; Minini, Lucía; Merlino, Alicia; Coitiño, E Laura; Birriel, Estefania; Varela, Javier; Cerecetto, Hugo; González, Mercedes; Pessoa, João Costa; Gambino, Dinorah

    2015-06-01

    Searching for prospective vanadium-based drugs for the treatment of Chagas disease, a new series of heteroleptic [V(IV)O(L-2H)(NN)] compounds was developed by including the lipophilic 3,4,7,8-tetramethyl-1,10-phenanthroline (tmp) NN ligand and seven tridentate salicylaldehyde semicarbazone derivatives (L1-L7). The compounds were characterized in the solid state and in solution. EPR spectroscopy suggests that the NN ligand is bidentate bound through both nitrogen donor atoms in an axial-equatorial mode. The EPR and (51)V-NMR spectra of aerated solutions at room temperature indicate that the compounds are stable to hydrolysis and that no significant oxidation of V(IV) to V(V) takes place at least in 24h. The complexes are more active in vitro against Trypanosoma cruzi, the parasite responsible for Chagas disease, than the reference drug Nifurtimox and most of them are more active than previously reported [V(IV)O(L-2H)(NN)] complexes of other NN co-ligands. Selectivity towards the parasite was analyzed using J-774 murine macrophages as mammalian cell model. Due to both, high activity and high selectivity, L2, L4, L5 and L7 complexes could be considered new hits for further drug development. Lipophilicity probably plays a relevant role in the bioactivity of the new compounds. The [V(IV)O(L-2H)(NN)] compounds were designed aiming DNA as potential molecular target. Therefore, the novel L1-L7 tmp complexes were screened by computational modeling, comparing their DNA-binding features with those of previously reported [V(IV)O(L-2H)(NN)] compounds with different NN co-ligands. Whereas all the complexes interact well with DNA, with binding modes and strength tuned in different extents by the NN and semicarbazone co-ligands, molecular docking suggests that the observed anti-T. cruzi activity cannot be explained upon DNA intercalation as the sole mechanism of action. PMID:25824466

  7. Briefwechsel uber die Partikel "bis" (An Exchange of Letters about the Particle "bis").

    Science.gov (United States)

    Ludwig, Horst; Holschuh, Albrecht

    1990-01-01

    A discussion, in the form of an animated letter exchange, argues that, contrary to most current grammatical descriptions, the German particle "bis" should not be viewed as a preposition governing the accusative case. Rather, it is demonstrated that "bis" most often occurs as a proclitic adverb. (16 references) (JTC)

  8. 40 CFR 721.1187 - Bis(imidoethylene) benzene.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Bis(imidoethylene) benzene. 721.1187... Substances § 721.1187 Bis(imidoethylene) benzene. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance bis(imidoethylene)benzene (PMN P-93-1447) is subject to...

  9. Halogen-free bis(imidazolium)/bis(ammonium)-di[bis(salicylato)borate] ionic liquids as energy-efficient and environmentally friendly lubricant additives.

    Science.gov (United States)

    Gusain, Rashi; Gupta, Piyush; Saran, Sandeep; Khatri, Om P

    2014-09-10

    Bis(imidazolium)- and bis(ammonium)-di[bis(salicylato)borate] ionic liquids with variable alkyl chain and cyclic ring structures, were synthesized and then evaluated them as potential lubricant additives. The copper strip test results revealed noncorrosive properties of these ionic liquids. Introduction of halogen content in bis(imidazolium) ionic liquid by replacement of bis(salicylato)borate (BScB) anion with hexafluorophosphate (PF6(-)), severely corroded the copper strip. Thermogravimetric results showed that bis(imidazolium) ionic liquids exhibited higher thermal stability than bis(ammonium) ionic liquids owing to compact structure provided by imidazolium rings, higher intermolecular interactions, smaller free volume and low steric hindrance. The lubrication properties of these ionic liquids as additives to synthetic lubricant poly(ethylene) glycol (PEG 200) were evaluated for steel balls. Results showed that bis(ammonium)- and bis(imidazolium)-(BScB)2 ionic liquids as additives significantly reduced both friction coefficient and wear of PEG 200. The structure of cations, particularly the variation in substituted alkyl chain length monitored the degree of reduction in friction and wear. The excellent lubrication properties were attributed to the formation of adsorbed tribo-thin film and tribochemical product during the tribo-contact. Being halogen-, phosphorus-, and sulfur-free, these ionic liquids (a) protects contact surfaces from tribo-corrosive events, (b) reduces the friction and wear, and (c) keep environment green and clean.

  10. SYNTHETIC APPROACHES FOR BIS (INDOLYL METHANES

    Directory of Open Access Journals (Sweden)

    Partha Pratim Kaishap* and Chandrajit Dohutia

    2013-04-01

    Full Text Available ABSTRACT: Indole ring system is the most important heterocycle available in natural compounds. Owing to great structural diversity, the indole ring system has become an important structural requirement in many pharmaceutical agents. Indole has been widely identified as a privileged structure or pharmacophore, with its presence in over 3000 natural isolates which are known to possess broad spectrum of biological activities and pharmaceutical applications. The bis (indolyl methane derivatives are found to be very active compounds in pharmacy field. They are found in cruciferous plants and are known to promote beneficial oestrogen metabolism and induce apoptosis in human cancer cells. In recent years, a lots of bis (indolyl methane derivatives have been synthesized and found to possess promising biological activities including anticancer, antimicrobial, antifungal, analgesic, anti-inflammatory, anthelmintic, cardiovascular activities. In the present review several synthetic schemes of these compounds are discussed involving non-toxic catalyst and providing high yields.

  11. Bridged bis-BODIPYs: their synthesis, structures and properties.

    Science.gov (United States)

    Kesavan, Praseetha E; Das, Sudipta; Lone, Mohsin Y; Jha, Prakash C; Mori, Shigeki; Gupta, Iti

    2015-10-21

    A series of bis-BODIPYs 1-6 bridged via thiophene, furan, N-alkylcarbazole, triphenyl-amine, para- and meta-phenylene groups have been synthesized and characterized by various spectroscopic techniques. The change in the spectroscopic properties of bis-BODIPYs upon varying the size of spacers was studied. X-ray crystal structures of three bis-BODIPYs containing triphenylamine, para- and meta-phenylene bridges were solved. Intermolecular C(H)π and ππ stacking interactions were observed in solid state structures of three bis-BODIPYs. The dihedral angles between the spacer unit and two boron-dipyrrin units were lower in all three compounds as compared to their corresponding monomers. This suggests increased interactions between the two boron-dipyrrin units in molecules which are in turn reflected in the anodic shifts in their reduction potentials. DFT studies indicated effective electronic interactions between spacers and two boron dipyrrin units in all the bis-BODIPYs. The calculated HOMO-LUMO gap was found to be lower for bis-BODIPY having bulky carbazole spacers and higher for bis-BODIPY having smaller furan spacers. Changing the spacer size clearly affected the spectroscopic properties of the bis-BODIPYs and red shifted absorption and emission maxima were observed for bis-BODIPYs with furan and thiophene spacers as compared to bis-BODIPYs with phenylene or bulky aromatic spacers. PMID:26373792

  12. [N,N-Bis(diphenylphosphinoisopropylamine]dibromidonickel(II

    Directory of Open Access Journals (Sweden)

    2009-03-01

    Full Text Available The title compound, [NiBr2(C27H27NP2], was synthesized by the reaction of NiBr2(dme (dme is 1,2-dimethoxyethane with N,N-bis(diphenylphosphinoisopropylamine in methanol/tetrahydrofuran. The nickel(II center is coordinated by two P atoms of the chelating PNP ligand, Ph2PN(iPrPPh2, and two bromide ions in a distorted square-planar geometry.

  13. Synthesis, Characterization and Properties of Bis{oxo-bis[heteroaromatic carboxylatodibenzyltin(Ⅳ)]} and Crystal Structure of Bis{oxo-bis[2-furylcarboxylatodibenzyltin(Ⅳ)]}

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    A series of bis{oxo-bis[heteroaromatic carboxylatodibenzyltin(Ⅳ)]} complexes {[(PhCH2)2Sn*(O2CR)]2O}2[where R=2-furyl, 2-(2-furyl)vinyl, 2-(5-tert-butyl)furyl, 2-thiophenyl, 2-pyridinyl, 3-pyridinyl, 4-pyridinyl, 3-indolyl, 3-indolylmethyl, 3-indolylpropyl] was synthesized by the reactions of heteroaromatic carboxylic acids with dibenzyltin(Ⅳ) oxide. All the complexes were characterized by elemental analysis, IR, and NMR spectra. The complexes were tested against two human tumour cell lines: MCF-7 and WiDr. The results show that they have higher activities in vitro. The crystal structure of bis{oxo-bis[2-furylcarboxylatodibenzyltin(Ⅳ)]}(1) was determined by X-ray diffraction. The crystal belongs to monoclinic space group P21/n, a=1.6641(2) nm, b=1.25073(18) nm, c=1.7193(3) nm, β=101.951(2)°, Z=2, R1=0.0446, wR2=0.1100. Complex 1 is of a centrosymmetric dimer structure with a four-membered central endo-cyclic Sn2O2 unit in which the bridged oxygen atoms are tri-coordinated. Each bridged oxygen atom also connects with an exo-cyclic tin atom. The tin atoms are six-coordinated and have a coordination geometry of a distorted octahedron. The exo-cyclic tin atoms are five-coordinated and have a coordination geometry of a monocapped trigonal bipyramid with a very similarly distorted mode. Four carboxylate ligands are divided into two types. The two of the four carboxylate ligands are bidentate and bridged to each pair of exo- and endo-cyclic tin atoms by using both the oxygen atoms. The other two are monodentate and bridged to each pair of exo- and endo-cyclic tin atoms but each utilizes one O atom only.

  14. Maternal BIS Sensitivity, Overprotective Parenting, and Children's Internalizing Behaviors.

    Science.gov (United States)

    Kiel, Elizabeth J; Maack, Danielle J

    2012-08-01

    Although sensitivity to the Behavioral Inhibition System within Gray's (1970) reinforcement sensitivity theory relates to individuals' own depressive and anxious symptomatology, less is known about how parental BIS sensitivity relates to early indicators of internalizing problems in young children. Moreover, the extent to which this parental characteristic relates to parenting behavior, and children's internalizing problems above and beyond parenting, remains unknown. The current study assessed maternal BIS sensitivity, overprotective parenting, and toddlers' internalizing behaviors in a sample of 91 mothers while controlling for mothers' own internalizing symptomatology. Heightened BIS sensitivity related to both overprotective parenting and internalizing behaviors. Overprotective parenting partially mediated the relation between BIS sensitivity and children's internalizing behaviors, although BIS sensitivity maintained a marginal relation to internalizing behaviors. Maternal BIS sensitivity and toddler internalizing behaviors may represent a shared disposition towards inhibition that is somewhat accounted for by overprotective parenting. PMID:22904590

  15. Intramolecular Electron Transfer in Bis(tetraalkyl Hydrazine) and Bis(hydrazyl) Radical Cations.

    Science.gov (United States)

    Chang, Hao

    A series of multicyclic bis(hydrazine) and bis(diazenium) compounds connected by relatively rigid hydrocarbon frameworks were prepared for the study of intramolecular electron transfer. The thermodynamics of electron removal of these compounds was investigated by cyclic voltammetry. The difference between the first and second oxidation potentials for the 4 sigma-bonded species was found to be larger for the bis(hydrazyl) radical systems than for the bis(hydrazines) by ca. 0.2 V (4.6 kcal/mol). This indicates a greater degree of interaction between the two nitrogen moieties for the hydrazyl systems, which is consistent with a greater degree of electronic coupling (H _{rm AB}) in these systems. The ESR spectra of the 4 sigma -bonded bis(hydrazine) radical cations indicate localized radical cations, which corresponds to slow intramolecular electron transfer on the ESR timescale. Conversely, the ESR spectra of the corresponding bis(hydrazyl) radical cation systems show nitrogen hyperfine splittings of a(4N) of ca. 4.5 G. This indicates that intramolecular electron transfer between the two nitrogen moieties is fast on the ESR timescale; the rate of exchange, k_ {rm ex} was estimated to be well above 1.9 times 10^8 s^{-1}. The contrast in exchange rates is consistent with the large geometry change upon oxidation which is characteristic of hydrazines. The hydrazyls undergo a smaller geometry change upon oxidation, and thus are expected to exhibit smaller inner-sphere reorganization energies. The optical spectra of these radical species was investigated in hopes of observing absorption bands corresponding to intramolecular electron transfer, as predicted by Hush theory. A broad absorption band was observed in the near IR region for the saturated bis(hydrazyl) radical cation system at 1060 nm (9420 cm^{-1} ) in acetonitrile at room temperature, and was accompanied by a narrower band at 1430 nm (6993 cm^ {-1}). The width of this band was estimated to be 545 nm (6496 cm^{-1

  16. 40 CFR 721.5760 - Phenol, 4,4′-[methylene-bis (oxy-2,1-ethanediylthio)]bis-.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Phenol, 4,4â²- bis-. 721.5760 Section... Substances § 721.5760 Phenol, 4,4′- bis-. (a) Chemical substances and significant new uses subject to reporting. (1) The chemical substance phenol, 4,4′- bis- (PMN P-87-1760) is subject to reporting under...

  17. Poly[bis[μ-1,4-bis(imidazol-1-ylmethylbenzene]dichloridocadmium(II

    Directory of Open Access Journals (Sweden)

    Xinliang Hu

    2008-07-01

    Full Text Available The title compound, [CdCl2(C14H14N42]n, has a slightly distorted octahedral coordination geometry, formed by four N atoms from 1,4-bis(imidazol-1-ylmethylbenzene ligands and two Cl atoms, giving a two-dimensional network. The Cd atom lies on a centre of inversion.

  18. Bis-spirolabdane Diterpenoids from Leonotis nepetaefolia

    OpenAIRE

    Li, Jun; Fronczek, Frank R.; Ferreira, Daneel; Burandt, Charles L.; Setola, Vincent; Roth, Bryan L.; Zjawiony, Jordan K.

    2012-01-01

    Ten new bis-spirolabdane diterpenoids, leonepetaefolins A–E (1, 3, 5, 7, 9) and 15-epi-leonepetaefolins A-E (2, 4, 6, 8, 10), together with eight known labdane diterpenoids (11–18) as well as two known flavonoids apigenin and cirsiliol, were isolated from the leaves of Leonotis nepetaefolia. The structures of the new compounds were determined on the basis of 1D-and 2D-NMR experiments including 1H, 13C, DEPT, 1H-1H COSY, HSQC, HMBC, and NOESY. The absolute configuration of an epimeric mixture ...

  19. One pot synthesis of bis-silicon-bridged stilbene derivatives

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Bis-silicon-bridged stilbene derivatives were synthesized in a modified procedure that combined the preparation of bis[2-(silyl)phenyl]acetylene and its intrmolecular reductive cyclization in one pot. The results indicated that the one pot approach produced target products in a comparable yield to that of the two-step method reported previously.

  20. Bis-perfluoroalkylation of aromatic compounds with sodium perfluoroalkanesulfinates

    Institute of Scientific and Technical Information of China (English)

    LIU, Jin-Tao(刘金涛); LU, He-Jun(吕贺军)

    2000-01-01

    Bis-perfluoroalkylation of aromatic compounds such as dimethoxybenzenes (2,4,6), anisole (8), pyridine (10) and quinoline (13) was accomplished by reaction with excess sodium perfluoroalkanesulfinates, RFSO2Na (1), in the presence of Mn(OAc)3·2H2O under mild conditions. The reaction provides a facile method for the synthesis of bis-perfluoroalkylated aromatic compounds.

  1. Convenient Synthesis of Bis(oxazoline) Dicarboxylate Derivatives

    Institute of Scientific and Technical Information of China (English)

    Bin FU; Da Ming DU; Qing XIA

    2004-01-01

    The synthesis of bis(oxazoline) dicarboxylate derivatives was investigated.Diethyl-aminosulfur trifluoride(DAST)was used as a convenient cyclization reagent in the synthesis of bis(oxazoline)dicarboxylate derivatives,which can not be obtained by the general method using MsCl and Et3N as dehydrating cyclization reagent.

  2. Synthesis, spectral and structural properties of bis-imidazoline selones

    Indian Academy of Sciences (India)

    Arruri Sathyanarayana; Katam Srinivas; Anindita Mandal; Saswati Gharami; Ganesan Prabusankar

    2014-09-01

    New biphenyl derivatives of bis-imidazoline selones were synthesized in good yield and characterized by multinuclear (1D and 2D) NMR and UV-vis studies. The solid state structures of bis-imidazoline selones were further confirmed by single crystal X ray diffraction technique.

  3. Accelerated optical holographic recording using bis-DNO

    DEFF Research Database (Denmark)

    Rasmussen, Palle H.; Ramanujam, P.S.; Hvilsted, Søren;

    1999-01-01

    The design, synthesis and optical holographic recording properties of bis-DNO are reported. Bis-DNO is composed of two identical azobenzene oligoornithine segments (DNO) connected via a dipeptide linker. The two segments were assembled in a parallel fashion at the two amino groups of the dipeptid...

  4. Bis[4-bromo-2-(cyclo-pentyl-imino-meth-yl)phenolato]copper(II).

    Science.gov (United States)

    Cai, Bang-Hong

    2009-01-01

    The title compound, [Cu(C(12)H(13)BrNO)(2)], was prepared by the reaction of 5-bromo-salicylaldehyde, cyclo-pentyl-amine and copper(II) acetate in an ethanol solution. The Cu(II) atom lies on an inversion center and is four-coordinated in a square-planar geometry by two N and two O atoms from two 4-bromo-2-(cyclo-pentyl-imino-meth-yl)phenolate Schiff base ligands. PMID:21582106

  5. A bis-calixarene from olefin metathesis

    Directory of Open Access Journals (Sweden)

    Shimelis T. Hailu

    2012-06-01

    Full Text Available A ring-closing olefin metathesis reaction of tetrakis(allyloxycalix[4]arene gave the bis calixarene, (15E,40E,60E-65,74-bis(prop-2-en-1-yloxy-13,18,38,43,58,63-hexaoxadodecacyclo[28.26.8.720,36.111,45.151,55.05,57.07,12.019,24.026,64.032,37.044,49.168,72]tetraheptaconta-1,3,5(57,7,9,11,15,19(24,20,22,26,28,30(64,32,34,36,40,44(49,45,47,51,53,55(65,60,68,70,72(74-heptacosaene, C74H68O8. It is a cage formed from two calix[4]arene units joined by butenyl groups at three of the O atoms on the narrow rim. The fourth O atom on each calixarene unit is joined with an allyl group. Each of the calix[4]arene units has a flattened cone conformation in which the allyloxy-substituted aryl group and the opposite aryl group are close together and almost parallel [dihedral angle between planes = 1.09 (11°], and the other two aryl groups are splayed outward [dihedral angle between planes = 79.53 (11°]. No guest molecule (e.g. solvent was observed within the cage. The alkene C atoms of one of the links between the calixarene moieties are disordered over two orientations with occupancies of 0.533 (9 and 0.467 (9.

  6. Bis(μ-bis{[4-(2-pyridylpyrimidin-2-yl]sulfanyl}methanedisilver(I bis(perchlorate

    Directory of Open Access Journals (Sweden)

    Hai-Bin Zhu

    2010-12-01

    Full Text Available In the macrocyclic centrosymmetric dinuclear complex, [Ag2(C19H14N6S22](ClO42, the AgI atom, bis{[4-(2-pyridylpyrimidin-2-yl]sulfanyl}methane (2-bppt ligand and perchlorate anion each lie on a twofold rotation axis. The 2-bppt ligand chelates two four-coordinated AgI atoms through its two bipyridine-like arms. The O atoms of the perchlorate anion are disordered each over two positions of equal occupancy. Adjacent complex molecules are linked by π–π interactions between the pyridine and pyrimidine rings [centroid–centroid distance = 3.663 (8 Å].

  7. Molybdenum (VI) Bis(imidoaryl) Complexes Containing the Bis (amonimethyl)aryl 'Pincer' Ligand

    NARCIS (Netherlands)

    Koten, G. van; Brandts, J.A.M.; Gossage, R.A.; Boersma, J.; Spek, A.L.

    1999-01-01

    The synthesis and characterization of new, five-coordinate molybdenum bis(imido) chloride complexes [MoCl(NCN)(N-t-Bu)2] (2) and [MoCl(2-C,N-NCN)(NAr)2] (3) and the methylated derivative [Mo(2-C,N-NCN)(Me)(NAr)2] (5) (NCN = [C6H3(CH2NMe2)2-2,6]-, Ar = C6H3-i-Pr2-2,6) are reported. Compounds 3 and 5

  8. O uso de aparelhos de micro-ondas domésticos em aulas experimentais de química orgânica: nitração de salicilaldeído The use of domestic microwave oven in experimental classes of organic chemistry: salicylaldehyde nitration

    Directory of Open Access Journals (Sweden)

    Eurídes Francisco Teixeira

    2010-01-01

    Full Text Available The use of microwave in chemistry has known benefits over conventional heating methods, e.g. reduced reaction times, chemical yield improvement and the possibility if reducing or eliminating the use of organic solvents. We describe herein a procedure for the nitration of salicylaldehyde in water using a domestic microwave oven, which can be used as an experiment in the undergraduate chemistry laboratory. The experiment involves safe and rapid preparation and identification of the position isomers by thin layer chromatography and 1H NMR, or by their melting points.

  9. A bis-calixarene from olefin metathesis

    Science.gov (United States)

    Hailu, Shimelis T.; Butcher, Ray J.; Hudrlik, Paul F.; Hudrlik, Anne M.

    2012-01-01

    A ring-closing olefin metathesis reaction of tetra­kis­(all­yl­oxy)calix[4]arene gave the bis­ calixarene, (15E,40E,60E)-65,74-bis­(prop-2-en-1-yl­oxy)-13,18,38,43,58,63-hexa­oxado­deca­cyclo­[28.26.8.720,36.111,45.151,55.05,57.07,12.019,24.026,64.032,37.044,49.168,72]tetra­hepta­conta-1,3,5(57),7,9,11,15,19(24),20,22,26,28,30(64),32,34,36,40,44(49),45,47,51,53,55(65),60,68,70,72(74)-hepta­cosa­ene, C74H68O8. It is a cage formed from two calix[4]arene units joined by butenyl groups at three of the O atoms on the narrow rim. The fourth O atom on each calixarene unit is joined with an allyl group. Each of the calix[4]arene units has a flattened cone conformation in which the all­yloxy-substituted aryl group and the opposite aryl group are close together and almost parallel [dihedral angle between planes = 1.09 (11)°], and the other two aryl groups are splayed outward [dihedral angle between planes = 79.53 (11)°]. No guest mol­ecule (e.g. solvent) was observed within the cage. The alkene C atoms of one of the links between the calixarene moieties are disordered over two orientations with occupancies of 0.533 (9) and 0.467 (9). PMID:22719604

  10. A bis-calixarene from olefin metathesis.

    Science.gov (United States)

    Hailu, Shimelis T; Butcher, Ray J; Hudrlik, Paul F; Hudrlik, Anne M

    2012-06-01

    A ring-closing olefin metathesis reaction of tetra-kis-(all-yl-oxy)calix[4]arene gave the bis- calixarene, (15E,40E,60E)-65,74-bis-(prop-2-en-1-yl-oxy)-13,18,38,43,58,63-hexa-oxado-deca-cyclo-[28.26.8.7(20,36).1(11,45).1(51,55).0(5,57).0(7,12).0(19,24).0(26,64).0(32,37).0(44,49).1(68,72)]tetra-hepta-conta-1,3,5(57),7,9,11,15,19(24),20,22,26,28,30(64),32,34,36,40,44(49),45,47,51,53,55(65),60,68,70,72(74)-hepta-cosa-ene, C(74)H(68)O(8). It is a cage formed from two calix[4]arene units joined by butenyl groups at three of the O atoms on the narrow rim. The fourth O atom on each calixarene unit is joined with an allyl group. Each of the calix[4]arene units has a flattened cone conformation in which the all-yloxy-substituted aryl group and the opposite aryl group are close together and almost parallel [dihedral angle between planes = 1.09 (11)°], and the other two aryl groups are splayed outward [dihedral angle between planes = 79.53 (11)°]. No guest mol-ecule (e.g. solvent) was observed within the cage. The alkene C atoms of one of the links between the calixarene moieties are disordered over two orientations with occupancies of 0.533 (9) and 0.467 (9).

  11. Mono- and bis-thiazolium salts have potent antimalarial activity.

    Science.gov (United States)

    Hamzé, Abdallah; Rubi, Eric; Arnal, Pascal; Boisbrun, Michel; Carcel, Carole; Salom-Roig, Xavier; Maynadier, Marjorie; Wein, Sharon; Vial, Henri; Calas, Michèle

    2005-05-19

    Three new series comprising 24 novel cationic choline analogues and consisting of mono- or bis (N or C-5-duplicated) thiazolium salts have been synthesized. Bis-thiazolium salts showed potent antimalarial activity (much superior to monothiazoliums). Among them, bis-thiazolium salts 12 and 13 exhibited IC(50) values of 2.25 nM and 0.65 nM, respectively, against P. falciparum in vitro. These compounds also demonstrated good in vivo activity (ED(50)

  12. High pressure synthesis of BiS2

    DEFF Research Database (Denmark)

    Søndergaard-Pedersen, Simone; Nielsen, Morten Bormann; Bremholm, Martin

    crystal structures and electrical properties.1,2 Up until now, the most sulfur rich phase in the Bi-S phase diagram was Bi2S3.3 For BiS2 the Bi atoms have anisotropic charge distribution and more complex structures are expected when comparing the layered structures of transition metal dichalcogenides....... The possibilities of using high pressure synthesis to discover new phases in the Bi-S binary system were investigated as early as the 1960’s.4 The research led to discovery of a compound with BiS2 stoichiometry, but no structure solution of BiS2 was reported. A reason behind making this new phase is to study...... the physical properties since the related compound Bi2S3 is known to be a thermoelectric material.5 In this research the BiS2 compound was synthesized by a high pressure and high temperature method using a multi-anvil large volume press and the structure was solved by single crystal diffraction. The structure...

  13. 40 CFR 721.8100 - Potassium N,N-bis (hydroxy-ethyl) cocoamine oxide phosphate, and potassium N,N-bis (hy-droxy...

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Potassium N,N-bis (hydroxy-ethyl) cocoamine oxide phosphate, and potassium N,N-bis (hy-droxy-ethyl) tal-lo-wa-mine oxide phos-phate. 721.8100... Substances § 721.8100 Potassium N,N-bis (hydroxy-ethyl) cocoamine oxide phosphate, and potassium N,N-bis...

  14. Estructura molecular y cristalina del bis (bis(dietilamino glioximato níquel (II

    Directory of Open Access Journals (Sweden)

    Luis Alejandro Nuvan

    2009-07-01

    Full Text Available Ni(CioH2lN4022- monoclínico, grupo espacial P2i/a, a = 15.760 (2, b = 11.793 (3, c = 7.297 (1 A°, j3 = 99.10 (1°, V = 1339.0 (7 A°3, Z = 2 , De = 1.28 Mg M " \\ M = 765 M " ' . La estructura fue resuelta por el método del átomo pesado y afinada por mínimos cuadrados, utilizando la matriz completa, hasta obtener una concordancia R = 0.068 para todas las reflexiones observadas. El átomo de níquel está localizado en un centro de inversión y presenta una coordinación cuadrado planar. El complejo Bis (Bis (Dietilamino Glioximato Níquel (II es casi planar y el desplazamiento de los grupos etil con respecto al plano es producido por efectos estéricos. Las moléculas planares se apilan a lo largo de c, las normales a los planos forman con este eje un ángulo de 41.53 . Existen interacciones axiales entre el níquel y los grupos amino de las moléculas adyacentes de la columna.

  15. Synthesis, properties and supramolecular structure of di(aqua)bis(ethylenediamine)nickel(II) bis(4-nitrobenzoate)

    Indian Academy of Sciences (India)

    Bikshandarkoil R Srinivasan; Gayatri K Rane

    2009-03-01

    The reaction of the sodium salt of 4-nitrobenzoic acid (4-nbaH) with [Ni(H2O)6]Cl2 or [Ni(en)3]Cl2.2H2O (en is ethylenediamine) results in the formation of the known octahedral compound [Ni(H2O)4(1-4-nba)2].2H2O (4-nba = 4-nitrobenzoate) 1 or the title compound di(aqua)bis(ethylenediamine) nickel(II) bis(4-nitrobenzoate) 2 respectively. Compounds 1 and 2 were characterized by elemental analysis, infrared spectra, DSC thermograms, weight loss studies and the structure of 2 was determined. Both 1 and 2 can be thermally decomposed to green NiO. The title compound [Ni(H2O)2(en)2](4-nba)2 2 crystallizes in the centrosymmetric monoclinic space group 21/ with the Ni(II) situated on an inversion center. The crystal structure of 2 consists of a hexacoordinated Ni(II) complex cation and an uncoordinated 4-nba anion. In the octahedral complex cation, the central metal is linked to two symmetry related bidentate en ligands and two water molecules. In the crystal structure, the cations and anions are linked by three varieties of hydrogen bonding interactions. A comparative study of seven nickel 4-nitrobenzoate compounds is described.

  16. Apoptosis and survivability of human dental pulp cells under exposure to Bis-GMA

    Directory of Open Access Journals (Sweden)

    Junya Yano

    2011-06-01

    Full Text Available OBJECTIVE: In the present study, we examined whether 2, 2-bis [4-(2-hydroxy-3-methacryloxypropoxy phenyl] propane (Bis-GMA has effects on LSC2 cells, human dental pulp cell line. MATERIAL AND METHODS: The viability, cell cycle, and morphology of LSC2 cells were analyzed after exposure to several different concentrations of Bis-GMA. The recovery of viability of Bis-GMA exposed cells was also analyzed in the condition without Bis-GMA. Further, penetration of Bis-GMA to dentin disc was examined using isocratic high-performance liquid chromatography. RESULTS: There was a concentration-dependent decrease in cell proliferation and an increase in cell number in the sub-G1 population after exposure to Bis-GMA. Furthermore, the cells showed typical characteristics of apoptotic cells after the exposure to high concentration of Bis-GMA. In contrast, cells exposed to lower concentrations of Bis-GMA recovered their viability after being cultured without Bis-GMA. We also found that Bis-GMA is capable of penetrating 1-mm-thick dentin discs, though the penetrated concentration was lower than that showing cytotoxicity. CONCLUSION: These results suggest that Bis-GMA has cytotoxic effects, though dental pulp exposed to lower concentrations is able to recover their viability when Bis-GMA is removed.

  17. Bis(2-{[bis(dimethylaminomethylidene]amino-κN}benzenesulfonato-κNcopper(II

    Directory of Open Access Journals (Sweden)

    Adam Neuba

    2012-12-01

    Full Text Available The molecular structure of the title compound, [Cu(C11H16N3O3S2], shows the CuII atom with a distorted square-planar coordination geometry from the N2O2 donor set of the two chelating 2-{[bis(dimethylaminomethylidene]amino}benzenesulfonate ligands. The CuII atom lies 0.065 (1 Å above the N2O2 plane and the Cu—O [2 × 1.945 (2 Å] and Cu—N bond lengths [1.968 (3 and 1.962 (3 Å] lie in expected ranges. The two aromatic ring planes make a dihedral angle of 85.48 (1°.

  18. catena-Poly[[[diaquacadmium(II]-bis[μ-3,5-bis(isonicotinamidobenzoato

    Directory of Open Access Journals (Sweden)

    Dai-Zhi Kuang

    2010-10-01

    Full Text Available The title compound, {[Cd(C19H13N4O42(H2O2]·4H2O}n or {[Cd(BBA2(H2O2]·4H2O}n, where BBA is 3,5-bis(isonicotinamidobenzoate, is isotypic with its Mn isologue [Chen et al. (2009. J. Coord. Chem. 62, 2421–2428]. The cation sits on a twofold axis and is six-coordinated in a slightly distorted octahedral geometry; the polyhedra are linked into zigzag chains, which are further connected by N—H...O, O—H...O and O—H...N hydrogen bonds as well as π–π interactions [centroid-centroid distance of 3.639 (2 Å], giving a three-dimensional supramolecular framework.

  19. Synthesis and biological study of novel methylene-bis-benzofuranyl-

    Directory of Open Access Journals (Sweden)

    Sanjeeva R. Cherkupally

    2008-12-01

    Full Text Available A series of novel methylene-bis-[1,5]-benzothiazepines 4 and methylene-bis-benzofuranyl-[1,5]-benzothiazepines 5 were prepared by the reaction of methylene-bis-chalcones 3 with 2-aminothiophenolfollowed by the condensation with -bromoacetophenone. The structures of the synthesized compounds wereconfirmed by their IR, 1H, 13C NMR and Mass spectral analyses. All the synthesized compounds were tested fortheir antimicrobial activity against Gram-positive, Gram-negative bacteria and fungi. Among the synthesizedcompounds, the compounds 4f, 4g, 5f and 5g were found to be the most active against Bacillus subtilis, Bacillussphaericus, Staphylococcus aureus, Klebsiella aerogenes and Chromobacterium violaceum. Similarly thesecompounds showed potent antifungal effect against Candida albicans, Aspergillus fumigatus, Trichophytonrubrum, and Trichophyton mentagrophytes. It is interesting to note that the compounds with heterocyclic ringsubstituents at the 4th position of benzothiazepine system displayed notable antibacterial activity, almost equalto that of streptomycin and penicillin.

  20. Synthesis,Characterization and Properties of Bis{oxo—bis[heteroaromatic carboxylatodibenzyltin(Ⅳ)]}and Crystal Structure of Bis{oxo—bis[2—furylcarboxylatodibenzyltin(Ⅳ)]}

    Institute of Scientific and Technical Information of China (English)

    YINHan-dong; WANGChuan-hua; WANGYong; MAChun-lin

    2003-01-01

    A series of bis{oxo-bis[heteroaromatic carboxylatodibenzyltin(Ⅳ)]}complexes {[(PhCH2)2Sn·(O2CR)]2O}2[where R=2-furyl,2-(2-furyl)vinyl.2-(5-tert-butyl)furyl.2-thiophenyl,2-pyridinyl,2-pyridinyl,3-pyridinyl,4-pyridinyl,3-indolyl,3-indolylmethyl,3-indolylpropyl]was synthesizde by the reactions of heteroaromatic carboxylic acids with dibenzyltin(Ⅳ) oxide.All the complexes were characterized by elemental analysis,IR,and NMR spectra.The complexes were tested against two human tumour cell lines:MCF-7 and WiDr.The results show that they have higher activities in vitro.The crystal structure of bis{oxo-bis[2-furylcarboxylatodibenzyltin(Ⅳ)]}(1)was determined by X-ray diffraction.The crystal structure of bis{ox-bis [2-furylcarboxylatodibenzyltin(Ⅳ)]}(1) was determined by X-ray diffraction.The crystal belongs to monoclinic space group P21/n,a=1.6641(2)nm,b=1.25073(18)nm,c=1.7193(3)nm,β=101.951(2)°,Z=2.R1=0.0446,ωR2=0.1100,Complex 1 is of a centrosymmetric dimer structre with a four-membered central endo-cyclic Sn2O2 unit in which the bridged oxygen atoms are tri-coordinated.Each bridgde oxygen atom also connects with an exo-cyclic tin atom.The tin atoms are six-coordinated and have a coordination geometry of a monocapped trigonal bipyramid with a very similarly distorted mode.Four carboxylate ligands are divided into two types.The two of the four carboxylate ligands are bidentate and bridged to each pair of exoeach pair of exo-and endo-cyclic tin atoms but each utilized one O atom only.

  1. Hydrazonoyl Chlorides as Precursors for Synthesis of Novel Bis-Pyrrole Derivatives

    OpenAIRE

    Nabila Abdelshafy Kheder

    2016-01-01

    A convenient synthesis of some novel bis-pyrrole derivatives via hydrazonoyl halides is described. Antimicrobial evaluation of some selected examples of the synthesized products was carried out. The bis-pyrrole derivative having chloro substituents showed good activity against all of the used microbes. The molecular docking of the bis-pyrrole derivatives was performed by the Molecular Operating Environment (MOE) program.

  2. 40 CFR 721.10096 - Benzene, 1,4-bis (methoxymethyl)-.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Benzene, 1,4-bis (methoxymethyl)-. 721... Substances § 721.10096 Benzene, 1,4-bis (methoxymethyl)-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as benzene, 1,4-bis (methoxymethyl)- (PMN...

  3. 40 CFR 721.3340 - Ethanol, 2,2′-(hexylamino)bis-.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Ethanol, 2,2â²-(hexylamino)bis-. 721... Substances § 721.3340 Ethanol, 2,2′-(hexylamino)bis-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as ethanol, 2,2′-(hexylamino)bis- (PMN...

  4. Microwave assisted synthesis of bis and tris(ω -bromoacetophenones): versatile precursors for novel bis(imidazo[1,2- a]pyridines), bis(imidazo[1,2- a]pyrimidines) and their tris-analogs

    OpenAIRE

    Shaaban, Mohamed R.

    2013-01-01

    Background α-Bromination of the side chain of aromatic ketones using NBS in the presence of p-toluenesulfonic acid (p-TsOH) in acetonitrile is very common. However, regioselective bromination of bis and tris(ω -bromoacetophenones) with NBS in the presence of p-TsOH in acetonitrile under microwave irradiation is quite novel. The bis- and tris(ω -bromoacetophenones) are used in synthesis of bis and tris(heterocycles). bis(heterocycles) have received a great deal of attention, because many biolo...

  5. 2,6-Bis(9-ethyl-9H-carbazolylmethylenecyclohexanone

    Directory of Open Access Journals (Sweden)

    Abdullah M. Asiri

    2009-10-01

    Full Text Available The title compound, 2,6-bis(ethyl-9-ethyl-9H-carbazolylmethylenecyclohexanone has been synthesized by condensation of 9-ethylcarbazole-3-aldehyde and cyclohexanone in ethanol in the presence of pyridine. The structure of this new compound was confirmed by elemental analysis, IR, 1H NMR, 13C NMR and EI-MS spectral analysis.

  6. LA REINCIDENCIA VULNERA EL “NON BIS IN IDEM”

    Directory of Open Access Journals (Sweden)

    Roger Cabrera-Paredes

    2011-07-01

    Full Text Available El presente artículo explica como la “Reincidencia vulnera el  Non bis in ídem”; empezamos con la “Introducción” que comprende los antecedentes, la formulación del problema y la justificación de esta investigación. Continuamos con las “Bases Teóricas”, la misma que comprende el sentido de los principios penales, el principio “Non bis in Idem”, la Reincidencia y la Problemática de la Reincidencia como vulneración del Principio Non bis in ídem. En la “Metodología”, encontramos la tipología y metodología de la investigación. En los “Resultados”,  están los análisis y la decisión final de las entrevistas y encuestas a Docentes y abogados especializados en el tema y al personal de Juzgados, Fiscalías y abogados, respectivamente, del Distrito Judicial de Iquitos de la Provincia de Maynas, región Loreto. En la “Discusión”, explicamos que la Reincidencia debe desaparecer porque va en contra del principio Non bis in ídem, colocando en las “Conclusiones” nuestra posición.

  7. Preparation of ferrocenyl imidazolines using bis(triphenyl)oxodiphosphonium trifluoromethanesulfonate

    Institute of Scientific and Technical Information of China (English)

    WANG XueQiang; XIA JiBao; DAI XiaoYang; YOU ShuLi

    2009-01-01

    An efficient synthesis of ferrocenyl imidazolines starting from ferrocenyl carboxylic acids has been developed.Bis(triphenyl)oxodiphosphonium trifluoromethanesulfonate was used to convert smoothly ferrocenyl carboxylic amides bearing an amine side chain,derived from ferrocenyl carboxylic acids and 1,2-diamines,to their corresponding ferrocenyl imidazolines.

  8. Preparation of ferrocenyl imidazolines using bis(triphenyl)oxodiphosphonium trifluoromethanesulfonate

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    An efficient synthesis of ferrocenyl imidazolines starting from ferrocenyl carboxylic acids has been developed. Bis(triphenyl)oxodiphosphonium trifluoromethanesulfonate was used to convert smoothly ferrocenyl carboxylic amides bearing an amine side chain, derived from ferrocenyl carboxylic acids and 1,2-diamines, to their corresponding ferrocenyl imidazolines.

  9. 3,5-Bis(2-hydroxybenzylidenepiperidin-4-one

    Directory of Open Access Journals (Sweden)

    Yum Eryanti

    2014-05-01

    Full Text Available The title compound, 3,5-bis(2-hydroxybenzylidenepiperidin-4-one (3, was prepared via reaction of 2-hydroxybenzaldehyde (1 and 4-piperidone (2 under microwave irradiation in the presence of 10% NaOH solution. The compound was fully characterized from its UV, IR, NMR and MS data.

  10. Electronic states of 1,4-bis(phenylethynyl)benzene

    DEFF Research Database (Denmark)

    Nguyen, Duy Duc; Jones, Nykola; Hoffmann, Søren Vrønning;

    2012-01-01

    The electronic transitions of 1,4-bis(phenylethynyl)benzene (BPEB) were investigated by UV synchrotron radiation linear dichroism (SRLD) spectroscopy in the range 25,000 – 58,000 cm–1 (400 – 170 nm) on molecular samples aligned in stretched polyethylene. The investigation was supported by variable...

  11. Multifunctional switches based on bis-imidazole derivative

    Indian Academy of Sciences (India)

    Abdullah M A Asiri; Gameel A Baghaffar; Khadija O Badahdah; Abdullah G M Al-Sehemi; Salman A Khan; Abeer A Bukhari

    2009-11-01

    multifunctional bis-imidazole derived from piperonal was prepared and found to have photo, thermo, solvato and peiezochromism with colour changes from pale green to deep blue. The multifunctionality colour changes and stability of the coloured species make the derivative candidates for various applications such as optical data storage. The photochromic properties and performance were found to be affected remarkably upon changing the solvent.

  12. A New Bis-iridoid Glucoside from Mussaenda incana

    Institute of Scientific and Technical Information of China (English)

    Biswanath DINDA; Sudhan DEBNATH; Santanu MAJUMDER; Shiho ARIMA; Nariko SATO; Yoshihiro HARIGAYA

    2006-01-01

    A new bis-iridoid glucoside, incaside 1 was isolated along with known iridoid, 6-0veratroylcatalposide from the stem-bark of Mussaenda incana. The structure of the new iridoid was established mainly on the basis of the spectroscopic (including 2D NMR) and chemical studies of its octaacetate 1a.

  13. Studies on bioactive bis-1,3,5-triazinyl dithiocarbamates

    Directory of Open Access Journals (Sweden)

    V. H. SHAH

    2007-07-01

    Full Text Available The compounds bis(4,6-dichloro/bis[(p-methoxyphenylamino]-1,3,5--triazin-2-yl1,2-hydrazine-1,2-dicarbodithioate/1,4-phenylenebis(carbamodithio­ate/(1,1’-biphenyl-4,4’-diylbis(carbamodithioate/(sulphonyldi-4,1-phenylene-bis(carbamodithioate/1,2-ethanediylbis(carbamothioate 4a–j were synthe­sized by two different methods. In the first method (A for the preparation of 4a–e, 2,4,6-tri­chloro-1,3,5-triazine 1 was condensed with diammonium 1,2-hy­drazine-1,2-di­carbo­dithioate/1,4-phenylenebis(carbamodithioate/(1,1’-biphenyl-4,4’diyl­bis(carba­mo­di­thioate/(sulphonyl-di-4,1-phenylene-bis(carbamodithioate/1,2-etha­nediylbis(car­bamodithioate 3a–e to afford 4a–e which undergo reaction with p-me­thoxyaniline to afford 4f–j. In the second method (B of preparation, 1 was condensed with p-me­thoxyaniline to yield 2 followed by the action of 3a–e to yield 4a–j. The structure of the newly synthesized compounds 4a–j was esta­blished on the basis of elemental analyses, as well as IR and 1H-NMR spec­tro­scopy. The antimicrobial activities of compounds 4a–j were determined by the cup‑plate method against gram-positive bacteria, gram-negative bacteria and fungi. All the synthesized compounds showed significant antimicrobial activity.

  14. Synthesis of fluorinated dimethacrylate monomer and its application in preparing Bis-GMA free dental resin.

    Science.gov (United States)

    Yin, Mei; Guo, Sen; Liu, Fang; He, Jingwei

    2015-11-01

    With the aim to reduce human exposure to Bis-phenol A derivatives, a novel fluorinated dimethacrylate monomer FUDMA was synthesized and mixed with triethyleneglycol dimethacrylate (TEGDMA) to prepare 2,2-bis[4-(2-hydroxy-3-methacryloy- loxypropyl)phenyl]propane (Bis-GMA) free dental resin system. Physicochemical properties, such as double bond conversion (DC), polymerization shrinkage (VS), water sorption (WS) and solubility (SL), flexural strength (FS) and modulus (FM), and fracture energy of FUDMA/TEGDMA resin system were investigated. Bis-GMA/TEGDMA resin system was used as a control. The results showed that, compared with Bis-GMA/TEGDMA resin system, FUDMA/TEGDMA had advantages like higher DC, lower VS, and higher fracture energy, but had no disadvantages. Therefore, FUDMA/TEGDMA resin system had better comprehensive physicochemical properties than Bis-GMA/TEGDMA resin system, and FUDMA had potential to be used as a substitute for Bis-GMA.

  15. Synthesis of bis-cellobiose and bis-glucose derivatives of azacrown macrocycles as hosts in complexes with acetylsalicylic acid and 4-acetamidophenol.

    Science.gov (United States)

    Pintal, Michalina; Kryczka, Bogusław; Marsura, Alain; Porwański, Stanisław

    2014-03-11

    Two new C2 symmetric bis-cellobiose and bis-glucose azacrown derivatives were prepared according to the one-step procedure using azacrown ethers and azidosaccharides. Their complexes with aspirin and paracetamol were studied with the use of proton NMR spectroscopy. It was found that these pseudocryptands bind aspirin and paracetamol but each one in a different manner.

  16. Method for synthesizing metal bis(borano) hypophosphite complexes

    Science.gov (United States)

    Cordaro, Joseph G.

    2013-06-18

    The present invention describes the synthesis of a family of metal bis(borano) hypophosphite complexes. One procedure described in detail is the syntheses of complexes beginning from phosphorus trichloride and sodium borohydride. Temperature, solvent, concentration, and atmosphere are all critical to ensure product formation. In the case of sodium bis(borano) hypophosphite, hydrogen gas was evolved upon heating at temperatures above 150.degree. C. Included in this family of materials are the salts of the alkali metals Li, Na and K, and those of the alkaline earth metals Mg and Ca. Hydrogen storage materials are possible. In particular the lithium salt, Li[PH.sub.2(BH.sub.3).sub.2], theoretically would contain nearly 12 wt % hydrogen. Analytical data for product characterization and thermal properties are given.

  17. New adjacent Bis-tetrahydrofuran Annonaceous acetogenins from Annona muricata.

    Science.gov (United States)

    Chang, Fang-Rong; Liaw, Chih-Chuang; Lin, Chih-Yuan; Chou, Chi-Jung; Chiu, Hui-Fen; Wu, Yang-Chang

    2003-03-01

    Bioactivity-guided fractionation led to the isolation of two new Annonaceous acetogenins, annocatacin A ( 1). and annocatacin B ( 2). from the seeds and the leaves, respectively, of Annona muricata. Compounds 1 and 2 are the first examples where the adjacent bis-tetrahydrofuran ring system is located at C-15. The new structures were elucidated and characterized by spectral and chemical methods. Both Annonaceous acetogenins 1 and 2 showed significant in vitro cytotoxicity toward the human hepatoma cell lines, Hep G2 and 2,2,15, and were compared with the known adjacent bis-tetrahydrofuran acetogenins, neoannonin ( 3). desacetyluvaricin ( 4). bullatacin ( 5). asimicin ( 6). annoglaucin ( 7). squamocin ( 8). and rollimusin ( 9).

  18. Interaction of DNA with Bis(diiminosuccinonitrilo)platinum(Ⅱ)

    Institute of Scientific and Technical Information of China (English)

    ZHANG Zhi-Gang; SUN Yuan-Yuan; JIANG Xiao-Ming

    2008-01-01

    Interaction of DNA with bis(diiminosuccinonitrilo)platinum(Ⅱ) has been studied by UV-visible absorbance spectra, fluorescence spectra and viscosity measurements. The UV-visible absorption spectra of the metal complex exhibit hypochromism with a small blue shift on interaction with DNA. Scatchard plot analyses indicate that the binding sites of the metal complex on DNA are different from those of ethidium bromide. Viscosity experiments reveal that the binding of the metal complex decreases the relative viscosity of DNA. These results suggest that the platinum diimine complex interact with DNA by surface binding. These studies are helpful for us to understand the action mechanism of bis(diiminosuccinonitrilo)platinum(Ⅱ) as a potential photodynamic therapeutic agent, and further to develop it.

  19. Investigation into {sup 64}Cu-labeled Bis(selenosemicarbazone) and Bis(thiosemicarbazone) complexes as hypoxia imaging agents

    Energy Technology Data Exchange (ETDEWEB)

    McQuade, Paul [Mallinckrodt Institute of Radiology, Washington University School of Medicine, St. Louis, MO 63110 (United States); Martin, Katherine E. [Biosciences Department, University of Kent, Canterbury CT2 7NJ (United Kingdom); Castle, Thomas C. [Biosciences Department, University of Kent, Canterbury CT2 7NJ (United Kingdom); Went, Michael J. [Biosciences Department, University of Kent, Canterbury CT2 7NJ (United Kingdom); Blower, Philip J. [Biosciences Department, University of Kent, Canterbury CT2 7NJ (United Kingdom); Welch, Michael J. [Mallinckrodt Institute of Radiology, Washington University School of Medicine, St. Louis, MO 63110 (United States); Alvin J. Siteman Cancer Center, Washington University School of Medicine, St. Louis, MO 63110 (United States); Lewis, Jason S. [Mallinckrodt Institute of Radiology, Washington University School of Medicine, St. Louis, MO 63110 (United States); Alvin J. Siteman Cancer Center, Washington University School of Medicine, St. Louis, MO 63110 (United States)]. E-mail: j.s.lewis@wustl.edu

    2005-02-01

    Background: Cu-diacetyl-bis(N{sup 4}-methylthiosemicarbazone) [Cu-ATSM], although excellent for oncology applications, may not be suitable for delineating cardiovascular or neurological hypoxia. For this reason, new Cu hypoxia positron emission tomography (PET) imaging agents are being examined to search for a higher selectivity for hypoxic or ischemic tissue at higher oxygen concentrations found in these tissues. Two approaches are to increase alkylation or to replace the sulfur atoms with selenium, resulting in the formation of selenosemicarbazones. Methods: Three {sup 64}Cu-labeled selenosemicarbazone complexes were synthesized and one was screened for hypoxia selectivity in vitro using EMT-6 mouse mammary carcinoma cells. Rodent biodistribution and small animal PET images were obtained from BALB/c mice implanted with EMT-6 tumors. One alkylated thiosemicarbazone was synthesized and examined. Results: Of the three bis(selenosemicarbazone) ligands synthesized and examined, only {sup 64}Cu-diacetyl-bis(selenosemicarbazone) [{sup 64}Cu-ASSM] was isolated in high-enough radiochemical purity to undertake cell uptake experiments where uptake was shown to be independent of oxygen concentration. The bis(thiosemicarbazone) complex synthesized, {sup 64}Cu-diacetyl-bis(N{sup 4}-ethylthiosemicarbazone) [{sup 64}Cu-ATSE], showed hypoxia selectivity similar to {sup 64}Cu-ATSM although at a higher oxygen concentration. Biodistribution studies for {sup 64}Cu-ASSM and {sup 64}Cu-ATSE showed high tumor uptake at 20 min ({sup 64}Cu-ASSM, 10.33{+-}0.78% ID/g; {sup 64}Cu-ATSE, 7.71{+-}0.46% ID/g). PET images of EMT-6 tumor-bearing mice visualized the tumor with {sup 64}Cu-ATSE and revealed hypoxia selectivity consistent with the in vitro data. Conclusion: Of the compounds synthesized, only {sup 64}Cu-ASSM and {sup 64}Cu-ATSE could be examined in vitro and in vivo. Although the stability of bis(selenosemicarbazone) complexes increased upon addition of methyl groups to the diimine

  20. Investigation into 64Cu-labeled Bis(selenosemicarbazone) and Bis(thiosemicarbazone) complexes as hypoxia imaging agents

    International Nuclear Information System (INIS)

    Background: Cu-diacetyl-bis(N4-methylthiosemicarbazone) [Cu-ATSM], although excellent for oncology applications, may not be suitable for delineating cardiovascular or neurological hypoxia. For this reason, new Cu hypoxia positron emission tomography (PET) imaging agents are being examined to search for a higher selectivity for hypoxic or ischemic tissue at higher oxygen concentrations found in these tissues. Two approaches are to increase alkylation or to replace the sulfur atoms with selenium, resulting in the formation of selenosemicarbazones. Methods: Three 64Cu-labeled selenosemicarbazone complexes were synthesized and one was screened for hypoxia selectivity in vitro using EMT-6 mouse mammary carcinoma cells. Rodent biodistribution and small animal PET images were obtained from BALB/c mice implanted with EMT-6 tumors. One alkylated thiosemicarbazone was synthesized and examined. Results: Of the three bis(selenosemicarbazone) ligands synthesized and examined, only 64Cu-diacetyl-bis(selenosemicarbazone) [64Cu-ASSM] was isolated in high-enough radiochemical purity to undertake cell uptake experiments where uptake was shown to be independent of oxygen concentration. The bis(thiosemicarbazone) complex synthesized, 64Cu-diacetyl-bis(N4-ethylthiosemicarbazone) [64Cu-ATSE], showed hypoxia selectivity similar to 64Cu-ATSM although at a higher oxygen concentration. Biodistribution studies for 64Cu-ASSM and 64Cu-ATSE showed high tumor uptake at 20 min (64Cu-ASSM, 10.33±0.78% ID/g; 64Cu-ATSE, 7.71±0.46% ID/g). PET images of EMT-6 tumor-bearing mice visualized the tumor with 64Cu-ATSE and revealed hypoxia selectivity consistent with the in vitro data. Conclusion: Of the compounds synthesized, only 64Cu-ASSM and 64Cu-ATSE could be examined in vitro and in vivo. Although the stability of bis(selenosemicarbazone) complexes increased upon addition of methyl groups to the diimine backbone, the fully alkylated species, 64Cu-ASSM, demonstrated no hypoxia selectivity. However

  1. BIS-mediated STAT3 stabilization regulates glioblastoma stem cell-like phenotypes

    Science.gov (United States)

    Im, Chang-Nim; Yun, Hye Hyeon; Song, Byunghoo; Youn, Dong-Ye; Cui, Mei Nu; Kim, Hong Sug; Park, Gyeong Sin; Lee, Jeong-Hwa

    2016-01-01

    Glioblastoma stem cells (GSCs) are a subpopulation of highly tumorigenic and stem-like cells that are responsible for resistance to conventional therapy. Bcl-2-intreacting cell death suppressor (BIS; also known as BAG3) is an anti-apoptotic protein that is highly expressed in human cancers with various origins, including glioblastoma. In the present study, to investigate the role of BIS in GSC subpopulation, we examined the expression profile of BIS in A172 and U87-MG glioblastoma cell lines under specific in vitro culture conditions that enrich GSC-like cells in spheres. Both BIS mRNA and protein levels significantly increased under the sphere-forming condition as compared with standard culture conditions. BIS depletion resulted in notable decreases in sphere-forming activity and was accompanied with decreases in SOX-2 expression. The expression of STAT3, a master regulator of stemness, also decreased following BIS depletion concomitant with decreases in the nuclear levels of active phosphorylated STAT3, while ectopic STAT3 overexpression resulted in recovery of sphere-forming activity in BIS-knockdown glioblastoma cells. Additionally, immunoprecipitation and confocal microscopy revealed that BIS physically interacts with STAT3. Furthermore, BIS depletion increased STAT3 ubiquitination, suggesting that BIS is necessary for STAT3 stabilization in GSC-like cells. BIS depletion also affected epithelial-to-mesenchymal transition-related genes as evidenced by decrease in SNAIL and MMP-2 expression and increase in E-cadherin expression in GSC-like cells. Our findings suggest that high levels of BIS expression might confer stem-cell-like properties on cancer cells through STAT3 stabilization, indicating that BIS is a potential target in cancer therapy. PMID:27145367

  2. UNIVERSAL JURISDICTION AND THE PRINCIPLE OF NE BIS IN IDEM

    Directory of Open Access Journals (Sweden)

    MIHAELA AGHENITEI

    2011-04-01

    Full Text Available Universal jurisdiction was defined as “the assertion of jurisdiction to prescribe in the absence of any other accepted jurisdictional nexus at the time of the relevant conduct.” Professor Randall, in his seminal work on universal jurisdiction, opined that the theory of universality “provides every state with jurisdiction over a limitedcategory of offenses generally recognized as of universal concern, regardless of the situs of the offence and the nationalities of the offender and the offended. ”Universal jurisdiction is considered a tool for promoting greater justice, but the rights of the accused must be protected. One of the most important guarantees is the principle of ne bis in idem, which protected persons against multiple prosecutions for the same crime. The main legal consequence of the application of ne bis in idem in most systems is the prohibition and inadmissibility of subsequent prosecutions on the same facts blocking effect.The national ne bis in idem principle is established asan individual right in international human rights legal instruments, such as the International Covenant on Civil and Political Rights of 19 December 1966, in Article 14(7. At the regional level, Article 8(4 of the American Convention of Human Rights (1969 and Article 4 (I of the Seventh Protocol of the European Convention of Human Rights merit mention. In Europe, the ne bis in idem principle is enshrined in Article 54 of the Convention implementing the Schengen Agreement of 14 June 1985, which prohibits the initiation of a second trial for the same offence when final judgment has been imposed upon a person by a court of a contracting party.

  3. SYNTHESIS AND PROPERTIES OF POLYMERIC BIS (ETHYLENEDITHIO)-TETRATHIAFULVALENES

    Institute of Scientific and Technical Information of China (English)

    1998-01-01

    A polymer containing bis(ethylenedithio)-tetrathiafulvalene moiety was synthesized and its electrochemical properties were studied by cyclic voltammetry. The charge transfer complexes of the polymer with TCNQ and I2 were obtained by chemical oxidation in dichlorobenzene. All of them are semi-conductors. A film of the polymer was obtained by casting. Its conductivity, after oxidation with iodine, is 2.24×10-6S ·cm-1 and its conducting state is stable in air.

  4. Regioselective synthesis of chiral dimethyl-bis(ethylenedithiotetrathiafulvalene sulfones

    Directory of Open Access Journals (Sweden)

    Flavia Pop

    2015-07-01

    Full Text Available Enantiopure (R,R and (S,S-dimethyl-bis(ethylenedithiotetrathiafulvalene monosulfones have been synthesized by the aerial oxidation of the chiral dithiolates generated from the propionitrile-protected precursors. Both enantiomers crystallize in the orthorhombic chiral space group P212121. They show a boat-type conformation of the TTF moiety, a rather rigid dithiin sulfone ring and the methyl groups in a bisequatorial conformation. Cyclic voltammetry measurements indicate fully reversible oxidation in radical cation and dication species.

  5. Was photosynthetic RuBisCO recruited by acquisitive evolution from RuBisCO-like proteins involved in sulfur metabolism?

    Science.gov (United States)

    Ashida, Hiroki; Danchin, Antoine; Yokota, Akiho

    2005-01-01

    Genome analyses have revealed that the genomes of non-photosynthetic bacteria including Bacillus subtilis code for proteins similar to the large subunit of RuBisCO (called RuBisCO-like protein (RLP)). This raises a fundamental question as to their functional relationship to photosynthetic RuBisCO. Recently, we identified the RLP of B. subtilis as the 2,3-diketo-5-methylthiopentyl-1-phosphate enolase in the methionine salvage pathway. In this mini-review, we suggest functional and evolutionary links between B. subtilis RLP and photosynthetic RuBisCO. Furthermore, we propose that photosynthetic RuBisCOs evolved from RLPs similar to that found in B. subtilis.

  6. π-Conjugated bis(terpyridine)metal complex molecular wires.

    Science.gov (United States)

    Sakamoto, Ryota; Wu, Kuo-Hui; Matsuoka, Ryota; Maeda, Hiroaki; Nishihara, Hiroshi

    2015-11-01

    Bottom-up approaches have gained significant attention recently for the creation of nano-sized, ordered functional structures and materials. Stepwise coordination techniques, in which ligand molecules and metal sources are reacted alternatively, offer several advantages. Coordination bonds are stable, reversible, and self-assembling, and the resultant metal complex motifs may contain functionalities unique to their own characteristics. This review focuses on metal complex wire systems, specifically the bottom-up fabrication of linear and branched bis(terpyridine)metal complex wires on electrode surfaces. This system possesses distinct and characteristic electronic functionalities, intra-wire redox conduction and excellent long-range electron transport ability. This series of comprehensive studies exploited the customizability of bis(terpyridine)metal complex wires, including examining the influence of building blocks. In addition, simple yet effective electron transfer models were established for redox conduction and long-range electron transport. A fabrication technique for an ultra-long bis(terpyridine)metal complex wire is also described, along with its properties and functionalities. PMID:25864838

  7. Synthesis and DFT calculation on novel derivatives of Bis (indolyl) methanes

    Science.gov (United States)

    Zarandi, Maryam; Salimi Beni, Alireza

    2016-09-01

    Bis (indolyl) methane derivatives are an important class of biomolecules and heterocyclic scaffold of organic compounds. To extension novel Bis (indolyl) methane derivatives, two new aldehydes have been applied. In order to structural investigation, the optimized geometry, total energy, potential energy surface and vibrational wavenumbers of Bis (indolyl) methanes have been determined using DFT/B3LYP method with 6-31G (d) basis set. A complete vibrational assignment is provided for the observed IR spectra of Bis (indolyl) methanes. These methods are proposed as a tool to be applied in the structural characterization of Bis (indolyl) methanes. The isotropic chemical shift computed by 1H and 13C NMR chemical shifts of the Bis (indolyl) methanes, calculated using the GIAO method, shows good agreement with experimental observations. The calculated HOMO and LUMO with frontier orbital gap are presented in order to predict antibacterial properties.

  8. Hydrazonoyl Chlorides as Precursors for Synthesis of Novel Bis-Pyrrole Derivatives

    Directory of Open Access Journals (Sweden)

    Nabila Abdelshafy Kheder

    2016-03-01

    Full Text Available A convenient synthesis of some novel bis-pyrrole derivatives via hydrazonoyl halides is described. Antimicrobial evaluation of some selected examples of the synthesized products was carried out. The bis-pyrrole derivative having chloro substituents showed good activity against all of the used microbes. The molecular docking of the bis-pyrrole derivatives was performed by the Molecular Operating Environment (MOE program.

  9. Are Business Incubators helping? The role of BIs in facilitating tenants’ development

    OpenAIRE

    Ratinho, Tiago; Harms, Rainer; Groen, Aard

    2010-01-01

    Business incubators (BI) are among a variety of initiatives to stimulate economic growth by promoting the creation and development of new companies. The rapid growth of BIs in recent years confirms their importance in the economic fabric. In this study, we conceptualize BIs using insights from knowledge based theory of the firm, resource-based view thinking and capabilities literature. BIs will be seen as service providers geared towards helping their tenants in solving developmental problems...

  10. Preparation and reactivity towards hydrazines of bis(cyanamide) and bis(cyanoguanidine) complexes of the iron triad.

    Science.gov (United States)

    Albertin, Gabriele; Antoniutti, Stefano; Caia, Alfonso; Castro, Jesús

    2014-05-21

    Bis(diethylcyanamide) [Fe(N≡CNEt2)2L4](BPh4)2 1a and bis(cyanoguanidine) [Fe{N≡CN(H)C(NH2)=NH}2L4](BPh4)2 1b [L = P(OEt)3] complexes were prepared by allowing iron(II) chloride to react first with an excess of P(OEt)3 and then of the appropriate cyanamide, followed by addition of an excess of NaBPh4. Instead, bis(complexes) of ruthenium and osmium [M(N≡CNEt2)2L4](BPh4)2 2a, 3a and [M{N≡CN(H)C(NH2)=NH}2L4](BPh4)2 2b, 3b (M = Ru 2, Os 3) were prepared by reacting hydrides MH2L4 first with either triflic acid HOTf or methyltriflate MeOTf and then with an excess of the appropriate cyanamide. Hydride-diethylcyanamide [MH(N≡CNEt2)L4]BPh4 4a, 5a and hydride-cyanoguanidine complexes [MH{N≡CN(H)C(NH2)=NH}L4](BPh4)2 4b, 5b (M = Ru 4, Os 5) were also obtained by reacting MH2L4 first with one equivalent of HOTf or MeOTf and then with the appropriate cyanamide. Treatment of bis(cyanamide) and bis(cyanoguanidine) complexes 1-3 with hydrazines RNHNH2 afforded hydrazinecarboximidamide derivatives [M{η(2)-N(H)=C(NEt2)N(R)NH2}L4](BPh4)2 6a-12a and [M{η(2)-N(H)=C[N=C(NH2)2]N(R)NH2}L4](BPh4)2 6b-12b (M = Fe 6-8, Ru 9, 10, Os 11, 12; R = H 6, 9, 11, Me 7, 10, 12, Ph 8). A reaction path involving nucleophilic attack by hydrazine on the cyanamide carbon atom is proposed. All the complexes were characterised by spectroscopy and X-ray crystal structure determination of [Os{η(2)-NH=C[N=C(NH2)2]N(CH3)NH2}{P(OEt)3}4](BPh4)2 12b. PMID:24691705

  11. Polymerization contraction and conversion of light-curing BisGMA-based methacrylate resins.

    Science.gov (United States)

    Venhoven, B A; de Gee, A J; Davidson, C L

    1993-09-01

    The aim of this study was to investigate the polymerization contraction and the conversion of light-curing methacrylate resins based on bisphenol-A bis(2-hydroxypropyl)methacrylate (BisGMA) diluted with triethylene glycol dimethyacrylate (TEGDMA), methyl methacrylate (MMA), hydroxypropyl methacrylate (HPMA) or (+/-)-2-ethylhexyl methacrylate (EHMA). The contraction measurements were carried out with a linometer, a simple device to determine true linear polymerization contraction of liquid monomers at ambient temperature. The contraction increased with the amount of diluting monomer. The estimated conversion of the BisGMA-TEGDMA, calculated using the contraction, is consistent with literature values. The BisGMA-HPMA mixtures showed high conversions at moderate contraction.

  12. Comparative effects of eugenol to bis-eugenol on oral mucous membranes.

    Science.gov (United States)

    Fujisawa, S; Okada, N; Muraoka, E

    2001-09-01

    The purpose of this study was to evaluate the histopathological effect of eugenol and bis-eugenol on oral mucous membranes at the tissue organ level. Oral mucous membranes of mice were applied with three reagents, eugenol, bis-eugenol, and acetone (as the control). The control group showed a normal architecture. The eugenol group showed severe hyperkeratosis, parakeratosis, cellular edema, patchy chronic inflammation, pleomorphism and hyperchromatism of basal layer cells, indicating high mitotic activity. Comparatively, the bis-eugenol group showed mild hyperkeratosis, parakeratosis, however, the shape or arrangement of basal layer cells were normal. Bis-eugenol was considerably less toxic than eugenol.

  13. The use of Bispectral Index (BIS values as an indicator for sleep staging

    Directory of Open Access Journals (Sweden)

    Evangelia Nena

    2009-01-01

    Full Text Available SUMMARY. The aim of this study was to examine whether BIS values during sleep correspond to the different sleep stages, in order to assess BIS as an alternative means of sleep staging. Patients-Methods: The study was conducted on 23 patients who were examined concurrently with polysomnography (PSG for diagnosing sleep-disordered breathing and with BIS. Exclusion criteria were sleep duration <4 hours, sleep efficiency <80% on PSG and signal quality index (SQI <50% on BIS. Comparisons in recordings were performed. Results: The patients provided 806 different sleep periods. The mean BIS value was 93.6±4.8 in the wakeful state, and in sleep, according to each stage: 84±11.5 in stage 1, 75.4±13.2 in stage 2, 53.4±15.8 in slow wave sleep (SWS, and 81.5±13.3 during REM sleep. A significant difference was observed between BIS values in the wakeful state and stage 1 (p<0.005 and between stages 1 and 2 and SWS (p<0.001, but not between stage 1 and REM (p=0.102. Conclusion: BIS values decrease with sleep and remain low, with the exception of REM sleep, the BIS values in which overlap with those in stage 1, reducing the sensitivity of BIS in sleep staging. Pneumon 2009, 22(3:230-239.

  14. [μ-1,2-Bis(diphenylphosphinoethane-κ2P:P′]bis{[1,2-bis(diphenylphosphinoethane-κ2P,P′]cyanidocopper(I} methanol disolvate

    Directory of Open Access Journals (Sweden)

    Rong Wang

    2010-08-01

    Full Text Available The title centrosymmetric complex, [Cu2(CN2(C26H24P23]·2CH3OH, consists of two five-membered [Cu(dppeCN] rings [dppe is 1,2-bis(diphenylphosphinoethane] bridged by one μ2-dppe ligand, and two methanol solvent molecules. The angles around the central metal atom indicate that each CuI atom is located in the center of a distorted tetrahedron. The coordination sphere of each CuI atom is formed by three P atoms from two dppe ligands, and one C atom from the cyanide ligand. The crystal structure is stabilized by O—H...N hydrogen bonds, which are formed by the O—H donor group from methanol and the N-atom acceptor from a cyanide ligand.

  15. Bis[4-bromo-2-(cyclo­pentyl­imino­meth­yl)phenolato]copper(II)

    OpenAIRE

    Cai, Bang-Hong

    2009-01-01

    The title compound, [Cu(C12H13BrNO)2], was prepared by the reaction of 5-bromo­salicylaldehyde, cyclo­pentyl­amine and copper(II) acetate in an ethanol solution. The CuII atom lies on an inversion center and is four-coordinated in a square-planar geometry by two N and two O atoms from two 4-bromo-2-(cyclo­pentyl­imino­meth­yl)phenolate Schiff base ligands.

  16. Application of Flow Thermolysis in Organic Synthesis: Easy Access to α,ω-Bis Thienyl- and Bis Pyrrolyl- Alkanes from Methylene Derivatives of Meldrum's Acid

    Directory of Open Access Journals (Sweden)

    Hamid Dhimane

    2000-10-01

    Full Text Available Thermal decomposition of Meldrum's acid derivatives and rearrangement of (alkylsulfanyl or (propargylaminomethylene ketene intermediates leads in one step to bis thienyl- or bis pyrrolyl-alkanes.

  17. Synthesis, spectral characterization, structural investigation and antimicrobial studies of mononuclear Cu(II), Ni(II), Co(II), Zn(II) and Cd(II) complexes of a new potentially hexadentate N2O4 Schiff base ligand derived from salicylaldehyde

    Science.gov (United States)

    Keypour, Hassan; Shayesteh, Maryam; Rezaeivala, Majid; Chalabian, Firoozeh; Elerman, Yalcin; Buyukgungor, Orhan

    2013-01-01

    A new potentially hexadentate N2O4 Schiff base ligand, H2L derived from condensation reaction of an aromatic diamine and salicylaldehyde, and its metal complexes were characterized by elemental analyses, IR, UV-Vis, EI-MS, 1H and 13C NMR spectra, as well as conductance measurements. It has been originated that the Schiff base ligand with Cu(II), Ni(II), Co(II), Cd(II) and Zn(II) ions form mononuclear complexes on 1:1 (metal:ligand) stoichiometry. The conductivity data confirm the non-electrolytic nature of the complexes. Also the crystal structures of the complexes [ZnL] and [CoL] have also been determined by using X-ray crystallographic technique. The Zn(II) and Co(II) complexes show a tetrahedral configuration. Electronic absorption spectra of the Cu(II) and Ni(II) complexes suggest a square-planar geometry around the central metal ion. The synthesized compounds have antibacterial activity against the three Gram-positive bacteria: Bacillus cereus, Enterococcus faecalis and Listeria monocytogenes and also against the three Gram-negative bacteria: Salmonella paraB, Citrobacter freundii and Enterobacter aerogenes. The results showed that in some cases the antibacterial activity of complexes were more than nalidixic acid and amoxicillin as standards.

  18. 40 CFR 721.10143 - Amines, bis (C11-14-branched and linear alkyl).

    Science.gov (United States)

    2010-07-01

    ... linear alkyl). 721.10143 Section 721.10143 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.10143 Amines, bis (C11-14-branched and linear alkyl). (a) Chemical..., bis (C11-14-branched and linear alkyl) (PMN P-06-733; CAS No. 900169-60-0) is subject to...

  19. 40 CFR 721.10049 - Phenol, 4,4′- cyclohexylidene bis[2-methyl-.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Phenol, 4,4â²- cyclohexylidene bis[2... Specific Chemical Substances § 721.10049 Phenol, 4,4′- cyclohexylidene bis[2-methyl-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as a...

  20. On the sequence selective bis-intercalation of a homodimeric thiazole orange dye in DNA

    DEFF Research Database (Denmark)

    Bunkenborg, Jakob; Stidsen, M M; Jacobsen, J P

    1998-01-01

    The thiazole orange dye 1,1'-(4,4,8,8-tetramethyl-4, 8-diazaundecamethylene)-bis-4-[(3-methyl-2,3-dihydro(benzo-1, 3-thiazolyl)-2-methylidene]quinolinium tetraiodide (TOTO) binds sequence selectively to double-stranded DNA (dsDNA) by bis-intercalation. Each chromophore is sandwiched between two...

  1. Cyclohexane bis-urea compounds for the gelation of water and aqueous solutions

    NARCIS (Netherlands)

    de Loos, M; Friggeri, A; van Esch, J; Kellogg, RM; Feringa, Bernard

    2005-01-01

    A new class of efficient hydrogelators has been developed by a simple modification of the peripheral substituents of cyclohexane bis-urea organogelators with hydrophilic hydroxy or amino functionalities. These bis-urea hydrogelators were synthesised in two or three steps using an alternative procedu

  2. Ne bis in idem põhimõte Euroopa Liidu õiguses / Uno Lõhmus

    Index Scriptorium Estoniae

    Lõhmus, Uno, 1952-

    2009-01-01

    Ne bis in idem põhimõtte ehk teistkordse kohtumõistmise ja karistamise keelu territoriaalsest kohaldamisest. Schengeni rakenduskonventsiooni artiklis 54 sisalduva ne bis in idem põhimõtte tõlgendustest. Mõistetest "sama tegu" ja "lõplik kohtuotsus"

  3. Are Business Incubators helping? The role of BIs in facilitating tenants’ development

    NARCIS (Netherlands)

    Ratinho, Tiago; Harms, Rainer; Groen, Aard

    2010-01-01

    Business incubators (BI) are among a variety of initiatives to stimulate economic growth by promoting the creation and development of new companies. The rapid growth of BIs in recent years confirms their importance in the economic fabric. In this study, we conceptualize BIs using insights from knowl

  4. On peculiarities of thermal and thermaloxidative destruction of 1.2-bis-(4-hydroxyphenyl) carborane and 1.2-bis-(4-carboxyphenyl) carborane polyarylates

    International Nuclear Information System (INIS)

    Difference in the behaviour of crystalic and amorphous samples of polyarylate 1.2-bis(4-oxyphenyl) carboron and 1.2-bis-(4-carboxyphenyl) carboron when heating is shown. It can be conditioned by the difference in the molecular mobility at 280-380 deg C. It was established that destruction of carboron containing polymers processes in the medium temperature region are leading to the formation of structures with B-O bounds

  5. ‘Transnationalising’ Ne Bis In Idem: How the Rule of Ne Bis In Idem Reveals the Principle of Personal Legal Certainty

    Directory of Open Access Journals (Sweden)

    Juliette Lelieur

    2013-09-01

    Full Text Available Since Article 54 of the Convention implementing the Schengen Agreement gave the rule of ne bis in idem a transnational dimension, talk of the ‘transnational ne bis in idem principle’ has been commonplace. Thus, when looking for general principles of transnational criminal law, scholars refer to the principle of ‘transnational ne bis in idem’. It is doubtful, however, that ne bis in idem qualifies as a principle of law. It should be regarded, rather, as a rule of criminal procedure, traditionally based on the principle of res judicata. Giving the rule of ne bis in idem a transnational dimension therefore requires either transnationalising the principle of res judicata, or giving the rule of ne bis in idem a new foundation.The principle of res judicata principally serves the credibility of the justice system in a given jurisdiction by prohibiting several tribunals, all acting within the parameters of their jurisdiction, from contradicting each other’s interpretation of the same facts. For this reason, the principle of res judicata does not provide an adequate basis for a transnationalised rule of ne bis in idem.From a human rights perspective, multiple prosecutions against the same person for the same facts collides with protecting individuals against arbitrary judicial treatment. This is true whether the multiple prosecutions all take place in one country or in several different countries. The rule of ne bis in idem could therefore be regarded as a manifestation of the (new ‘principle of personal legal certainty’.

  6. Two organophosphorus flame retardants, resorcinol bis (diphenylphosphate)(PBDPP) and bisphenol A bis (diphenylphosphate) (BPA-BDPP) used as alternatives for BDE209 detected in dust

    OpenAIRE

    Brandsma, Sicco H.; Sellström, Ulla; de Wit, Cynthia A.; de Boer, Jacob; Leonards, Pim E.G.

    2013-01-01

    Resorcinol bis(diphenylphosphate) (RBDPP) and bisphenol A bis(diphenylphosphate) (BPA-BDPP) are two halogen-free organophosphorus flame retardant (PFRs) that are used as an alternative for the decabromodiphenyl ether (Deca-BDE) technical mixture in TV/flatscreen housing and other electronic consumer products.' In this study, dust samples were collected from various microenvironments in The Netherlands (houses, cars), Greece.(houses), and Sweden (apartments, cars, furniture stores, electronics...

  7. Revised Reinforcement Sensitivity Theory and Laboratory Assessment of BIS and BAS in Children.

    Science.gov (United States)

    Colder, Craig R; Trucco, Elisa M; Lopez, Hector I; Hawk, Larry W; Read, Jennifer P; Lengua, Liliana J; Weiczorek, William F; Eiden, Rina D

    2011-04-01

    There is considerable interest in Gray's reinforcement sensitivity theory. However, few measures of the behavioral approach (BAS) and inhibition systems (BIS) exist for children. Moreover, the theory was substantially revised a decade ago and measurement instruments are still largely based on the old theory. Our aim was to revise questionnaire and laboratory assessments of BIS and BAS for children. Performance on the Point Scoring Reaction Time Task for Children Revised (PSRTT-CR) conformed to theoretical expectations. Caregiver reports of BIS and BAS were associated with corresponding PSRTT-CR indices, suggesting cross-method convergent and discriminant validity. There was convergence with physiological correlates of BAS, but not physiological correlates of BIS. Overall, our revised measures represent promising instruments of children's BIS and BAS. PMID:21603055

  8. Laser-induced forward transfer of a bis-pyrene compound for OTFTs

    International Nuclear Information System (INIS)

    Graphical abstract: - Highlights: • 1,4-Bis(octyloxy)-2,5-bis(ethynylpyrene)benzene (“bis-pyrene”) films are synthesized. • Laser-based technology is used to print bis-pyrene pixels for OTFT devices. • The structure and electrical properties of the transistors are discussed. - Abstract: We present results on a newly synthesized bis-pyrene compound that, besides the typical fluorescence, also exhibits semiconducting properties. Thin films have been grown by vacuum thermal evaporation on oxidized silicon and on transparent quartz substrates. Micrometric-sized pixels have subsequently been printed by laser-induced forward transfer (LIFT), in air and at low pressure (90 mbar), by using a Nd:YAG laser source (355 nm, 50 ps pulse duration) to produce functional organic thin film transistors (o-TFTs). Top-contact (TC) configurations are emphasized, and the influence of the pressure and laser fluence during the LIFT procedure is discussed

  9. Stabilization of N,N′-bis(3-methylphenyl)-N,N′-bis(phenyl)benzidine thin film morphology with UV light

    Energy Technology Data Exchange (ETDEWEB)

    Tomović, A.Ž.; Markešević, N. [Institute of Physics, University of Belgrade, Pregrevica 118, 11000 Belgrade (Serbia); Scarpellini, M.; Bovio, S. [Interdisciplinary Centre for Nanostructured Materials and Interfaces (CIMAINA), Università di Milano, Via Celoria 16, 20133 Milan (Italy); Lucenti, E. [Interdisciplinary Centre for Nanostructured Materials and Interfaces (CIMAINA), Università di Milano, Via Celoria 16, 20133 Milan (Italy); Institute of Molecular Science and Technology of CNR, via Golgi 19, 20133 Milan (Italy); Milani, P. [Interdisciplinary Centre for Nanostructured Materials and Interfaces (CIMAINA), Università di Milano, Via Celoria 16, 20133 Milan (Italy); Zikic, R. [Institute of Physics, University of Belgrade, Pregrevica 118, 11000 Belgrade (Serbia); Jovanović, V.P., E-mail: vladimir.jovanovic@ipb.ac.rs [Institute of Physics, University of Belgrade, Pregrevica 118, 11000 Belgrade (Serbia); Srdanov, V.I. [Interdisciplinary Centre for Nanostructured Materials and Interfaces (CIMAINA), Università di Milano, Via Celoria 16, 20133 Milan (Italy)

    2014-07-01

    Owing to their low glass transition temperature, T{sub g}, amorphous thin films of N,N′-bis(3-methylphenyl)-N,N′-bis(phenyl)benzidine (TPD) undergo morphological changes even at room temperature. It has been noticed previously that exposure to UV light can increase apparent T{sub g} of TPD films and thus stabilize their morphology. However, the reason behind increase in structural stability was not examined at the time. Here we present evidence that TPD molecules undergo photo-oxidation in air when exposed to λ ≈ 350 nm radiation and that less than 5% of the photo-oxidized species are needed to prevent dewetting of thin TPD films. We propose that photo-oxidized TPD species bind strongly to both ordinary TPD molecules and to terminal hydroxyl groups at the substrate surface, which decreases mobility of TPD molecules and makes thin TPD film less prone to morphology changes. - Highlights: • We made variable thickness TPD films and exposed them to UV light under ambient conditions. • Mass spectroscopy and proton NMR measurements of irradiated and pristine TPD films • TPD molecules undergo oxidation process under UV light irradiation. • Dipole–dipole interactions may be responsible for stabilization of morphological changes.

  10. Development of bis-locked nucleic acid (bisLNA) oligonucleotides for efficient invasion of supercoiled duplex DNA

    DEFF Research Database (Denmark)

    Moreno, Pedro M D; Geny, Sylvain; Pabon, Y Vladimir;

    2013-01-01

    In spite of the many developments in synthetic oligonucleotide (ON) chemistry and design, invasion into double-stranded DNA (DSI) under physiological salt and pH conditions remains a challenge. In this work, we provide a new ON tool based on locked nucleic acids (LNAs), designed for strand invasion...... into duplex DNA (DSI). We thus report on the development of a clamp type of LNA ON-bisLNA-with capacity to bind and invade into supercoiled double-stranded DNA. The bisLNA links a triplex-forming, Hoogsteen-binding, targeting arm with a strand-invading Watson-Crick binding arm. Optimization was carried out...... by varying the number and location of LNA nucleotides and the length of the triplex-forming versus strand-invading arms. Single-strand regions in target duplex DNA were mapped using chemical probing. By combining design and increase in LNA content, it was possible to achieve a 100-fold increase in potency...

  11. Stabilization of N,N′-bis(3-methylphenyl)-N,N′-bis(phenyl)benzidine thin film morphology with UV light

    International Nuclear Information System (INIS)

    Owing to their low glass transition temperature, Tg, amorphous thin films of N,N′-bis(3-methylphenyl)-N,N′-bis(phenyl)benzidine (TPD) undergo morphological changes even at room temperature. It has been noticed previously that exposure to UV light can increase apparent Tg of TPD films and thus stabilize their morphology. However, the reason behind increase in structural stability was not examined at the time. Here we present evidence that TPD molecules undergo photo-oxidation in air when exposed to λ ≈ 350 nm radiation and that less than 5% of the photo-oxidized species are needed to prevent dewetting of thin TPD films. We propose that photo-oxidized TPD species bind strongly to both ordinary TPD molecules and to terminal hydroxyl groups at the substrate surface, which decreases mobility of TPD molecules and makes thin TPD film less prone to morphology changes. - Highlights: • We made variable thickness TPD films and exposed them to UV light under ambient conditions. • Mass spectroscopy and proton NMR measurements of irradiated and pristine TPD films • TPD molecules undergo oxidation process under UV light irradiation. • Dipole–dipole interactions may be responsible for stabilization of morphological changes

  12. Bis(acesulfamato-kappa2N3,O4)bis(2-aminopyrimidine-kappaN1)copper(II).

    Science.gov (United States)

    Bulut, Ahmet; Içbudak, Hasan; Sezer, Gözde; Kazak, Canan

    2005-05-01

    In the crystal structure of the title compound, bis(2-aminopyrimidine-kappaN1)bis[6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide(1-)-kappa2N3,O4]copper(II), [Cu(C4H4NO4S)2(C4H5N3)2], the first mixed-ligand complex of acesulfame, the CuII centre resides on a centre of symmetry and has an octahedral geometry that is distorted both by the presence of four-membered chelate rings and by the Jahn-Teller effect. The equatorial plane is formed by the N atoms of two aminopyrimidine (ampym) ligands and by the weakly basic carbonyl O atoms of the acesulfamate ligands, while the more basic deprotonated N atoms of these ligands are in the elongated axial positions with a strong misdirected valence. The crystal is stabilized by pyrimidine ring stacking and by intermolecular hydrogen bonding involving the NH2 moiety of the ampym ligand and the carbonyl O atom of the acesulfamate moiety. PMID:15876705

  13. Research progress on the release of monomers from Bis-GMA based resin composites%Bis-GMA基复合树脂单体释放的研究进展

    Institute of Scientific and Technical Information of China (English)

    郑慧霞; 刘丽

    2014-01-01

    Bis-GMA是复合树脂常用的基质之一.固化的复合树脂中可能释放出Bis-GMA,对机体组织造成影响.本文从Bis-GMA释放的检测方法、影响Bis-GMA释放的基本因素、口腔环境对Bis-GMA释放的影响及目前值得关注的问题等方面作一综述.

  14. A triclinic polymorph of poly[[bis[μ-1,2-bis(pyridin-4-ylethene-κ2N:N′]bis(thiocyanato-κNcobalt(II] 1,2-bis(pyridin-4-ylethene monosolvate

    Directory of Open Access Journals (Sweden)

    Susanne Wöhlert

    2012-06-01

    Full Text Available In the crystal structure of the title compound, [Co(NCS2(C12H10N22]·C12H10N2, the CoII cations are octahedrally coordinated by two terminally N-bonded thiocyanate anions and four 1,2-bis(pyridin-4-ylethene (bpe ligands. The asymmetric unit consists of three crystallographically independent CoII cations, six thiocyanate anions and six coordinating bpe ligands in general positions. Additionally, three non-coordinating bpe ligands are present in the asymmetric unit with two of them located on a center of inversion. The CoII cations are connected by the bpe ligands into layers parallel to the bc plane. The crystal investigated was non-merohedrically twinned, with a fractional contribution of 0.261 (2 for the minor domain.

  15. Conductivity of oriented bis-azo polymer films

    DEFF Research Database (Denmark)

    Apitz, D.; Bertram, R.P.; Benter, N.;

    2006-01-01

    The conductivity properties of electro-optic photoaddressable, dense bis-ozo chromophore polymer films are investigated by using samples corona poled at various temperatures. A dielectric spectrometer is applied to measure the frequency dependence of the conductivity at different temperatures...... before and after heating the material to above the glass transition temperature. The results show that the orientation of the chromophores changes the charge-carrier mobility. Ionic conductivity dominates in a more disordered configuration of the material, while the competing process of hole hopping...... takes over as a transition to a liquid-crystalline phase occurs when the material is heated to much higher than the gloss transition temperature. Such micro-crystallization strongly enhances the conductivity....

  16. Synthesis and Structure of Bis(4-nitrobenzaldehyde thiosemicarbazone) Cadmium Iodide

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The title complex, bis(4-nitrobenzaldehyde thiosemicarbazone) cadmium iodide (C16H16CdI2N8O4S2) crystallizes in the triclinic system, space group P1 with a=9.632(2), b=11.227(2), c=14.031(3), α= 67.50(3), β= 86.99(3), γ= 66.64(3)°, V=1278.13, Z = 2, Dc = 2.117gcm-3, F(000) = 772, μ =3.472mm-1 MoKα radiation (λ=0.71073), R = 0.0443, wR= 0.1425 for 4529 observed reflections [I>2σ(I)] of 4731 independent reflections. The result shows that the structure contains CdL2I2 (where L = 4-nitrobenzaldehyde thiosemicarbazone) distorted tetrahedral units in which the two ligands are S-bonded as monodentate to cadmium ion; the two iodide ions are also coordinated to Cd(II).

  17. Macrocyclic bis(ureas as ligands for anion complexation

    Directory of Open Access Journals (Sweden)

    Claudia Kretschmer

    2014-08-01

    Full Text Available Two macrocyclic bis(ureas 1 and 2, both based on diphenylurea, have been synthesized. Compound 1 represents the smaller ring with two ethynylene groups as linkers and 2 the larger ring with two butadiynylene groups. On thermal treatment to 130 °C molecule 1 splits up into two dihydroindoloquinolinone (3 molecules. Both compounds 1 and 2 form adducts with polar molecules such as dimethyl sulfoxide (DMSO and dimethylformamide (DMF and act as complexing agents towards a series of anions (Cl−, Br−, I−, NO3−, HSO4−. The crystal structures of 3, 2·2DMSO, 2·2DMF, and of the complex NEt4[Br·2] have been determined. Quantitative investigations of the complexation equilibria were performed via 1H NMR titrations. While 1 is a rather weak complexing agent, the large ring of 2 binds anions with association constants up to log K = 7.93 for chloride ions.

  18. 4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium picrate.

    Science.gov (United States)

    Betz, Richard; Gerber, Thomas; Hosten, Eric; Dayananda, Alaloor S; Yathirajan, Hemmige S; Narayana, Badiadka

    2011-10-01

    The title compound {systematic name: 4-[bis(4-fluorophenyl)methyl]piperazin-1-ium 2,4,6-tri-nitro-phenolate}, C(17)H(19)F(2)N(2) (+)·C(6)H(2)N(3)O(7) (-), is the picrate salt of a piperazine-supported amine bearing a benzhydryl substituent on one of its N atoms. During co-crystallisation, protonation took place on the N atom of the secondary amine functionality. The non-aromatic six-membered heterocycle adopts a chair conformation. In the crystal, N-H⋯O hydrogen bonds as well as C-H⋯O contacts connect the components into a three-dimensional network. PMID:22064439

  19. 4-[Bis(4-fluorophenylmethyl]piperazin-1-ium picrate

    Directory of Open Access Journals (Sweden)

    Hemmige S. Yathirajan

    2011-10-01

    Full Text Available The title compound {systematic name: 4-[bis(4-fluorophenylmethyl]piperazin-1-ium 2,4,6-trinitrophenolate}, C17H19F2N2+·C6H2N3O7−, is the picrate salt of a piperazine-supported amine bearing a benzhydryl substituent on one of its N atoms. During co-crystallisation, protonation took place on the N atom of the secondary amine functionality. The non-aromatic six-membered heterocycle adopts a chair conformation. In the crystal, N—H...O hydrogen bonds as well as C—H...O contacts connect the components into a three-dimensional network.

  20. Bis-sesquiterpene from the Marine Sponge Dysidea fragilis.

    Science.gov (United States)

    Kiem, Phan Van; Nhiem, Nguyen Xuan; Tai, Bui Huu; Anh, Hoang Le Tuan; Hang, Dan Thi Thuy; Cuc, Nguyen Thi; Huyen, Le Thi; Nam, Nguyen Hoai; Yen, Pham Hai; Thung, Do Cong; Minh, Chau Van

    2016-04-01

    Two new sesquiterpenes and one new bis-sesquiterpene, named dysinidins C-E (1-3) along with three known sterols, dysideasterol F, 9α,l lα-epoxycholest-7-en-3β,5α,6α-triol, and 9α,11α-epoxycholest-7-en-3β,5α,6α,19-tetrol 6-acetate (4-6) were isolated from the Vietnamese marine sponge Dysidea fragilis (Montagu, 1814). Their structures were determined by 1D- and 2D-NMR spectroscopies and HR-ESI-MS, as well as by comparison with reported literature data. Compounds 4-6 were found to inhibit eight human cancer cell lines (KB, LU-1, HL-60, LNCaP, SK-Mel-2, HepG-2, MCF-7, and PC-3), with IC50 values ranging from 7.3 to 31.5 µM. PMID:27396186

  1. Polymerization of Acrylonitrile with(Diisopropylamido)Bis(indenyl) Lanthanides

    Institute of Scientific and Technical Information of China (English)

    李刚; 张学全; 应来强; 巴小微; 崔冬梅; 唐涛; 金鹰泰

    2002-01-01

    The polymerization of acrylonitrile was studied using (diisopropylamido)bis(indenyl) lanthanides, Ind2LnN(i-Pr)2(Ln=Y, Yb) as a single-component catalyst. The effects of the amount of catalyst, monomer concentration and polymerization temperature on catalytic activity and molecular weight of polyacrylonitrile(PAN) were studied. The results show that the catalytic activity is raised obviously with rising polymerization temperature. The monomer conversion reaches 64% under polymerization temperature, monomer concentration and catalyst concentration are 50 ℃, 5.1 mol*L-1 and 0.3%(molar ratio) sequentially. The conversion and molecular weight of the polymer increase appreciably with adding additive, PhONa. When the molar ratio of PhONa to the catalyst is three, the conversion and the molecular weight is 76% and 1.32×104, respectively. The initiation mechanism for the polymerization of acrylonitrile was proposed.

  2. SYNTHESIS, CHARACTERIZATION AND CRYSTAL STRUCTURE OF BIS-(2-HYDROXYBENZALDEHYDEDIAMINOGUANIZONE

    Directory of Open Access Journals (Sweden)

    Diana Dragancea, Vladimir B. Arion, Sergiu Shova

    2008-12-01

    Full Text Available The new ligand, bis(2-hydroxybenzaldehydediaminoguanizone (1 has been synthesized and characterized by elemental analysis, IR and 1H NMR spectroscopies. The crystal structure of the compound was determined by X-ray diffraction. The ligand C15H15N5O2·C2H5OH crystallizes in the monoclinic space group P21/c with unit cell parameters a = 8.9102(3, b = 10.0357(3, c = 19.7618(6 Å, β = 98.385(2°, Z = 4, V = 1748.21(9 Å3, R1 = 0.040. The amino form of the ligand adopts a planar conformation stabilized by two intramolecular hydrogen bonds of the type O–H···N, in which the H atoms of the central amino group are directed to the lone-pair regions of the azomethine nitrogen atoms.

  3. Synthesis of Bis(hydroxylmethylfurfuryl)amine Monomers from 5-Hydroxymethylfurfural.

    Science.gov (United States)

    Xu, Zhanwei; Yan, Peifang; Liu, Kairui; Wan, Lu; Xu, Wenjuan; Li, Huixiang; Liu, Xiumei; Zhang, Z Conrad

    2016-06-01

    We report the synthesis of bis(hydroxylmethylfurfuryl)amine (BHMFA) from 5-hydroxymethylfurfural (5-HMF) by reacting 5-HMF with primary amines in the presence of homogeneous Ru(II) catalysts having sterically strained ligands. BHMFA is a group of furan-based monomers that offer great potential to form functional biopolymers with tunable properties. A range of primary amines, such as aliphatic and benzyl amines, are readily converted with 5-HMF to form the corresponding BHMFA in good yields. The reaction proceeds through reductive amination of 5-HMF with primary amine to form secondary amine, followed by reductive amination of 5-HMF with in situ generated secondary amine to produce BHMFA. PMID:27151257

  4. Relation between constructs of BisBas questionnaire and some personality constructs

    Directory of Open Access Journals (Sweden)

    Nataša Sedlar

    2008-04-01

    Full Text Available The goal of this study was to examine relation between constructs relevant for Gray's neuropsychological model of motivation. According to Gray's theory, two general motivational systems underlie behavior and affect: a behavioral inhibition system (BIS and a behavioral activation system (BAS. BIS is sensitive to aversive stimuli, causes avoidance behaviors and is responsible for individual differences in anxiety. BAS is responsive to appetitive stimuli, triggers approach behavior and has been associated with individual differences in impulsivness. BIS activity has been related to the experience of negative emotions, whereas BAS activity has been associated with the experience of positive emotions. A total of 122 Slovenian students, aged 17–19 years, completed the BIS/BAS scale, the Impulsiveness-Venturesome-Empathy Scale IVE, State Trait Anxiety Inventory STAI-X2, The Positive and Negative Affect Schedule PANAS, and The Big Five Questionairre BFQ. Our results are consistent with those from recent empirical studies and provide support for Gray's theory. Measures of BIS were found to be positively related to trait anxiety and neuroticism, whereas measures of BAS were found to be positively related to impulsiveness and extraversion. Emotional component measured with PANAS did not distinguish BIS from BAS constructs. Both were found to be related to negative affect. With respect to construct validity these findings suggest that BIS/BAS scale is reasonably effective.

  5. Validity and Reliability of the Abbreviated Barratt Impulsiveness Scale in Spanish (BIS-15S)*

    Science.gov (United States)

    Orozco-Cabal, Luis; Rodríguez, Maritza; Herin, David V.; Gempeler, Juanita; Uribe, Miguel

    2010-01-01

    Objective This study determined the validity and reliability of a new, abbreviated version of the Spanish Barratt Impulsiveness Scale (BIS-15S) in Colombian subjects. Method The BIS-15S was tested in non-clinical (n=283) and clinical (n=164) native Spanish-speakers. Intra-scale reliability was calculated using Cronbach’s α, and test-retest reliability was measured with Pearson correlations. Psychometric properties were determined using standard statistics. A factor analysis was performed to determine BIS-15S factor structure. Results 447 subjects participated in the study. Clinical subjects were older and more educated compared to non-clinical subjects. Impulsivity scores were normally distributed in each group. BIS-15S total, motor, non-planning and attention scores were significantly lower in non-clinical vs. clinical subjects. Subjects with substance-related disorders had the highest BIS-15S total scores, followed by subjects with bipolar disorders and bulimia nervosa/binge eating. Internal consistency was 0.793 and test-retest reliability was 0.80. Factor analysis confirmed a three-factor structure (attention, motor, non-planning) accounting for 47.87% of the total variance in BIS-15S total scores. Conclusions The BIS-15S is a valid and reliable self-report measure of impulsivity in this population. Further research is needed to determine additional components of impulsivity not investigated by this measure. PMID:21152412

  6. Synthesis of lyso(bis)phosphatidic acid in rabbit alveolar macrophages

    International Nuclear Information System (INIS)

    Reported here are studies on the biosynthetic pathway used by normal and BCG elicited alveolar macrophages for the synthesis of lyso(bis)phosphatidic acid [L(bis)PA]. Earlier observations by this laboratory have shown that although L(bis)PA is abundant in these cells, there is little de novo synthesis of this lipid. Diaceyl phosphatidylglycerol [PG] labeled with either [1,2,3-3H] glycerol or 32P demonstrated that PG is used as an exogenous substrate for L(bis)PA formation; both glycerol moieties are incorporated. Other phospholipids do not have this capacity. BCG-elicited macrophages are capable of only one-quarter the synthesis of L(bis)PA seen with normal cells, and also show a decreased amount of cell associated substrate. In addition, [3H] 1-0-alkyl PG was used as a substrate to test the importance of the sn-1 acyl linkage in the synthetic pathway. This substrate produced less L(bis)PA while dramatically increasing the amounts of labelled phosphatidylethanolamine and phosphatidylcholine within the cell. The alkyl substrate also showed increased uptake by the cell. They conclude that the hydrolysis of the acyl group at the sn-1 position of PG is essential in the synthetic pathway leading to the production of L(bis)PA. They further suggest that the PG used by these cells as an exogenous substrate in vitro is obtained from the PG-rich surfactant surrounding the alveolar macrophage

  7. Neuroprotective copper bis(thiosemicarbazonato complexes promote neurite elongation.

    Directory of Open Access Journals (Sweden)

    Laura Bica

    Full Text Available Abnormal biometal homeostasis is a central feature of many neurodegenerative disorders including Alzheimer's disease (AD, Parkinson's disease (PD, and motor neuron disease. Recent studies have shown that metal complexing compounds behaving as ionophores such as clioquinol and PBT2 have robust therapeutic activity in animal models of neurodegenerative disease; however, the mechanism of neuroprotective action remains unclear. These neuroprotective or neurogenerative processes may be related to the delivery or redistribution of biometals, such as copper and zinc, by metal ionophores. To investigate this further, we examined the effect of the bis(thiosemicarbazonato-copper complex, Cu(II(gtsm on neuritogenesis and neurite elongation (neurogenerative outcomes in PC12 neuronal-related cultures. We found that Cu(II(gtsm induced robust neurite elongation in PC12 cells when delivered at concentrations of 25 or 50 nM overnight. Analogous effects were observed with an alternative copper bis(thiosemicarbazonato complex, Cu(II(atsm, but at a higher concentration. Induction of neurite elongation by Cu(II(gtsm was restricted to neurites within the length range of 75-99 µm with a 2.3-fold increase in numbers of neurites in this length range with 50 nM Cu(II(gtsm treatment. The mechanism of neurogenerative action was investigated and revealed that Cu(II(gtsm inhibited cellular phosphatase activity. Treatment of cultures with 5 nM FK506 (calcineurin phosphatase inhibitor resulted in analogous elongation of neurites compared to 50 nM Cu(II(gtsm, suggesting a potential link between Cu(II(gtsm-mediated phosphatase inhibition and neurogenerative outcomes.

  8. μ3-Oxido-tris{dichlorido[1,3-bis(1,3,5-trimethylphenylimidazol-2-ylidene]gold(III} bis(trifluoromethanesulfonylimide–[bis(trifluoromethanesulfonylimide]silver(I (1/2

    Directory of Open Access Journals (Sweden)

    Marek Pažický

    2010-07-01

    Full Text Available The unusual trinuclear AuIII oxide title complex, [Au3Cl6O(C21H24N23](C2F6NO4S2·2[Ag(C2F6NO4S2], is the side product of the reaction of [1,3-bis(1,3,5-trimethylphenylimidazol-2-ylidene]dichloridophenylgold(III with silver bis(trifluoromethanesulfonylimide in the presence of traces of water. In contrast to corresponding AuI complexes, the core structure of the title compound is planar. Two silver(I bis(trifluoromethanesulfonylimide units are loosely bound to the complex cation. Here the silver atoms, disordered over two positions in a 0.870 (2:0.130 (2 ratio, interact either with the lone pairs of three chlorine ligands or two chlorine ligands and one edge of the mesityl π-system. The crystal under investigation was a partial racemic twin.

  9. Bis(indolyl)methanes synthesis through sodium iodate and sodium hydrogen sulfite in water

    International Nuclear Information System (INIS)

    An effective and eco-friendly method for the bis(indolyl)methanes synthesis has been developed. A successive methodology involving sodium iodate/sodium hydrogen sulfite catalyzed reaction of indole with many aldehydes gave the resultant bis-indol in good yield. This method offers synthetically inexpensive alternate to the previously developed procedures for the bis-indol synthesis. The use of a low-cost and straightforwardly accessible catalyst, improved yields and a simple reaction process are the salient features of the current method. (author)

  10. [1,1′-Bis(diphenylphosphinocobaltocenium-κ2P,P′]dichloridoplatinum(II hexafluoridophosphate

    Directory of Open Access Journals (Sweden)

    Zhi-Qun Dai

    2009-08-01

    Full Text Available The title bimetallic compound, [PtCl2{Co(C17H14P2}]PF6, was obtained by reaction of 1,1′-bis(diphenylphosphinocobaltocenium hexafluoridophosphate with bis(acetonitriledichloridoplatinum. The PtII ion is four-coordinated in a slightly distorted square-planar environment by two P atoms of the 1,1′-bis(diphenylphosphinocobaltocenium moiety and two Cl atoms. In the crystal structure, molecules are linked by weak C—H...F and C—H...Cl hydrogen bonds.

  11. Effect of three bis-pyridyl-bis-amide ligands with various spacers on the structural diversity of new multifunctional cobalt(II) coordination polymers

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Hong-Yan [Department of Chemistry, Bohai University, Jinzhou 121000 (China); Lu, Huizhe [Department of Applied Chemistry, China Agricultural University, Beijing, 100193 (China); Le, Mao; Luan, Jian [Department of Chemistry, Bohai University, Jinzhou 121000 (China); Wang, Xiu-Li, E-mail: wangxiuli@bhu.edu.cn [Department of Chemistry, Bohai University, Jinzhou 121000 (China); Liu, Guocheng; Zhang, Juwen [Department of Chemistry, Bohai University, Jinzhou 121000 (China)

    2015-03-15

    Three new cobalt(II) coordination polymers [Co{sub 2}(1,4-NDC){sub 2}(3-bpye)(H{sub 2}O)] (1), [Co(1,4-NDC)(3-bpfp)(H{sub 2}O)] (2) and [Co(1,4-NDC)(3-bpcb)] (3) [3-bpye=N,N′-bis(3-pyridinecarboxamide)-1,2-ethane, 3-bpfp=bis(3-pyridylformyl)piperazine, 3-bpcb=N,N′-bis(3-pyridinecarboxamide)-1,4-benzene, and 1,4-H{sub 2}NDC=1,4-naphthalenedicarboxylic acid] have been hydrothermally synthesized. The structures of complexes 1–3 have been determined by X-ray single crystal diffraction analyses and further characterized by infrared spectroscopy (IR), powder X-ray diffraction (PXRD) and thermogravimetric analyses (TGA). Complex 1 is a 3D coordination structure with 8-connected (4{sup 20}.6{sup 8}) topology constructed from 3D [Co{sub 2}(1,4-NDC){sub 2}(H{sub 2}O)]{sub n} framework and bidentate 3-bpye ligands. Complex 2 shows 1D “cage+cage”-like chain formed by 1D [Co{sub 2}(1,4-NDC){sub 2}]{sub n} ribbon chains and [Co{sub 2}(3-bpfp){sub 2}] loops, which are further linked by hydrogen bonding interactions to form a 3D supramolecular network. Complex 3 displays a 3D coordination network with a 6-connected (4{sup 12}.6{sup 3}) topology based on 2D [Co{sub 2}(1,4-NDC){sub 2}]{sub n} layers and bidentate 3-bpcb bridging ligands. The influences of different bis-pyridyl-bis-amide ligands with various spacers on the structures of title complexes are studied. Moreover, the fluorescent properties, electrochemical behaviors and magnetic properties of complexes 1–3 have been investigated. - Graphical abstract: Three multifunctional cobalt(II) complexes constructed from three bis-pyridyl-bis-amide and 1,4-naphthalenedicarboxylic acid have been hydrothermally synthesized and characterized. The fluorescent, electrochemical and magnetic properties of 1–3 have been investigated. - Highlights: • Three multifunctional cobalt(II) complexes based on various bis-pyridyl-bis-amide ligands. • Complex 1 is a 3D coordination structure with 8-connected (4{sup 20}.6{sup 8

  12. catena-Poly[[[aquacopper(II]bis[μ-bis(3,5-dimethyl-1H-pyrazol-4-yl selenide

    Directory of Open Access Journals (Sweden)

    Maksym Seredyuk

    2010-05-01

    Full Text Available The title compound, {[Cu(C10H14N4Se2(H2O](BF42·2C18H15PO·H2O}n, has a polymeric structure where each CuII ion adopts a square-pyramidal coordination constituted by four N atoms of pyrazole moieties in the equatorial plane and an axial O atom of a water molecule. A pair of bis(3,5-dimethyl-1H-pyrazol-4-yl selenide ligands bridges the CuII centres into a chain extending along the c axis. The water molecules, anions and triphenylphosphine oxide molecules are involved in intermolecular hydrogen bonding, which links the chains into a three-dimensional network.

  13. Di-μ-thiocyanato-bis{[1,2-bis(diisopropylphosphanyl-1,2-dicarba-closo-dodecaborane]silver(I}

    Directory of Open Access Journals (Sweden)

    Dacheng Li

    2011-01-01

    Full Text Available The title compound, [Ag2(NCS2(C14H38B10P22], was synthesized by the reaction of 1,2-bis(diisopropylphosphanyl-1,2-dicarba-closo-dodecaborane with AgSCN. The diisopropylphosphanyl-closo-carborane ligand is coordinated in a bidentate manner to the AgI atom through the two P atoms. The coordination of the AgI atom is distorted tetrahedral, in which two vertices are formed by the P atoms of the chelating diphosphine ligand, and the other two are occupied by the S and N atoms of the two bridging thiocyanate anions, leading to a centrosymmetric binuclear complex. The distance between the two C atoms in the carborane skeleton is 1.851 (6 Å.

  14. Tetraphenylarsonium cis-bis[1,2-bis(trifluoromethylethene-1,2-dithiolato]platinate(II

    Directory of Open Access Journals (Sweden)

    Stephanie Hosking

    2009-07-01

    Full Text Available In the title compound, (C24H20As[Pt(C4F6S22], the cation lies on a twofold rotation axis while the anion has crystallographic inversion symmetry. The PtII ion is in a slightly distorted square-planar coordination environment. The F atoms of both unique –CF3 groups are disordered over two sets of sites, the ratios of refined occupancies being 0.677 (15:0.323 (15 and 0.640 (16:0.360 (16. The crystal structure is the first to date of a monoanionic [Pt(tfd2]− species [tfd is 1,2-bis(trifluoromethylethene-1,2-dithiolate] with a non-redox-active cation.

  15. Iodide Selective Electrodes Based on Bis(2-mercaptobenzothiazolato Mercury(II and Bis(4-chlorothiophenolato Mercury(II Carriers

    Directory of Open Access Journals (Sweden)

    Morteza M. Zohory

    2003-12-01

    Full Text Available New iodide-selective electrodes based on bis(2-mercaptobenzothiazolato mercury(II [Hg(MBT2] and bis(4-chlorothiophenolato mercury(II [Hg(CTP2] carriers are described. The electrodes were prepared by incorporating the ionophores into plasticized PVC membranes, which were directly coated on the surface of graphite disk electrodes. The electrodes displayed high selectivity for iodide with respect to a number of inorganic and organic anions. The influence of the membrane composition and pH, and the effect of lipophilic cationic and anionic additives on the response properties of the electrodes were investigated. The electrodes exhibited near-Nernstian slopes of -57.6 ± 0.8 and -58.4 ± 1.4 mV/decade of iodide concentration over the range 1 × 10-6 – 1 × 10-1 M, with detection limits of ~4 × 10-7 and 6 × 10-7 M for the electrodes based on [Hg(MBT2] and [Hg(CTP2], respectively. They have relatively fast response times (≤ 10 s, satisfactory reproducibility, and life times of at least two months. The potentiometric responses of the electrodes are independent of pH of the test solution over the range 3.5 – 11.5.

  16. Synthesis and Crystal Structure of the Ladder-like Organotin Complex: μ-pentaoxygen bridged penta(bis-benzyltin) bis-salicylate

    Institute of Scientific and Technical Information of China (English)

    WANG Jian-Qiu; CHEN Zhi-Min; ZENG Rong-Ying; KUANG Dai-Zhi; FENG Yong-Lan; ZHANG Fu-Xing

    2005-01-01

    A novel organotin complex of μ-pentaoxygen bridged penta(bis-benzyltin) bis- salicylate has been synthesized by the reaction of bis-benzyltin oxide and salicylic acid and its struc- ture has been determined by X-ray diffraction. The crystal belongs to monoclinic, space group P21/n with a = 1.7206(5), b = 2.1401(6), c = 2.1488(6) nm, β = 93.325(5)o, V = 7.899(4) nm3, Z = 4, Dc = 1.564 g/cm3, μ(MoKα) = 16.17 cm-1, Mr = 1859.94, F(000) = 3692, R1 = 0.0755 and wR2 = 0.1557. According to structural analysis, the coordination geometry of tin is a distorted trigonal bipyramid, and the ladder-like structure is shaped by four Sn2O2 planar four-membered rings.

  17. Chiral linker-bridged bis-N-heterocyclic carbenes: design, synthesis, palladium complexes, and catalytic properties.

    Science.gov (United States)

    Zhang, Dao; He, Yu; Tang, Junkai

    2016-08-01

    A series of chiral bis(benzimidazolium) salts 10-19 with (1R,2R)-cyclohexene, (1R,2R)-diphenylethylene and (aR)-binaphthylene linkers have been designed and synthesized in 30-94% yield. Ten chiral bis(NHC) palladium complexes 20-28 have been synthesized and characterized by NMR, HRMS, elemental analysis and further confirmed by X-ray single crystal analysis. These bis(NHC)-Pd complexes showed obviously different catalytic properties in the asymmetric Suzuki-Miyaura coupling reactions. The (1R,2R)-cyclohexene-bridged bis(NHC)-Pd complex, (R,R)-23, achieved the highest yield of 90%, while complex (aR)-28, with a binaphthylene linker, showed the best enantioselectivity of 60 ee%. The structural analysis of these complexes suggested that such difference of catalytic performance has a close relationship with their coordination surroundings around metal centres. PMID:27230553

  18. Interactive Effects of the BIS and the BAS on Trajectories of Alcohol Misuse after University Graduation.

    Science.gov (United States)

    Keough, Matthew T; O'Connor, Roisin M

    2015-01-01

    Reinforcement Sensitivity Theory predicts that those with a strong behavioral inhibition system (BIS) likely experience considerable anxiety and uncertainty during the transition out of university. Accordingly, they may continue to drink heavily to cope during this time (a period associated with normative reductions in heavy drinking), but only if they also have a strong behavioral approach system (BAS) to enhance the anxiolytic effects of drinking. The purpose of this study was to test this hypothesis. Participants completed online measures prior to and at 3-month intervals over the course of the year following graduation. As hypothesized, results showed that an elevated BIS predicted impeded maturing out, but only when the impulsivity facet of BAS was also elevated. In contrast, a strong BIS predicted rapid maturing out if BAS impulsivity was weak. Study findings advance our understanding of BIS-related alcohol misuse trajectories in young adulthood and provide direction for clinical interventions. PMID:26823652

  19. Direct observation of supported W bis-methylidene from supported W-methyl/methylidyne species

    KAUST Repository

    Callens, Emmanuel

    2014-01-01

    Extensive solid-state NMR analyses unambiguously determine the formation of silica supported W bis-methylidene methyl species by reaction of the corresponding methyl carbyne with trimethylphosphine or a cyclic olefin. © 2014 the Partner Organisations.

  20. [Karin Hallas. Das Tallinner Mietshaus. Vom Historismus bis zum Jugendstil] / Paul Kaegbein

    Index Scriptorium Estoniae

    Kaegbein, Paul

    2006-01-01

    Arvustus: Karin Hallas. Das Tallinner Mietshaus. Vom Historismus bis zum Jugendstil. In: Architektur und bildende Kunst im Baltikum um 1900. Frankfurt am Main, Berlin, Bern, Bruxelles, New York, Wien: Lang 1999. S. 173-192.

  1. [Stefan Hartmann. Revaler Handwerker im Spiegel fer Ratsprotokolle von 1722 bis 1755] / Paul Kaegbein

    Index Scriptorium Estoniae

    Kaegbein, Paul

    2007-01-01

    Arvustus: Stefan Hartmann. Revaler Handwerker im Spiegel fer Ratsprotokolle von 1722 bis 1755. In : Ostseeprovinzen, baltische Staaten und das Nationale. Münster : LIT, 2005. lk. 89-112. Kanuti gildi koondunud ametite organisatsioonist ja struktuurist

  2. Studies on trivalent lanthanide complexes of bis-vanillin p-phenylenediamine

    International Nuclear Information System (INIS)

    The coordination interaction of lanthanide(III) chlorides with bis-vanillin o-phenylenediamine was studied by Ansari and Ahmad (1977). It was thought fruitful to compare these with the complexes of trivalent lanthanide ions with bis-vanillin p-phenylenediamine. The newly synthesized complexes were subjected to elemental, thermogravimetric and differential thermal analyses and their melting points, magnetic susceptibilities, molar conductances determined and infrared and electronic spectra taken. (author)

  3. A convenient route for synthesis and antimicrobial evaluation of bis (diimino benzothiazolo pyrimido pyrimidines

    Directory of Open Access Journals (Sweden)

    Balasaheb D. Kalyankar

    2014-12-01

    Full Text Available Guanidine hydrochloride (1 on treatment with bis(methylthiomethylene malonitrile (2 in N,N-dimethyl formamide (DMF and catalytic amount of anhydrous potassium carbonate gives diimino pyrimido pyrimidine (3. The later were further reacted with various substituted 2-amino benzothiazoles (4 to gives bis (diimino benzothiazolo pyrimido pyrimidines (5a-g. All these synthesized compounds were screened for their antimicrobial activity.

  4. Synthesis and applications of novel bis(ammonium) chiral ionic liquids derived from isomannide

    DEFF Research Database (Denmark)

    Kumar, Vineet; Olsen, Carl Erik; Schäffer, Susan J.;

    2007-01-01

    Carbohydrate-based novel bis(ammonium) chiral ionic liquids have been synthesized by following a straightforward protocol using isomannide as the substrate. Their applications in chiral discrimination and optical resolution of racemates have been established.......Carbohydrate-based novel bis(ammonium) chiral ionic liquids have been synthesized by following a straightforward protocol using isomannide as the substrate. Their applications in chiral discrimination and optical resolution of racemates have been established....

  5. A cytotoxic study of eugenol and its ortho dimer (bis-eugenol)

    Energy Technology Data Exchange (ETDEWEB)

    Kashiwagi, Yasushi [Meikai Univ., Sakado, Saitama (Japan). School of Dentistry

    2000-07-01

    Eugenol is widely used not only as a dental material such as pulp capping material, provisional cement, root canal sealer, and impression paste, but also as a perfume ingredients. Eugenol has antioxidant, bactericidal, and sedative activities, inhibits and non-enzymatic peroxidation. It was previously reported that eugenol exhibited the cytotoxic activity toward pulp cells and gingial fibroblasts and also that the cytotoxic activity was predominantly performed by radicals derived from the oxidation of eugenol. This study was based on the hypothesis that the toxicity of eugenol may be greately reduced if the radicalization of eugenol was diminished by the dimerization of eugenol. Thus, bis-eugenol, the dimer of eugenol, was synthesized to characterize the effect of this eugenol-related compound. The cytotoxic activity of bis-eugenol against human gingival fibroblasts (HGF cell) or human submandibular gland cancer cells (HSG cell) was studied in the presence or absence of light irradiation (visible or ultraviolet light), and compared with that of eugenol. The cytotoxic activity of eugenol was significantly greater than that of bis-eugenol. The cytotoxic activity of irradiated eugenol, but not that of irradiated bis-eugenol, was significantly higher than that of the non-irradiated counterpart. Bis-eugenol at a relatively low concentration declined the phototoxic activity of irradiation on living cells. Also, the generation of reactive oxygen in HSG cells in the ab-sence or the presence of irradiated bis-eugenol or eugenol was evaluated by an ACAS laser cytometry, and the results indicated that eugenol, but not bis-eugenol, generated reactive oxygen in the cells. The DPPH-radical scavenging activity of bis-eugenol was larger than that of eugenol. Furthermore, eugenol had a positive apoptosis-inducing effect on HSG cells. The structure-activity relationships of eugenol-related compounds showed that the nature of the substituent at the ortho or para-position of eugenol

  6. openBIS ELN-LIMS: an open-source database for academic laboratories

    OpenAIRE

    Barillari, Caterina; Ottoz, Diana S. M.; Fuentes-Serna, Juan Mariano; Ramakrishnan, Chandrasekhar; Rinn, Bernd; Rudolf, Fabian

    2015-01-01

    Summary: The open-source platform openBIS (open Biology Information System) offers an Electronic Laboratory Notebook and a Laboratory Information Management System (ELN-LIMS) solution suitable for the academic life science laboratories. openBIS ELN-LIMS allows researchers to efficiently document their work, to describe materials and methods and to collect raw and analyzed data. The system comes with a user-friendly web interface where data can be added, edited, browsed and searched. Availabil...

  7. Growth and characterization of pure and Ferrous sulphate doped Bis thiourea zinc chloride

    OpenAIRE

    Mrs.M.Jaya Brabha; Sr.A.MotchaRakkini

    2015-01-01

    Non linear optical material has wide applications in the area of optical devices. That device mainly used to measure electromagnetic radiation. Single crystals of pure Bis thiourea Zinc chloride and Ferrous sulphate doped Bis thiourea Zinc chloride were grown by slow evaporation technique. The grown crystals have been subjected to powder X-ray diffraction to determine the crystalline size and unit cell parameter. The incorporation of ferrous sulphate in BTZC was confirmed by the E...

  8. Inclusion property and Diels-Alder reaction of bis (diphenyl-phosphine oxide) butadiyne

    Institute of Scientific and Technical Information of China (English)

    LI, Ming-Xia(李明霞); LI, Jin-Liang(李金亮); WANG, Yong-Mei(王永梅); MENG, Ji-Ben(孟继本)

    2000-01-01

    The host molecule, bis( diphenylphosphine oxide ) butadiyne (2), includes a variety of guests to form five complexes (2a-2e). In addition, the Diels-Alder reaction between 2 and anthracene gives 9, 9', 10, 10'-tetrahedron-9, 9', 10, 10'-bi-ethenoantracene- 11, 11'-bis ( diphenylphosphine oxide ) ( 3 )which is a potential di-π-methane reactant and can undergo photorearrangement.

  9. Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.

    Science.gov (United States)

    Kriegel, Benjamin M; Bergman, Robert G; Arnold, John

    2016-01-13

    We report a metathesis reaction in which a nitrene fragment from an isocyanide ligand is exchanged with a nitrene fragment of an imido ligand in a series of niobium bis(imido) complexes. One of these bis(imido) complexes also promotes nitrene transfer to catalytically generate asymmetric dialkylcarbodiimides from azides and isocyanides in a process involving the Nb(V)/Nb(III) redox couple. PMID:26698833

  10. Crystal structure of the new hybrid material bis-(1,4-diazo-niabi-cyclo-[2.2.2]octa-ne) di-μ-chlorido-bis-[tetra-chlorido-bis-muthate(III)] dihydrate.

    Science.gov (United States)

    Chouri, Marwen; Boughzala, Habib

    2015-11-01

    The title compound bis-(1,4-diazo-niabi-cyclo-[2.2.2]octa-ne) di-μ-chlorido-bis-[tetra-chlorido-bis-muthate(III)] dihydrate, (C6H14N2)2[Bi2Cl10]·2H2O, was ob-tain-ed by slow evaporation at room temperature of a hydro-chloric aqueous solution (pH = 1) containing bis-muth(III) nitrate and 1,4-di-aza-bicyclo-[2.2.2]octane (DABCO) in a 1:2 molar ratio. The structure displays a two-dimensional arrangement parallel to (100) of isolated [Bi2Cl10](4-) bi-octa-hedra (site symmetry -1) separated by layers of organic 1,4-diazo-niabi-cyclo-[2.2.2]octane dications [(DABCOH2)(2+)] and water mol-ecules. O-H⋯Cl, N-H⋯O and N-H⋯Cl hydrogen bonds lead to additional cohesion of the structure.

  11. [Bis(3-amino­prop­yl)amine-κ3 N,N′,N′′]bis­(thio­cyanato-κN)cobalt(II)

    OpenAIRE

    Boeckmann, Jan; Näther, Christian

    2011-01-01

    The asymmetric unit of the title compound, [Co(NCS)2(C6H17N3)], consists of one Co2+ cation, two thio­cyanate anions and one bis­(3-amino­prop­yl)amine ligand, all in general positions. The cobalt cation is coordinated by five N atoms of two terminal N-bonded thio­cyanate anions and one bis­(3-amino­prop­yl)amine ligand, defining a slightly distorted square-pyramidal coordination polyhedron. The mol­ecules are held together in the crystal by weak N—H⋯S inter­actions.

  12. [Bis(3-aminopropyl)amine-κ3N,N′,N′′]bis(thiocyanato-κN)cobalt(II)

    OpenAIRE

    Jan Boeckmann; Christian Näther

    2011-01-01

    The asymmetric unit of the title compound, [Co(NCS)2(C6H17N3)], consists of one Co2+ cation, two thiocyanate anions and one bis(3-aminopropyl)amine ligand, all in general positions. The cobalt cation is coordinated by five N atoms of two terminal N-bonded thiocyanate anions and one bis(3-aminopropyl)amine ligand, defining a slightly distorted square-pyramidal coordination polyhedron. The molecules are held together in the crystal by weak N—H...S interactions.

  13. Development of [103Pd]-labeled-bis(N4-methylthiosemicarbazone) complexes as possible therapeutic agents

    International Nuclear Information System (INIS)

    Due to interesting tumor seeking properties of bis-thiosemicarbazones, two radio palladium-bis-thiosemicarbazone complexes, i.e., [103Pd]-pyruvaldehyde-bis(N4-methylthiosemicarbazone) ([103Pd] PTSM) and [103Pd]-diacetyl-bis(N4-methylthiosemicarbazone) ([103Pd]ATSM) were prepared according to the analogy of radio copper homologs. Palladium-103 (t1/2 = 16.96 d) was produced via the 103Rh(p, n)103Pd nuclear reaction with proton energy 18 MeV. The final activity was eluted in form of Pd(NH3)2Cl2 in order to react with bis-thiosemicarbazones to yield [103Pd]-labeled compounds. Chemical purity of the product was confirmed to be below the accepted limits by polarography. [103Pd]-labeled bis-thiosemicarbazones were prepared with a radiochemical yield of more than 80% at room temperature after 60-90 min by vortexing a mixture of thiosemicarbazones and Pd activity in ethanol. The purification of the labeled compounds performed by reverse phase column chromatography using C18 plus Sep-Pak. Radiochemical purity of more than 99% specific activity of about 12500-13 000 Ci/mol was obtained. The stability of the complexes was checked in final product and presence of human serum at 37 C up to 48 h. The partition co-efficients of the final complexes were determined. The initial physico-chemical properties of the labeled compounds were compared to those of their copper homologues. (orig.)

  14. Normative data of the Barratt Impulsiveness Scale 11 (BIS-11 for Brazilian adults

    Directory of Open Access Journals (Sweden)

    Leandro F. Malloy-Diniz

    2015-09-01

    Full Text Available Objective:The Barratt Impulsiveness Scale (BIS-11 is a valid and reliable instrument, and one of the most often used tools to assess impulsivity. This study assesses the performance of a large sample of adults by using a version of BIS-11 adapted to Brazilian Portuguese.Methods:We assessed 3,053 adults from eight Brazilian states. Internal consistencies and performance data were presented for two correction criteria of BIS-11: original and the two-factor score.Results:The associations between age, sex, region, and education and the BIS-11 scores present very small effect sizes. Therefore, we provided a percentile rank parameter for the different BIS-11 subscores considering the whole sample. Given the internal consistency of the two correction systems, we found that only the two-factor system fulfills the psychometric criteria of Cronbach’s alpha (cutoff value of at least 0.6.Conclusion:Our results support the use of the Brazilian adaptation of BIS-11 in different regions of the country as a measure of impulsivity. Since high impulsiveness is a characteristic of several dysfunctional behaviors, the establishment of normative parameters is of utmost relevance and should be extended to other age ranges and populations in future studies.

  15. Quando o índice bispectral (BIS pode fornecer valores espúrios Cuando el índice bispectral (BIS puede suministrar valores falsos When the bispectral index (Bis can give false results

    Directory of Open Access Journals (Sweden)

    Leonardo Teixeira Domingues Duarte

    2009-02-01

    Full Text Available JUSTIFICATIVA E OBJETIVOS: O índice bispectral (BIS é um parâmetro multifatorial derivado do eletroencefalograma (EEG que permite a monitorização do componente hipnótico da anestesia. Foi obtido a partir de algoritmo derivado da análise de grande número de EEGs de voluntários e pacientes submetidos a sedações e anestesia geral com diferentes agentes anestésicos. Além de outros benefícios, o uso do BIS para monitorização da profundidade da anestesia reduz a ocorrência de despertar e memória intra-operatória. Esta revisão teve o objetivo de apresentar situações clínicas em que o BIS aponta valores espúrios, falsamente elevados ou reduzidos, em decorrência de condições do paciente ou ações de anestésicos não-previstos quando da elaboração do seu algoritmo. CONTEÚDO: Os valores do BIS podem sofrer alteração e influência em variadas situações clínicas em que há padrões anormais do EEG; efeito de diferentes anestésicos e outros fármacos não-incluídos na elaboração de seu algoritmo; interferência de equipamentos elétricos; bem como decorrentes de peculiaridades do monitor. CONCLUSÃO: Apesar de o algoritmo do BIS ter sofrido diversas alterações desde a sua primeira versão, essas situações que determinam variações espúrias dos valores do BIS devem ser reconhecidas pelo anestesiologista a fim de evitar complicações, sejam conseqüentes à sobredose anestésica, sejam por subdoses que poderão causar despertar e memória intra-operatória.JUSTIFICATIVA Y OBJETIVOS: El índice bispectral (BIS es un parámetro multifactorial derivado del electroencefalograma (EEG, que permite la monitorización del componente hipnótico de la anestesia. Fue obtenido a partir de algoritmo derivado del análisis de un gran número de EEG de voluntarios y pacientes sometidos a sedaciones y anestesia general con diferentes agentes anestésicos. Además de otros beneficios, el uso del BIS para la monitorización de la

  16. Contemporary carbon content of bis (2-ethylhexyl) phthalate in butter.

    Science.gov (United States)

    Tong, T; Ondov, J M; Buchholz, B A; VanDerveer, M C

    2016-01-01

    The fraction of naturally produced bis (2-ethylhexyl) phthalate (DEHP), a ubiquitous plasticizer known to contaminate packaged foods, was determined for each of five 1.10 kg samples of unsalted market butter by accelerator mass spectrometry (AMS). After extraction and concentration enrichment with liquid-liquid extraction, flash column chromatography, and preparative-scale high performance liquid chromatography, each sample provided ≈ 250 μg extracts of DEHP with carbon purity ranging from 92.5 ± 1.2% (n = 3, 1σ) to 97.1 ± 0.8% (n = 3, 1σ) as measured with gas chromatography mass spectrometry (GC-MS). After corrections for method blank DEHP, co-eluting compounds, and unidentified carbon, the mean fraction of naturally produced DEHP in butter was determined to be 0.16 ± 0.12 (n = 5, 1σ). To our knowledge, this is the first report of the contemporary fraction of DEHP isolated from market butter in the U.S.

  17. DTPA: Bis benzimidazole as multi model imaging agent

    International Nuclear Information System (INIS)

    Full text: The DTPA bis benzimidazole analogue has been tested for radiopharmaceutical efficacy. The radiolabelling was found more then 98% after 8 hrs and blood kinetics was fast. The compound was also tested for optical imaging agent. The Eu3+ ion has an absorption band in the visible spectrum (578-582 nm) whose wavelength is very sensitive to even small changes in the coordination environment. Although the intensity of this 7F0 → 5D0 transition is low, the bands are relatively narrow, which allows distinguishing different coordination states of the metal. For Eu3+ complexes which have two differently hydrated forms in aqueous solution, one observes two absorption bands belonging to the two species. High-resolution UV-visible spectra were recorded in aqueous solutions which show a temperature invariant absorption with two distinct, temperature-dependent absorption bands. The intensity ratio of these two bands changes with temperature: the band at shorter wavelengths is decreasing very slightly, while that at longer wavelengths is increasing with the temperature. The ratio of the integrals of the two bands is related to the equilibrium constant, and its temperature dependence yields the reaction enthalpy and entropy

  18. A Novel Bis(phosphido)pyridine [PNP] 2− Pincer Ligand and Its Potassium and Bis(dimethylamido)zirconium(IV) Complexes

    KAUST Repository

    Winston, Matthew S.

    2010-12-13

    A novel PNP bis(secondary phosphine)pyridine pincer ligand, 2,6-bis(2-(phenylphosphino)phenyl)pyridine, has been prepared in high yield, and the properties of the doubly deprotonated form as a ligand in K 4(PNP)2(THF)6 and (PNP)Zr(NMe2) 2 have been investigated. The neutral PNP ligand has been isolated as a mixture of noninterconverting diastereomers, due to the presence of two chirogenic phosphorus atoms of the secondary phopshines, but coordination of the dianionic form to potassium and zirconium allows for isolation of a single diastereomer in near-quantitative yield. The structure of a bis(dimethylamido) zirconium(IV) derivative of the bis(phosphido)pyridine ligand and DFT calculations suggest that the phosphides do not π-bond to early transition metals, likely due to geometric strain and possibly orbital size mismatch between phosphorus and zirconium. As a result, the soft phosphides are prone to formation of insoluble oligomers with substantial bridging of the phosphido lone pairs to other zirconium centers. © 2010 American Chemical Society.

  19. Preparation and Biodistribution Studies of a Radiogallium-Acetylacetonate Bis (Thiosemicarbazone) Complex in Tumor-Bearing Rodents

    OpenAIRE

    Jalilian, Amir Reza; Yousefnia, Hassan; SHAFAII, KAMALEDDIN; Novinrouz, Aytak; Rajamand, Amir Abbas

    2012-01-01

    Various radiometal complexes have been developed for tumor imaging, especially Ga-68 tracer. In the present study, the development of a radiogallium bis-thiosemicarbazone complex has been reported. [67Ga] acetylacetonate bis(thiosemicarbazone) complex ([67Ga] AATS) was prepared starting [67Ga]Gallium acetate and freshly prepared acetylacetonate bis (thiosemicarbazone) (AATS) in 30 min at 90°C. The partition co-efficient and the stability of the tracer were determined in final solution (25°C) ...

  20. Synthesis of novel bis(perfluorophenyl azides) coupling agents: Evaluation of their performance by crosslinking of poly(ethylene oxide)

    KAUST Repository

    Mehenni, Hakim

    2011-11-01

    Novel bis(perfluorophenyl azides) coupling agents, containing spacer arms from ethylene or ethylene glycol subunits, were successfully synthesized. Nitrenes photogenerated from these novel bis(PFPA) coupling agents were applied successfully to the cross-linking of poly(ethylene oxide) (PEO10,000) in either aqueous medium or at the solid state, thus, we demonstrated the potential of these bis(PFPA) molecules as promising coupling agents in surface engineering. © 2011 Elsevier Ltd. All rights reserved.

  1. Synthesis of a Novel Aromatic Diamino-bridged Bis(β-cyclodextrin) and its Inclusion Complexation with Dyes Molecules

    Institute of Scientific and Technical Information of China (English)

    Yah ZHAO; Xiao Qing LIU; Hong You ZHU; Zi Ming YANG; Rong HUANG

    2006-01-01

    A novel bridged bis(β-cyclodextrin), 4, 4'-diaminodiphenyl ether-briged-bis (6-aimino-6-deoxy-β-cyclodextrin) 3, has been synthesized and its inclusion complexation behavior with three linear guest dyes (AR, NR and MB ) has been investigated by means of fluorescence spectrometry. The result obtained demonstrated that the novel bridged bis(β-cyclodextrin)showed much higher affinities towards guest dyes than native β-cyclodextrin.

  2. RuCl3·3H2O Catalyzed Reactions: Facile Synthesis of Bis(indolylmethanes under Mild Conditions

    Directory of Open Access Journals (Sweden)

    Liang-Xian Liu

    2011-05-01

    Full Text Available RuCl3·3H2O was found to be an effective catalyst for reactions of indoles, 2-methylthiophene, and 2-methylfuran with aldehydes to afford the corresponding bis(indolylmethanes, bis(thienylmethanes, and bis(fur-2-ylmethanes in moderate to excellent yields. Experimental results indicated that mono(indolylmethanol is not the reaction intermediate under these reaction conditions.

  3. Crystal structure of bis[1,3-bis(2,6-diisopropylphenylimidazol-2-ylidene]silver(I chloride tetrahydrofuran monosolvate

    Directory of Open Access Journals (Sweden)

    Inge Sänger

    2015-05-01

    Full Text Available In the title salt, [Ag(C27H36N22]Cl·C4H8O, the AgI atom is coordinated by two 1,3-bis(2,6-dimethylphenylimidazol-2-ylidene ligands. The imidazole rings are inclined to one another by 46.69 (13° and the benzene rings in each ligand are almost normal to the imdazole ring to which they are attached, with dihedral angles varying from 82.39 (13 to 88.27 (12°. There are C—H...π interactions present in the cation, involving the two ligands, and the solvent molecule is linked to the cation via a C—H...O hydrogen bond. In the crystal, molecules are linked by trifurcated C—H...(Cl,Cl,Cl hydrogen bonds, forming slabs parallel to (101. One isopropyl group is disordered over two sets of sites with an occupancy ratio of 0.447 (17:0.553 (17 and the THF molecule is disordered over two positions with an occupancy ratio of 0.589 (6:0.411 (6.

  4. Effect of light-curing, pressure, oxygen inhibition, and heat on shear bond strength between bis-acryl provisional restoration and bis-acryl repair materials

    Science.gov (United States)

    Shim, Ji-Suk; Lee, Jeong-Yol; Choi, Yeon-Jo; Shin, Sang-Wan

    2015-01-01

    PURPOSE This study aimed to discover a way to increase the bond strength between bis-acryl resins, using a comparison of the shear bond strengths attained from bis-acryl resins treated with light curing, pressure, oxygen inhibition, and heat. MATERIALS AND METHODS Self-cured bis-acryl resin was used as both a base material and as a repair material. Seventy specimens were distributed into seven groups according to treatment methods: pressure - stored in a pressure cooker at 0.2 Mpa; oxygen inhibition- applied an oxygen inhibitor around the repaired material,; heat treatment - performed heat treatment in a dry oven at 60℃, 100℃, or 140℃. The shear bond strength was measured with a universal testing machine, and the shear bond strength (MPa) was calculated from the peak load of failure. A comparison of the bond strength between the repaired specimens was conducted using one-way ANOVA and Tukey multiple comparison tests (α=.05). RESULTS There were no statistically significant differences in the shear bond strength between the control group and the light curing, pressure, and oxygen inhibition groups. However, the heat treatment groups showed statistically higher bond strengths than the groups treated without heat, and the groups treated at a higher temperature resulted in higher bond strengths. Statistically significant differences were seen between groups after different degrees of heat treatment, except in groups heated at 100℃ and 140℃. CONCLUSION Strong bonding can be achieved between a bis-acryl base and bis-acryl repair material after heat treatment. PMID:25722837

  5. Interaction and Binding Modes of bis-Ruthenium(II Complex to Synthetic DNAs

    Directory of Open Access Journals (Sweden)

    Hasi Rani Barai

    2016-06-01

    Full Text Available [μ-(linkerL2(dipyrido[3,2-a:2′,3′-c]phenazine2(phenanthroline2Ru(II2]2+ with linker: 1,3-bis-(4-pyridyl-propane, L: PF6 (bis-Ru-bpp was synthesized and their binding properties to a various polynucleotides were investigated by spectroscopy, including normal absorption, circular dichroism(CD, linear dichroism(LD, and luminescence techniques in this study. On binding to polynucleotides, the bis-Ru-bpp complex with poly[d(A-T2], and poly[d(I-C2] exhibited a negative LDr signal whose intensity was as large as that in the DNA absorption region, followed by a complicated LDr signal in the metal-to-ligand charge transfer region. Also, the emission intensity and equilibrium constant of the bis-Ru-bpp complex with poly[d(A-T2], and poly[d(I-C2] were enhanced. It was reported that both of dppz ligand of the bis-Ru-bpp complex intercalated between DNA base-pairs when bound to native, mixed sequence DNA. Observed spectral properties resemble to those observed for poly[d(A-T2] and poly[d(I-C2], led us to be concluded that both dppz ligands intercalate between alternated AT and IC bases-pairs In contrast when bis-Ru-bpp complex was bound to poly[d(G-C2], the magnitude of the LDr in the dppz absorption region, as well as the emission intensity, was half in comparison to that of bound to poly[d(A-T2], and poly[d(I-C2]. Therefore the spectral properties of the bis-Ru-bpp-poly[d(G-C2] complex suggested deviation from bis-intercalation model in the poly[d(G-C2] case. These results can be explained by a model whereby one of the dppz ligands is intercalated while the other is exposed to solvent or may exist near to phosphate. Also it is indicative that the amine group of guanine in the minor groove provides the steric hindrance for incoming intercalation binder and it also takes an important role in a difference in binding of bis-Ru-bpp bound to poly[d(A-T2] and poly[d(I-C2].

  6. 双水杨醛缩邻苯二胺法测定饮用水中的Cr6+研究%Study on a Method for Detercting Chromium(Ⅵ) in Water with Double Wsing Salicylaldehyde Shrinkage O-phenylendiamine (BSOPD)

    Institute of Scientific and Technical Information of China (English)

    赵茹; 郭方飞; 王长晔; 杜磊

    2012-01-01

    Objective To study the method of detecting chromlum(VI) in water with double salicylaldehyde shrinkage o-phenylendiamine. Mothods The reaction was instantaneous and the absorption remains stable for 6 hours. Linear calibration graphs were obtained for 0. 02~4. 0 mg/L of Cr (VI). Results A large excess of over 50 cations, anions and complexing a-gents (e. G. EDTA, tartrate, oxalate, citrate, phosphate, thiocyanate etc. ) do not interfere in the determination. The method was successfully used for the determination of chromium in several synthetic mixtures containing chromium (VI) and divers' ions. The method had high precision and accuracy (s= +0. 0 for 0. 5 mg/L). Conclusion It's a new simple,sensitive,selective and inexpensive method for the determination of chromium in industrial,environmental,biological and soil samples.%目的 研究生活饮用水中双水杨醛缩邻苯二胺铬配合物紫外定量技术.方法 水杨醛和邻苯二胺溶于甲醇,在冷水浴中搅拌加入无水乙醇得橙红色晶体-双水杨醛缩邻苯二胺.通过测量强酸(5.0 mol/L H2S04)环境下双水杨醛缩邻苯二胺与六价金属铬(Cr6+)形成的配合物的紫外吸收光谱,对样品中的铬离子进行定量研究.结果 双水杨醛缩邻苯二胺铬配合物溶液在波长478 nm有最大吸收,且浓度与吸收值呈线性关系,化合物稳定,同时该方法其他元素对实验结果基本没有影响.结论 该方法可以用于饮用水中Cr6+的测定.

  7. Alexandre Lamfalussy and the origins of the BIS macro-prudential approach to financial stability

    Directory of Open Access Journals (Sweden)

    Ivo Maes

    2010-01-01

    Full Text Available Among the international policy institutions, the Bank for International Settlements (BIS is known for its sensitivity to financial stability issues. Typical for the BIS is a Òmacro-prudentialÓ approach. In this paper, it is argued that Alexandre Lamfalussy, who was at the BIS from 1976 to 1993, played a crucial role in shaping the BIS approach. Typical for Lamfalussy are a broad macroeconomic view and a focus on the systemically important institutions. In LamfalussyÕs view, there is thus very much an overlap between the micro- and macro-prudential dimensions of financial stability. The main reasons for his sensitivity to financial fragility were: a ÒKeynesianÓ Weltanschauung (that a market economy is not sufficiently self-correcting, the emphasis of Dupriez (his teacher on cycles, LamfalussyÕs experience as a commercial banker, BIS involvement in financial stability issues, especially the Latin American debt crisis of 1982-83 and research on financial innovations.

  8. Single-molecule kinetics and footprinting of DNA bis-intercalation: the paradigmatic case of Thiocoraline.

    Science.gov (United States)

    Camunas-Soler, Joan; Manosas, Maria; Frutos, Silvia; Tulla-Puche, Judit; Albericio, Fernando; Ritort, Felix

    2015-03-11

    DNA bis-intercalators are widely used in molecular biology with applications ranging from DNA imaging to anticancer pharmacology. Two fundamental aspects of these ligands are the lifetime of the bis-intercalated complexes and their sequence selectivity. Here, we perform single-molecule optical tweezers experiments with the peptide Thiocoraline showing, for the first time, that bis-intercalation is driven by a very slow off-rate that steeply decreases with applied force. This feature reveals the existence of a long-lived (minutes) mono-intercalated intermediate that contributes to the extremely long lifetime of the complex (hours). We further exploit this particularly slow kinetics to determine the thermodynamics of binding and persistence length of bis-intercalated DNA for a given fraction of bound ligand, a measurement inaccessible in previous studies of faster intercalating agents. We also develop a novel single-molecule footprinting technique based on DNA unzipping and determine the preferred binding sites of Thiocoraline with one base-pair resolution. This fast and radiolabelling-free footprinting technique provides direct access to the binding sites of small ligands to nucleic acids without the need of cleavage agents. Overall, our results provide new insights into the binding pathway of bis-intercalators and the reported selectivity might be of relevance for this and other anticancer drugs interfering with DNA replication and transcription in carcinogenic cell lines. PMID:25690887

  9. Development of dental resin luting agents based on Bis-EMA4: bond strength evaluation

    Directory of Open Access Journals (Sweden)

    2008-02-01

    Full Text Available The aim of this study was to investigate the influence of incorporating Bis-EMA4 monomer into experimental Bis-GMA/TEGDMA-based resin luting agents on the bond strength to dentin. Seven mixtures were prepared with the following ratios (wt% of Bis-GMA/TEGDMA/Bis-EMA4: 50/50/0, 50/30/20, 50/10/40, 50/0/50, 30/10/60, 10/10/80 and 0/0/100. Camphorquinone (0.4 wt%, N,N-dimethyl-p-toluidine (0.8 wt% and hydroquinone (0.2 wt% were dissolved in each mixture, which was loaded with silanated strontium glass fillers to a constant content of 60 wt%. Bond strength was evaluated by microshear testing (n = 10 on bovine dentin. Data were submitted to Analysis of Variance (p<0.05. Modes of failure were classified under magnification (200×. Bond strength means (MPa, respective to each agent, were: 19.4, 19.8, 20.0, 19.1, 16.8, 18.7 and 17.8. No significant differences were detected among groups. Mixed failures were generally predominant for all materials. In conclusion, the addition of Bis-EMA4 presented no significant influence on the bond strength of the experimental resin luting agents to dentin.

  10. Spray pyrolysis deposition of Cu3BiS3 thin films

    International Nuclear Information System (INIS)

    Wittichenite Cu3BiS3 semiconductor thin films were deposited on glass slides within a range in substrate temperature from 250 °C to 400 °C via spray pyrolysis approach. Effects of substrate temperature on crystal structure, surface morphology, and optical property of Cu3BiS3 films were investigated in details. Pictures from a scanning electron microscope revealed that the as-prepared films in polycrystalline nature were uniform and comprised of close-packed fine nanoparticles, which grew up greatly by increasing substrate temperature to 350 °C. The as-prepared Cu3BiS3 film exhibited a direct optical band gap between 1.65 eV and 1.72 eV. - Highlights: • Depositing wittichenite Cu3BiS3 thin films via spray pyrolysis • Polycrystalline Cu3BiS3 films were comprised of densely packed nanoparticles. • Direct optical band gaps of the films lie between 1.65 eV and 1.72 eV

  11. SYNTHESIS AND CHARACTERIZATION OF BIS-[2-[[(2-ALKOXYPHENYL)IMINO]METHYL]-PHENOLATO-O,N,O]NICKEL(II) COMPLEXES AND THEIR NORBORNENE POLYMERIZATION

    Institute of Scientific and Technical Information of China (English)

    Dong-heng Zhang; Su-yun Jie; Hai-jian Yang; Fei Chang; Wen-hua Sun

    2005-01-01

    A series of salicylaldimines, synthesized in high yield via microwave-assisted condensation of salicylaldehyde and 2-alkoxyaniline were allowed to react with nickel chloride to form six-coordinated nickel complexes. These nickel complexes were carefully characterized, and the solid structure of 1a was elucidated by X-Ray diffraction. Activated with MAO, the nickel conplexes showed good activity for homopolymerization of norbornene. Reaction parameters, such as the ratio of nickel precursor to MAO, monomer concentration, reaction time and the reaction temperature, as well as the nature of the ligands were found to have significant effects on the catalytic activity and some properties of the resulting polynorbornene.

  12. Acoplamiento molecular y actividad antibacteriana de las tioureas (R,R-N,N´-bis(1-ciclohexiletiltiourea y (R,R-N,N´-bis(1-feniletiltiourea

    Directory of Open Access Journals (Sweden)

    Fabían Martínez Flores

    2013-05-01

    Full Text Available Las tioureas, son compuestos resultantes de sustituir el átomo de oxígeno de la urea (NH2CONH2 por un átomo de azufre (NH2CSNH2. Actualmente se ha visto que las tioureas presentan diversas actividades biológicas, dentro de las que se encuentra la antimicrobiana. En el presente estudio se evaluó la actividad antibacteriana mediante acoplamiento molecular entre la enzima DNA girasa (receptor y las tioureas (R, R-N,N´-bis(1 ciclohexiletiltiourea (CYTU1 y (R,R-N,N´-bis(1-feniletiltiourea (CYTU2 como ligando en busca del posible mecanismo de acción de estos compuestos, los resultados muestran que existe interacción entre la enzima y ambas tioureas en el sitio activo. Por otro lado, también se evaluó la actividad antibacteriana frente a cepas de Sthapylococcus aureus, Escherichia coli y Pseudomonas fluorescens, mediante el método de microdilución en caldo con la adición de bromuro de 3-(4,5-dimetil-2-tiazolil-2,5-difeniltetrazolium (MTT, como parte del ensayo de viabilidad, mostrando una disminución de la misma sólo contra las bacterias gram negativas, siendo la tiourea CYTU2 la que mostró mejor actividad antibacteriana. Molecular docking and antibacterial activity thioureas (R,R-N,N´-bis(1-cyclohexyethylthiourea and (R,R-N,N´-bis(1-phenylethylthiourea Abstract Thioureas are resultant compounds of substitute the oxygen atom from urea (NH2CONH2 for a sulfur atom (NH2CSNH2. There are evidential that show the biological activity of thioureas, within which are antibacterial activity. We studied the antibacterial activity of two thioureas (R,R-N,N´-bis(1 cyclohexylethylthiourea (CYTU1 y (R,R-N,N´-bis(1 phenylethylthiourea (CYTU2 in silico using Molecular Docking between the DNA gyrase enzyme (receptor and the two thioureas (ligand. The results showed interaction between DNA girase and both thioureas on the pocket of the enzyme. By other hand, the biological activity was evaluated against the following bacterial strains: Sthapylococcus

  13. Bis-(1-2-benzopyran-1-one) derivatives: Synthesis and antimicrobial evaluation

    Indian Academy of Sciences (India)

    Poonam Kumar Koppula; Nalini Purohit

    2013-11-01

    The aim of the present study was to synthesize isocoumarin heterocycles and to elucidate the potential role of these compounds as biological active agents. A new series of isocoumarin derivatives containing two six-membered lactone rings is reported. 3-Aroyl-substituted isocoumarins (3) obtained by condensing 2-carboxy benzaldehyde (1) with bromoacetophenone derivatives (2) was further reacted with different aromatic aldehydes (4) affording bis-(1-2-benzopyran-1-one) derivatives (5). This short review compiles examples of most promising antibacterial, antifungal and analgesic bis-(1H-2-benzopyran-1-one) derivatives. The products were characterized on the basis of analytical and spectral (IR, 1HNMR, C13NMR, Mass) data. The biological activity study revealed that all compounds showed promising activities and bis-(1-2-benzopyran-1-one) derivatives (5) were found to be more active than 3-aroyl-substituted isocoumarins (3).

  14. Experimental and Numerical Characterization of CaPaMan 2bis Operation

    Directory of Open Access Journals (Sweden)

    E. E. Hernandez‐Martinez

    2010-04-01

    Full Text Available In this paper, the operation performance of CaPaMan 2bis (Cassino Parallel Manipulator 2 bis was investigated through labexperimental tests and computer simulations. Milli‐CaTraSys (Milli‐Cassino Tracking System was implemented to determinedisplacements and orientation variations of CaPaMan 2bis end‐effector during experimental tests. A 3D (three dimensionvirtual model was built in ADAMS environment to simulate the operation behavior for different prescribed motions. Severalprescribed motions have been simulated and tested under different conditions in order to characterize the system behavior. Inparticular, the kinematic characteristics were obtained from both, experimental tests and numerical simulations. Finally,experiment results and simulation computations were compared for purpose of performance evaluation and designcharacterization of the parallel manipulator structure and its prototype.

  15. Bis-NHC chelate complexes of nickel(0) and platinum(0).

    Science.gov (United States)

    Brendel, Matthias; Braun, Carolin; Rominger, Frank; Hofmann, Peter

    2014-08-11

    For a long time d(10)-ML2 fragments have been known for their potential to activate unreactive bonds by oxidative addition. In the development of more active species, two approaches have proven successful: the use of strong σ-donating ligands leading to electron-rich metal centers and the employment of chelating ligands resulting in a bent coordination geometry. Combining these two strategies, we synthesized bis-NHC chelate complexes of nickel(0) and platinum(0). Bis(1,5-cyclooctadiene)nickel(0) and -platinum(0) react with bisimidazolium salts, deprotonated in situ at room temperature, to yield tetrahedral or trigonal-planar bis-NHC chelate olefin complexes. The synthesis and characterization of these complexes as well as a first example of C-C bond activation with these systems are reported. Due to the enforced cis arrangement of two NHCs, these compounds should open interesting perspectives for bond-activation chemistry and catalysis.

  16. Faszinierende Physik ein bebilderter Streifzug vom Universum bis in die Welt der Elementarteilchen

    CERN Document Server

    Bahr, Benjamin; Riebe, Kristin

    2013-01-01

    Von den Rätseln der Quantenwelt bis zum Polarlicht - von Schwarzen Löchern bis zum GPS-System -von Teilchenbeschleunigern, dem Higgs und der Supersymmetrie bis zum Foucaultschen Pendel – dieses Buch bietet einen packenden Streifzug durch die spannendsten und aktuellsten Themen der modernen Physik! Auf jeweils einer Doppelseite wird dem Leser dabei mit vielen Bildern ein kompakter und klar verständlicher Einstieg in jeweils ein Thema und den Stand der Forschung geboten – und so insgesamt etwa 140 verschiedene Themen beleuchtet und jedes treffend erläutert. Dabei liegt die besondere Stärke des Buches in der klaren Sprache und den Erklärungen, die nahezu ganz ohne Formeln auskommen – begleitet von atemberaubenden und weltweit eingeholten Bildern renommierter Forscher und Institute, die uns die Schönheit unserer Welt vor Augen führen.

  17. Impulsivity components measured by the Brazilian version of the Barratt Impulsiveness Scale (BIS-11

    Directory of Open Access Journals (Sweden)

    Alina Gomide Vasconcelos

    2015-03-01

    Full Text Available The main purpose of this study was to investigate the psychometric properties of the Barratt Impulsiveness Scale (BIS-11. Content item analysis was conducted by seven doctoral students. A convenience sample of 897 students was submitted to BIS-11 and they also filled self-reports about Minor Mental Disorder and ADHD symptoms, alcohol use and cigarette smoking. Mean age was 27.32 (SD=8.69 years, 56% were female and 52% had incomplete college degree. Content and factorial analyses revealed that impulsivity was best represented by two latent factors labeled non-planning and inhibition behaviors. Test retest agreement tended to produce similar score patterns seven months after the first evaluation. Additionally, BIS-11 scores discriminated subjects in terms of cigarette smoking and psychopathological symptoms, which indicated evidences regarding criterion-related validity. The theoretical discussion was present based on the neuropsychological model of hot and cool aspects of executive function.

  18. Influence of body position, food and beverage consumption on BIS measurements

    Science.gov (United States)

    Medrano, G.; Eitner, F.; Ismail, A. H.; Pikkemaat, R.; Cordes, A.; Floege, J.; Leonhardt, S.

    2010-04-01

    Continuous monitoring of fluid changes using bioimpedance spectroscopy (BIS) during hemodialysis could help to predict hypotensive complications and extend the patient's life. Food and beverage consumption during the treatment may influence the measurements and the calculated fluid removal. In the present article the change observed in whole body and segmental (knee-to-knee, abdomen) BIS measurements following a sequence similar to the one of dialysis treatment (lying down, sitting and eating, lying down) on healthy subjects is presented. The measurements have been performed using a commercial bioimpedance device with a frequency range of 5 kHz to 1 MHz. Knee-to-knee measurements seem to be less sensitive to these influences, compared to the standard whole body and the alternative abdomen BIS measurements. The results indicate that the individual influence of both body posture and food and beverage consumption may be superposed when combined.

  19. Polyfluorinated bis-styrylbenzenes as amyloid-β plaque binding ligands.

    Science.gov (United States)

    Nabuurs, Rob J A; Kapoerchan, Varsha V; Metaxas, Athanasios; de Jongh, Sanne; de Backer, Maaike; Welling, Mick M; Jiskoot, Wim; Windhorst, Albert D; Overkleeft, Hermen S; van Buchem, Mark A; Overhand, Mark; van der Weerd, Louise

    2014-04-15

    Detection of cerebral β-amyloid (Aβ) by targeted contrast agents remains of great interest to aid the in vivo diagnosis of Alzheimer's disease (AD). Bis-styrylbenzenes have been previously reported as potential Aβ imaging agents. To further explore their potency as (19)F MRI contrast agents we synthetized several novel fluorinated bis-styrylbenzenes and studied their fluorescent properties and amyloid-β binding characteristics. The compounds showed a high affinity for Aβ plaques on murine and human brain sections. Interestingly, competitive binding experiments demonstrated that they bound to a different binding site than chrysamine G. Despite their high logP values, many bis-styrylbenzenes were able to enter the brain and label murine amyloid in vivo. Unfortunately initial post-mortem (19)F NMR studies showed that these compounds as yet do not warrant further MRI studies due to the reduction of the (19)F signal in the environment of the brain. PMID:24657049

  20. Bis-enoxacin blocks rat alveolar bone resorption from experimental periodontitis.

    Directory of Open Access Journals (Sweden)

    Mercedes F Rivera

    Full Text Available Periodontal diseases are multifactorial, caused by polymicrobial subgingival pathogens, including Porphyromonas gingivalis, Treponema denticola, and Tannerella forsythia. Chronic periodontal infection results in inflammation, destruction of connective tissues, periodontal ligament, and alveolar bone resorption, and ultimately tooth loss. Enoxacin and a bisphosphonate derivative of enoxacin (bis-enoxacin inhibit osteoclast formation and bone resorption and also contain antibiotic properties. Our study proposes that enoxacin and/or bis-enoxacin may be useful in reducing alveolar bone resorption and possibly bacterial colonization. Rats were infected with 10(9 cells of polymicrobial inoculum consisting of P. gingivalis, T. denticola, and T. forsythia, as an oral lavage every other week for twelve weeks. Daily subcutaneous injections of enoxacin (5 mg/kg/day, bis-enoxacin (5, 25 mg/kg/day, alendronate (1, 10 mg/kg/day, or doxycycline (5 mg/day were administered after 6 weeks of polymicrobial infection. Periodontal disease parameters, including bacterial colonization/infection, immune response, inflammation, alveolar bone resorption, and systemic spread, were assessed post-euthanasia. All three periodontal pathogens colonized the rat oral cavity during polymicrobial infection. Polymicrobial infection induced an increase in total alveolar bone resorption, intrabony defects, and gingival inflammation. Treatment with bis-enoxacin significantly decreased alveolar bone resorption more effectively than either alendronate or doxycycline. Histologic examination revealed that treatment with bis-enoxacin and enoxacin reduced gingival inflammation and decreased apical migration of junctional epithelium. These data support the hypothesis that bis-enoxacin and enoxacin may be useful for the treatment of periodontal disease.

  1. Synthesis of peptide thioacids at neutral pH using bis(2-sulfanylethyl)amido peptide precursors.

    Science.gov (United States)

    Pira, Silvain L; Boll, Emmanuelle; Melnyk, Oleg

    2013-10-18

    Reaction of bis(2-sulfanylethyl)amido (SEA) peptides with triisopropylsilylthiol in water at neutral pH yields peptide thiocarboxylates. An alkylthioester derived from β-alanine was used to trap the released bis(2-sulfanylethyl)amine and displace the equilibrium toward the peptide thiocarboxylate. PMID:24073852

  2. The formazanate ligand as an electron reservoir : Bis(formazanate) zinc complexes isolated in three redox states

    NARCIS (Netherlands)

    Chang, Mu Chieh; Dann, Thomas; Day, David P.; Lutz, Martin; Wildgoose, Gregory G.; Otten, Edwin

    2014-01-01

    The synthesis of bis(formazanate) zinc complexes is described. These complexes have well-behaved redox-chemistry, with the ligands functioning as a reversible electron reservoir. This allows the synthesis of bis(formazanate) zinc compounds in three redox states in which the formazanate ligands are r

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

    NARCIS (Netherlands)

    Chang, Mu-Chieh; Dann, Thomas; Day, David P.; Lutz, Martin; Wildgoose, Gregory G.; Otten, Edwin

    2014-01-01

    The synthesis of bis(formazanate) zinc complexes is described. These complexes have well-behaved redox-chemistry, with the ligands functioning as a reversible electron reservoir. This allows the synthesis of bis(formazanate) zinc compounds in three redox states in which the formazanate ligands are r

  4. 40 CFR 721.9750 - 2-Chloro-4,6-bis(substituted)-1,3,5-triazine, dihydrochloride.

    Science.gov (United States)

    2010-07-01

    ...-triazine, dihydrochloride. 721.9750 Section 721.9750 Protection of Environment ENVIRONMENTAL PROTECTION... New Uses for Specific Chemical Substances § 721.9750 2-Chloro-4,6-bis(substituted)-1,3,5-triazine... identified generically as 2-chloro-4,6-bis(substituted)-1,3,5-triazine, dihydrochloride (PMN P-91-659)...

  5. IMMUNOMODULATORY EFFECTS OF INTRAVENOUS BIS-1 F(AB')(2) ADMINISTRATION IN RENAL-CELL CANCER-PATIENTS

    NARCIS (Netherlands)

    JANSSEN, RAJ; KROESEN, BJ; MESANDER, G; SLEIJFER, DT; THE, TH; MULDER, NH; DELEIJ, L

    1995-01-01

    We report the immunomodulatory effects of an intravenous treatment with F(ab')(2) fragments of the bispecific monoclonal antibody BIS-1 during subcutaneous recombinant interleukin 2 (rIL-2) therapy of renal cell cancer (RCC) patients. BIS-1 is directed against both the CD3 antigen on T cells and the

  6. Acetate recognition by 2,6-bis(2-benzimidazolyl)pyridine

    Science.gov (United States)

    Chetia, Bolin; Iyer, Parameswar K.

    2011-10-01

    2,6-Bis(2-benzimidazolyl)pyridine, bbp, a simple tridentate ligand, is employed as a receptor for the recognition of anions. The binding of anionic guest species with bbp can be studied in short duration using UV/vis spectroscopy, fluorescence spectroscopy and 1H NMR techniques at very low concentrations. The results obtained from the above spectroscopic techniques indicate that 2,6-bis(2-benzimidazolyl)pyridine is an efficient anion receptor providing chemical shift and optical modification based signals for the detection of acetate ions.

  7. Clicked bis-PEG-peptide conjugates for studying calmodulin-Kv7.2 channel binding

    OpenAIRE

    Bonache de Marcos, María Ángeles; Alaimo, Alessandro; Malo, Covadonga; Millet, Oscar; Villarroel, Alvaro; González-Muñiz, Rosario

    2014-01-01

    The recombinant Kv7.2 calmodulin (CaM) binding site (Q2AB CaMBD) shows a high tendency to aggregate, thus complicating biochemical and structural studies. To facilitate these studies we have conceived bis-PEG-peptide CaMBD-mimetics linking helices A and B in single, easy to handle molecules. Short PEG chains were selected as spacers between the two peptide molecules, and a Cu(i)-catalyzed cycloaddition (CuAAC) protocol was used to assemble the final bis-PEG-peptide conjugate, by the convenien...

  8. A Double-Clicking Bis-Azide Fluorogenic Dye for Bioorthogonal Self-Labeling Peptide Tags.

    Science.gov (United States)

    Demeter, Orsolya; Fodor, Eszter A; Kállay, Mihály; Mező, Gábor; Németh, Krisztina; Szabó, Pál T; Kele, Péter

    2016-04-25

    Herein, we give the very first example for the development of a fluorogenic molecular probe that combines the two-point binding specificity of biarsenical-based dyes with the robustness of bioorthogonal click-chemistry. This proof-of-principle study reports on the synthesis and fluorogenic characterization of a new, double-quenched, bis-azide fluorogenic probe suitable for bioorthogonal two-point tagging of small peptide tags by double strain-promoted azide-alkyne cycloaddition. The presented probe exhibits remarkable increase in fluorescence intensity when reacted with bis-cyclooctynylated peptide sequences, which could also serve as possible self-labeling small peptide tag motifs. PMID:27010966

  9. Condensation-Driven Assembly of Boron-Containing Bis(Heteroaryl) Motifs Using a Linchpin Approach.

    Science.gov (United States)

    Adachi, Shinya; Liew, Sean K; Lee, C Frank; Lough, Alan; He, Zhi; St Denis, Jeffrey D; Poda, Gennady; Yudin, Andrei K

    2015-11-20

    Herein, we describe the bromomethyl acyl boronate linchpin--an enabling reagent for the condensation-driven assembly of novel bis(heteroaryl) motifs. This building block is readily accessible from commercially available starting materials. A variety of 2-amino- and 2-methylpyridines were reacted with MIDA-protected bromomethyl acylboronate to afford 2-boryl imidazo[1,2-a]pyridine and 2-boryl indolizine derivatives, respectively, in excellent yields. Subsequent condensation with hydroxyamidines and hydrazonamides converted the intermediate heterocycles into novel boron-containing bis(heteroaryl) units characterized by high thermal stability.

  10. Bis : premio UPC 2009 : novela corta de ciencia ficción

    OpenAIRE

    Sanhueza, Roberto; Barceló García, Miquel; Stephenson, Neal

    2010-01-01

    Descripció del recurs: 31 de gener de 2011 Director de la col·lecció: Miquel Barceló XVIII Premio UPC 2009 : novela corta de ciencia ficción Conté: part del diàleg amb Neal Stephenson, convidat al lliurament del premi BIS es la ganadora del Premio Internacional UPC de Ciencia Ficción de 2009. Convocatoria que cuenta ya con XIX ediciones, desde su creación en 1991, coincidiendo con el vigésimo aniversario de la Universitat Politècnica de Catalunya. 'BIS es un espectacular thril...

  11. Optical absorption and fluorescence studies on imidazolium ionic liquids comprising the bis(trifluoromethanesulphonyl)imide anion

    Indian Academy of Sciences (India)

    Aniruddha Paul; Anunay Samanta

    2006-07-01

    Optical absorption and fluorescence behaviour of two rigorously purified imidazolium ionic liquids, 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide and 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide are studied in the neat condition and in solution. Non-negligible absorption in the UV region with a long tail extending into the visible region is the main feature of the absorption. Excitation wavelength-dependent two-component fluorescence characterizes the emission behaviour of these liquids. That ion association gives rise to the long absorption tail and shifting fluorescence maximum, which appears to be common to most of the imidazolium ionic liquids, is evident from the effect of the conventional solvents.

  12. Is Cytox 3522 (10% methylene-bis-thiocyanate) a human skin sensitizer?

    DEFF Research Database (Denmark)

    Andersen, Klaus Ejner; Hamann, K

    1983-01-01

    Methylene-bis-thiocyanate is an antimicrobial agent in Cytox 3522 (American Cyanamid Corporation) and Nalco 206 (Nalco Chemical Company). Both are wide-spectrum industrial biocides. Cytox 3522 showed a strong sensitization potential in guineau pigs using the Guinea Pig Maximization Test and the O......Methylene-bis-thiocyanate is an antimicrobial agent in Cytox 3522 (American Cyanamid Corporation) and Nalco 206 (Nalco Chemical Company). Both are wide-spectrum industrial biocides. Cytox 3522 showed a strong sensitization potential in guineau pigs using the Guinea Pig Maximization Test...

  13. Fluorescent sensing and electrocatalytic properties of three Zn(II)/Co(II) coordination complexes containing two different dicarboxylates and two various bis(pyridyl)-bis(amide) ligands

    Science.gov (United States)

    Lin, Hongyan; Rong, Xing; Liu, Guocheng; Wang, Xiang; Wang, Xiuli; Duan, Surui

    2016-09-01

    Three new transition metal(II) coordination complexes constructed from two different dicarboxylates (1,3-H2BDC = 1,3-benzenedicarboxylic acid, 1,4-H2NDC = 1,4-naphthalenedicarboxylic acid) and two bis(pyridyl)-bis(amide) ligands (3-bpcd = N,N‧-bis(3-pyridyl)cyclohexane-1,4-dicarboxamide, 3-bpod = N,N‧-bis(3-pyridyl)octandiamide), [Zn(1,3-BDC)(3-bpcd)0.5(H2O)]·H2O (1), [Zn(1,3-BDC)(3-bpod)0.5(H2O)] (2) and [Co(1,4-NDC)(3-bpod)1.5(H2O)] (3) have been synthesized in the hydrothermal environments and structurally characterized by IR, TG and single crystal X-ray diffraction. Complexes 1 and 2 possess the similar 1D ladder-like chain based on [Zn(1,3-BDC)]n zigzag chain and the bidentate ligands 3-bpcd/or 3-bpod. Complex 3 shows a 2D layered structure with a 5-connected {410} topology, which consists of 1D linear [Co(1,4-NDC)]n chain and [Co(3-bpod)1.5]n chain with alternating arrangement of 3-bpod ligands and Co2(3-bpod)2 dinuclear loops. The adjacent 1D chains for 1-2 or the 2D layers for 3 are further extended into 2D or 3D supramolecular frameworks through the hydrogen bonding interactions. Additionally, the solid state fluorescent properties for the title complexes 1-3, the fluorescent sensing behaviors of complexes 1-2 and the electrochemical behaviour of complex 3 have been investigated.

  14. BOOK REVIEW: Meilensteine der Astronomie - Von Aristoteles bis Hawking

    Science.gov (United States)

    Duerbeck, H. W.; Hamel, J.

    2006-12-01

    A writer, more specific a writer on the history of astronomy, might from time to time look at the collected document folders with all the research material and reprints, and might wonder: has this been all? Especially at a time when recycling is in vogue? And, perhaps with a request or an invitation to submit something, he or she might consider re-using the material before its definitive disposal. Well, such are my feelings when I looked at Jurgen Hamel's new book Milestones of Astronomy - From Aristoteles to Hawking . A slight chance for survival of medium-sized publishers like Kosmos is to offer popular books, and a title must attract potential buyers: Aristoteles means the "old" times, and as concerns the "mad scientist" of modern times, Stephen Hawking has by now dethroned Einstein. In 1998, Hamel had published a Geschichte der Astronomie - Von den Anfangen bis zur Gegenwart (History of astronomy, from the beginnings to the present), which, of course, he could not simply copy. This time, he selected some stones from his research areas - milestones, touchstones, stumbling blocks in the long road of astronomical evolution - and put them between the covers of his new book. So let us look at these (mile)stones . The reader is informed about Aristoteles on 2 pages, but his medieval interpreter Johannes de Sacrobosco gets 8 pages! Copernicus' life and achievements are described on 9 pages, closely followed by his devotee and translator Rothmann with 8 pages; Copernicus' contemporary, Peter Apian, however, gets about 13! Bessel's and Herschel's lifes and works are described on well-deserved 13 and 15 pages, while the achievements of the two Lucasian professors, Isaac Newton and Stephen Hawking, are just outlined in a single paragraph! Thus, importance is sometimes inversely proportional to text length... But let us become serious now. Why should an active historian outline, for the hundreth time, the life of Copernicus, while there are so many interesting, and often

  15. Species Dependence of [64Cu]Cu-Bis(thiosemicarbazone) Radiopharmaceutical Binding to Serum Albumins

    Science.gov (United States)

    Basken, Nathan E.; Mathias, Carla J.; Lipka, Alexander E.; Green, Mark A.

    2008-01-01

    Introduction Interactions of three copper(II) bis(thiosemicarbazone) PET radiopharmaceuticals with human serum albumin, and the serum albumins of four additional mammalian species, were evaluated. Methods 64Cu-labeled diacetyl bis(N4-methylthiosemicarbazonato)copper(II) (Cu-ATSM), pyruvaldehyde bis(N4-methylthiosemicarbazonato)copper(II) (Cu-PTSM), and ethylglyoxal bis(thiosemicarbazonato)copper(II) (Cu-ETS) were synthesized and their binding to human, canine, rat, baboon, and porcine serum albumins quantified by ultrafiltration. Protein binding was also measured for each tracer in human, porcine, rat, and mouse serum. Results The interaction of these neutral, lipophilic copper chelates with serum albumin is highly compound- and species-dependent. Cu-PTSM and Cu-ATSM exhibit particularly high affinity for human serum albumin (HSA), while the albumin binding of Cu-ETS is relatively insensitive to species. At HSA concentrations of 40 mg/mL, “% Free” (non-albumin-bound) levels of radiopharmaceutical were 4.0 ± 0.1%; 5.3 ± 0.2%; and 38.6 ± 0.8% for Cu-PTSM; Cu-ATSM; and Cu-ETS, respectively. Conclusions Species-dependent variations in radiopharmaceutical binding to serum albumin may need to be considered when using animal models to predict the distribution and kinetics of these compounds in humans. PMID:18355683

  16. Species dependence of [64Cu]Cu-Bis(thiosemicarbazone) radiopharmaceutical binding to serum albumins

    International Nuclear Information System (INIS)

    Introduction: Interactions of three copper(II) bis(thiosemicarbazone) positron emission tomography radiopharmaceuticals with human serum albumin, and the serum albumins of four additional mammalian species, were evaluated. Methods: 64Cu-labeled diacetyl bis(N4-methylthiosemicarbazonato)copper(II) (Cu-ATSM), pyruvaldehyde bis(N4-methylthiosemicarbazonato)copper(II) (Cu-PTSM) and ethylglyoxal bis(thiosemicarbazonato)copper(II) (Cu-ETS) were synthesized and their binding to human, canine, rat, baboon and porcine serum albumins quantified by ultrafiltration. Protein binding was also measured for each tracer in human, porcine, rat and mouse serum. Results: The interaction of these neutral, lipophilic copper chelates with serum albumin is highly compound- and species-dependent. Cu-PTSM and Cu-ATSM exhibit particularly high affinity for human serum albumin (HSA), while the albumin binding of Cu-ETS is relatively insensitive to species. At HSA concentrations of 40 mg/ml, '% free' (non-albumin-bound) levels of radiopharmaceutical were 4.0±0.1%, 5.3±0.2% and 38.6±0.8% for Cu-PTSM, Cu-ATSM and Cu-ETS, respectively. Conclusions: Species-dependent variations in radiopharmaceutical binding to serum albumin may need to be considered when using animal models to predict the distribution and kinetics of these compounds in humans

  17. Species dependence of [{sup 64}Cu]Cu-Bis(thiosemicarbazone) radiopharmaceutical binding to serum albumins

    Energy Technology Data Exchange (ETDEWEB)

    Basken, Nathan E. [Division of Nuclear Pharmacy, Department of Industrial and Physical Pharmacy, Purdue University, West Lafayette, IN 47907 (United States)], E-mail: nbasken@purdue.edu; Mathias, Carla J. [Division of Nuclear Pharmacy, Department of Industrial and Physical Pharmacy, Purdue University, West Lafayette, IN 47907 (United States); Lipka, Alexander E. [Department of Statistics, Purdue University, West Lafayette, IN 47907 (United States); Green, Mark A. [Division of Nuclear Pharmacy, Department of Industrial and Physical Pharmacy, Purdue University, West Lafayette, IN 47907 (United States)], E-mail: magreen@purdue.edu

    2008-04-15

    Introduction: Interactions of three copper(II) bis(thiosemicarbazone) positron emission tomography radiopharmaceuticals with human serum albumin, and the serum albumins of four additional mammalian species, were evaluated. Methods: {sup 64}Cu-labeled diacetyl bis(N{sup 4}-methylthiosemicarbazonato)copper(II) (Cu-ATSM), pyruvaldehyde bis(N{sup 4}-methylthiosemicarbazonato)copper(II) (Cu-PTSM) and ethylglyoxal bis(thiosemicarbazonato)copper(II) (Cu-ETS) were synthesized and their binding to human, canine, rat, baboon and porcine serum albumins quantified by ultrafiltration. Protein binding was also measured for each tracer in human, porcine, rat and mouse serum. Results: The interaction of these neutral, lipophilic copper chelates with serum albumin is highly compound- and species-dependent. Cu-PTSM and Cu-ATSM exhibit particularly high affinity for human serum albumin (HSA), while the albumin binding of Cu-ETS is relatively insensitive to species. At HSA concentrations of 40 mg/ml, '% free' (non-albumin-bound) levels of radiopharmaceutical were 4.0{+-}0.1%, 5.3{+-}0.2% and 38.6{+-}0.8% for Cu-PTSM, Cu-ATSM and Cu-ETS, respectively. Conclusions: Species-dependent variations in radiopharmaceutical binding to serum albumin may need to be considered when using animal models to predict the distribution and kinetics of these compounds in humans.

  18. Highly Efficient Synthesis of Novel Poly-aza Bis-histidines

    Institute of Scientific and Technical Information of China (English)

    ZHOU Cheng-He; Juan F. Miravet; LIU Qiang; M. Isabel Burguete; Santiago V. Luis

    2003-01-01

    @@ A series of novel poly-aza bis-histidines with much potential in medicinal, bioinorganic, bioorganic, biomimetic and supramolecular chemistry were synthesized conveniently, efficiently and readily in excellent yields from commercial histidine. The low temperature in the reaction of the protected histidine with poly-aza diamine 5 is key condition for the selective preparation of target compounds with high yields.

  19. Synthesis, characterization and behaviour of trans-bis (argininate) copper (II) to gamma radiation

    International Nuclear Information System (INIS)

    The synthesis, the characterization and the behaviour to gamma radiation of trans-bis (argininate) copper (II) are presented. The synthesis is made from copper sulfate, sodium hydroxide and hydrochloride of L (+) arginine, in aqueous medium, and the characterization by infrared spectroscopy, visible and ultraviolet spectroscopy and elementary analysis. (C.G.C.)

  20. Synthesis 1, 3-bis (4-bromophenyl-5-isopropyl-1, 3, 5-triazacyclohexane

    Directory of Open Access Journals (Sweden)

    L. LEFRADA

    2015-03-01

    Full Text Available Condensation of an isopropylamine and an 4-bromoaniline with formaline in basic solution to give 1, 3-bis (4-bromophenyl-5- (isopropyl- 1, 3, 5- triazicyaclohexane. Through the interaction of rapid Schiff base, Structures of this compound have been elucidated by spectroscopic methods; IR, 1H NMR, 13C NMR. Their purities were confirmed by elemental analyses.

  1. Die Freiheit ist grausam : die schwierige Geschichte der baltischen Staaten bis heute / Wilhelm Schmid

    Index Scriptorium Estoniae

    Schmid, Wilhelm

    1993-01-01

    Raamatututvustused: Marianna Butenschön. Estland, Lettland, Litauen : das Baltikum auf dem langen Weg in die Freiheit. München: Piper Verlag, 1992 (Serie Piper 1416). 367 S. ; Alexander Schmidt. Geschichte des Baltikums : von den alten Göttern bis zur Gegenwart. München : Piper Verlag, 1992. (Serie Piper 1518). 288 S.

  2. Lecture notes on: Electrical theory behind the measurement of body fluids with bioimpedance spectroscopy (BIS)

    DEFF Research Database (Denmark)

    Jødal, Lars

    The lecture notes describe how body fluid volumes can be measured/estimated using the technique bio-impedance spectroscopy (BIS). The opening chapters assume little or none technical/mathematical knowledge and can hopefully be read by anyone interested in the techneque. Later chapters become more...

  3. Structural and evolutionary relationships among RuBisCOs inferred from their large and small subunits.

    Science.gov (United States)

    Xiang, Fu; Fang, Yuanping; Xiang, Jun

    2016-01-01

    Ribulose 1,5-bisphosphate carboxylase/oxygenase (RuBisCO) is the key enzyme to assimilate CO(2) into the biosphere. The nonredundant structural data sets for three RuBisCO domain superfamilies, i.e. large subunit C-terminal domain (LSC), large subunit N-terminal domain (LSN) and small subunit domain (SS), were selected using QR factorization based on the structural alignment with QH as the similarity measure. The structural phylogenies were then constructed to investigate a possible functional significance of the evolutionary diversification. The LSC could have occurred in both bacteria and archaea, and has evolved towards increased complexity in both bacteria and eukaryotes with a 4-helix-2-helix-2-helix bundle being extended into a 5-helix-3-helix-3-helix one at the LSC carboxyl-terminus. The structural variations of LSN could have originated not only in bacteria with a short coil, but also in eukaryotes with a long one. Meanwhile, the SS dendrogram can be contributed to the structural variations at the βA-βB-loop region. All the structural variations observed in the coil regions have influence on catalytic performance or CO(2)/O(2) selectivities of RuBisCOs from different species. Such findings provide insights on RuBisCO improvements. PMID:27049618

  4. Study on a green synthesis of μ-oxo-bis [tetraarylphenylporphyrinatoiron

    Institute of Scientific and Technical Information of China (English)

    Aixin WANG; Yuanbin SHE; Jing FAN

    2009-01-01

    A novel method for the synthesis of μ-oxo-bis [tetraarylporphyrinatoiron] ([TRPPFe]2O) based on the reaction between tetraarylporphyrinironchloride (TRPPFeCl) and H2O in toluene was investigated in this paper. Three kinds of [TRPPFe]2O were synthesized by this novel synthetic method, and their structures were characterized by elemental analysis, IR spectra and UV-Vis spectroscopy.

  5. 3,5-Bis[(dimethylamino)methyl]-1-nitro-4-(trimethylsilyl)benzene

    NARCIS (Netherlands)

    von Chrzanowski, L.S.; Lutz, M.; Spek, A.L.; Slagt, M.Q.; van Koten, G.

    2007-01-01

    The title compound, C15H27N3O2Si, which is an NCN {NCN = 2,6-bis[(dimethylamino)methyl]phenyl} pincer ligand, nitro-substituted in the para position, features intramolecular C—H...N and intermolecular C—H...O hydrogen-bond contacts producing dimeric units. The Si atoms are essentially tetrahedral wi

  6. Bis(pyrrolo)tetrathiafulvalene - An Efficient Pi-Donor in Supramolecular Chemistry

    DEFF Research Database (Denmark)

    Lau, Jesper; Nielsen, Mogens Brøndsted; Thorup, Niels;

    1999-01-01

    The synthesis of three novel macrocycles 3-5 based on the two electron donors bis(2,5-dimethyl- pyrrolo)[3,4-d]tetrathiafulvalene (1) and 1,4-hydroquinone is presented. Their abilities to include the electron acceptor paraquat (6) have been investigated by UV/Vis and sup 1 H NMR spectroscopy and ...

  7. [Lexikon des alten Handwerks. Vom späten Mittelalter bis ins 20. Jahrhundert] / Raimo Pullat

    Index Scriptorium Estoniae

    Pullat, Raimo, 1935-

    2009-01-01

    Arvustus: Lexikon des alten Handwerks. Vom späten Mittelalter bis ins 20. Jahrhundert. Hrsg. von Reinhold Reith. München, 1991. Leksikoni autorid on piirdunud geograafiliselt saksa keeleruumiga. Kirjeldatud on peamiselt neid elukutseid, mis kajastavad nn vana käsitöö töö- ja elulaadi põhielemente.

  8. Synthesis and Characterisation of Bis-(chloromethyl Oxetane, its Homopolymer and Copolymer with Tetrahydrofuran

    Directory of Open Access Journals (Sweden)

    T. S. Reddy

    2006-07-01

    Full Text Available Bis-(chloromethyl oxetane (BCMO was synthesised from pentaerythritol by chlorination,followed by ring closure. It was polymerised using BF3-etherate and butanediol system, similarlythe BCMO–THF (tetrahydrofuran copolymer was also synthesised. The monomers and thepolymers were characterised by IR, 1H-NMR and molecular weight. Flame retardant propertiesof the poly-BCMO were also investigated.

  9. N-doping of organic semiconductors by bis-metallosandwich compounds

    Energy Technology Data Exchange (ETDEWEB)

    Barlow, Stephen; Qi, Yabing; Kahn, Antoine; Marder, Seth; Kim, Sang Bok; Mohapatra, Swagat K.; Guo, Song

    2016-01-05

    The various inventions disclosed, described, and/or claimed herein relate to the field of methods for n-doping organic semiconductors with certain bis-metallosandwich compounds, the doped compositions produced, and the uses of the doped compositions in organic electronic devices. Metals can be manganese, rhenium, iron, ruthenium, osmium, rhodium, or iridium. Stable and efficient doping can be achieved.

  10. Azido[1,1'-bis(diphenylphosphino)ferrocene](pentamethylcyclopentadienyl)rhodium(III) hexafluorophosphate.

    Science.gov (United States)

    Han, Won Seok; Lee, Soon W

    2004-04-01

    In the title compound, azido-2kappaN-bis[micro-(1eta(5):2kappaP)-diphenylphosphinocyclopentadienyl][2(eta(5))-pentamethylcyclopentadienyl]iron(III)rhodium(III) hexafluorophosphate, [[Rh(C(10)H(15))(N(3))][Fe(micro-C(17)H(14)P)(2)

  11. Shuttling as a Strategy to Control the Regiochemistry of Bis-Additions on Fullerene Derivatives.

    Science.gov (United States)

    Carini, Marco; Da Ros, Tatiana; Prato, Maurizio; Mateo-Alonso, Aurelio

    2016-06-17

    The reactivity of a fullerene-stoppered rotaxane, a C60 monoadduct, towards a second cycloaddition reaction is explored. The close proximity of the macrocycle to the fullerene sphere is able to allosterically influence the second cycloaddition reaction, giving rise to a selected mixture of bis-adducts. PMID:26762593

  12. Long alkyl chain bis-quaternary ammonium-based ionic liquids as biologically active xanthene dyes

    Energy Technology Data Exchange (ETDEWEB)

    Pernak, Juliusz; Swierczynska, Anna; Walkiewicz, Filip [Poznan Univ. of Technology, Poznan (Poland). Faculty of Chemical Technology; Krystkowiak, Ewa [A. Mickiewicz University, Poznan, (Poland). Faculty of Chemistry; Maciejewski, Andrzej [A. Mickiewicz University, Poznan (Poland). Centre of Ultrafast Laser Spectroscopy

    2009-07-01

    New examples of air- and moisture-stable, hydrophobic and hydrophilic bis-quaternary ammonium derived ionic liquids have been prepared. These ionic liquids have been proposed to act as biological active dyes with characteristic unique physicochemical properties, providing alternatives to some conventional anionic xanthene dyes such as eosine Y, fluorescein and erythrosine. (author)

  13. Synthesis and applications of gem-bis-phosphonates, powerful complexing agents of metals

    International Nuclear Information System (INIS)

    This thesis was devoted to the development of new ways to prepare gem-bis-phosphonates compounds (BPs), and was carried out under the Program of Nuclear and Environmental Toxicology (ToxNuc-E). Two applications of these compounds have been investigated, the preparation of potent ligands of the uranyl ion for a target of decorporation, and the preparation of new anticancer compounds. The first of these applications was the consequence of work done in the laboratory, that have shown the strong uranium-binding properties of bis-phosphonic ligands. The in vivo tests performed on these compounds have shown the tendency of these ligands to cause liver accumulation of uranium, we wanted to address this problem by modifying the method of anchoring of the bis-phosphonates functions. To this end we have developed a new way to access to these compounds using a metal-carbenoid mediated poly-ols and poly-amines insertion, the metal-carbenoid species bearing the bis-phosphonate function. Regarding the preparation of BPs as anticancer agents, we have developed a new synthetic pathway using a phosphine catalyzed α-P addition of phosphorated pro-nucleophiles to alkynyl-phosphonates as a key step. This enabled us to prepare thirty compound whose activity was evaluated on two cell lines (A431 and HuH7). Five of these compounds possess an activity equivalent to that of the compound described as the most active, the Zoledronate. (author)

  14. Enantioselective Addition of Organolithium Reagents to Imines Mediated by C2-Symmetric Bis(aziridine) Ligands

    DEFF Research Database (Denmark)

    Johansson, F.; Tanner, David Ackland

    1998-01-01

    The C-2-symmetric bis(aziridine) ligands 1 - 5 have been screened in the enantioselective addition of organolithium reagents to imines. Ligand 1 (used in stoichiometric amounts) was found to be superior in terms of chemical yield and enantioselectivity, the best result being 90% yield and 89% e.e...

  15. A CFD-based analysis of the 14-Bis aircraft aerodynamics and stability

    Directory of Open Access Journals (Sweden)

    Leonardo Ostan Bitencourt

    2011-05-01

    Full Text Available The work reported in the present paper was performed to honor the centennial of the flight by Alberto Santos Dumont with his 14-Bis aircraft. The paper describes results for a computational fluid dynamics (CFD analysis of the 14-Bis aircraft aerodynamics and flight stability. The 14-Bis aircraft geometry was generated from historical sources and observations. CFD computations were performed using well-established commercial codes for calculation of the historical flight conditions. Simulations considered a Reynolds-averaged Navier-Stokes formulation, in which turbulence closure was achieved by using Menter's model. The flight conditions investigated were primarily concerned with historical observations regarding flight speeds and the need for a more powerful engine, as well as flight stability characteristics of the 14-Bis airplane, which are unknown up to the present day. The results led to qualitative agreement with historical reports, although quite interesting conclusions could be drawn with regard to the actual aerodynamic flight speeds and the aircraft stability parameters.

  16. Pharmacological characterization and modeling of the binding sites of novel 1,3-bis(pyridinylethynyl)benzenes as metabotropic glutamate receptor 5-selective negative allosteric modulators

    DEFF Research Database (Denmark)

    Mølck, Christina; Harpsøe, Kasper; Gloriam, David E;

    2012-01-01

    Metabotropic glutamate receptor subtype 5 (mGluR5) is a potential drug target in neurological and psychiatric disorders, and subtype-selective allosteric modulators have attracted much attention as potential drug candidates. In this study, the binding sites of three novel 2-methyl-6-(phenylethynyl......)pyridine (MPEP)-derived negative allosteric modulators, 2-, 3-, and 4-BisPEB, have been characterized. 2-, 3-, and 4-BisPEB are 1,3-bis(pyridinylethynyl)-benzenes and differ only by the position of the nitrogen atoms in the pyridine rings. Despite their high structural similarity, 2-BisPEB [1,3-bis(pyridin-2...

  17. Operando High-Pressure NMR and IR Study of the Hydroformylation of 1-Hexene by 1,1’-Bis-(Diarylphosphino)metallocene-Modified Rhodium(I) Catalyst

    OpenAIRE

    BIANCHINI, C.; W. OBERHAUSER; Orlandini, A; C. Giannelli; P. Frediani

    2005-01-01

    Some rhodium(I) complexes of the general formula [Rh(P-P)(COD)]X were synthesized and characterized by multinuclear NMR spectroscopy (COD ) cyclocta-1,5-diene; P-P ) 1,1'-bis(diphenylphosphino)ferrocene, dppf, X ) BPh4, PF6; P-P ) 1,1'-bis(diphenylphosphino) ruthenocene, dppr, X ) BPh4; P-P ) 1,1'-bis(diphenylphosphino)osmocene, dppo, X ) BPh4, PF6; P-P ) 1,1'-bis(diphenylphosphino)octamethylferrocene, dppomf, X ) BAr'4; P-P ) (1,1'-bis(di(o-isopropylphenyl)phosphino)ferrocene, o-iPr-dppf,...

  18. Study on the Difference of BIS/BAS Scale between Sasang Types

    Directory of Open Access Journals (Sweden)

    Soo Jin Lee

    2015-01-01

    Full Text Available Introduction. The purpose of this study was to examine the differences in temperament between So-Yang (SY and So-Eum (SE Sasang types using Behavioral Inhibition System/Behavioral Activation System (BIS/BAS scale to elucidate the biopsychological mechanism underlying the Sasang typology, a traditional Korean personalized medicine. Methods. 248 university students were categorized into three Sasang types, and series of t-tests were conducted, separately for male and female participants, to examine the difference of Behavioral Inhibition System (BIS, Behavioral Activation System (BAS, BAS-Drive (BAS-D, BAS-Fun Seeking (BAS-FS, and BAS-Reward Responsiveness (BAS-RR scores between SY and SE Sasang types. Results. There were significant differences between Sasang types in the BIS/BAS subscales with consideration of gender. In male participants, BAS-total score of SY type (39.75±4.56 was significantly (t=2.462, p=0.016 higher than that of SE type (36.68±4.97. On the other hand, in female participants, BIS score of SY type (20.10±4.01 was significantly (t=-2.097, p=0.039 lower than that of SE type (21.83±3.91. Discussion. The current study suggested relationship between Sasang typology and Behavior Inhibition and Activation Systems and showed significant differences in BIS/BAS scale between SY and SE Sasang types. Further studies on biological base of Sasang typology are needed.

  19. Applications of "Hot" and "Cold" Bis(thiosemicarbazonato) Metal Complexes in Multimodal Imaging.

    Science.gov (United States)

    Cortezon-Tamarit, Fernando; Sarpaki, Sophia; Calatayud, David G; Mirabello, Vincenzo; Pascu, Sofia I

    2016-06-01

    The applications of coordination chemistry to molecular imaging has become a matter of intense research over the past 10 years. In particular, the applications of bis(thiosemicarbazonato) metal complexes in molecular imaging have mainly been focused on compounds with aliphatic backbones due to the in vivo imaging success of hypoxic tumors with PET (positron emission tomography) using (64) CuATSM [copper (diacetyl-bis(N4-methylthiosemicarbazone))]. This compound entered clinical trials in the US and the UK during the first decade of the 21(st) century for imaging hypoxia in head and neck tumors. The replacement of the ligand backbone to aromatic groups, coupled with the exocyclic N's functionalization during the synthesis of bis(thiosemicarbazones) opens the possibility to use the corresponding metal complexes as multimodal imaging agents of use, both in vitro for optical detection, and in vivo when radiolabeled with several different metallic species. The greater kinetic stability of acenaphthenequinone bis(thiosemicarbazonato) metal complexes, with respect to that of the corresponding aliphatic ATSM complexes, allows the stabilization of a number of imaging probes, with special interest in "cold" and "hot" Cu(II) and Ga(III) derivatives for PET applications and (111) In(III) derivatives for SPECT (single-photon emission computed tomography) applications, whilst Zn(II) derivatives display optical imaging properties in cells, with enhanced fluorescence emission and lifetime with respect to the free ligands. Preliminary studies have shown that gallium-based acenaphthenequinone bis(thiosemicarbazonato) complexes are also hypoxia selective in vitro, thus increasing the interest in them as new generation imaging agents for in vitro and in vivo applications. PMID:27149900

  20. Redox noninnocence of the bridge in copper(II) salophen and bis(oxamato) complexes.

    Science.gov (United States)

    de Bellefeuille, David; Orio, Maylis; Barra, Anne-Laure; Aukauloo, Ally; Journaux, Yves; Philouze, Christian; Ottenwaelder, Xavier; Thomas, Fabrice

    2015-09-21

    Two square-planar copper(II) complexes of 1,2-bis(2-hydroxy-3,5-di-tert-butylbenzimino)-4,5-bis(dimethylamino)benzene (1) and N-[4,5-bis(dimethylamino)-2-(oxalylamino)benzene]oxamate (2(2-)) were prepared. The crystal structures of the proligands H2L(1) and Et2H2L(2), as well as the corresponding complexes, are reported. The proligands each display a one-electron-oxidation wave, which is assigned to oxidation of the bis(dimethylamino)benzene moiety into a π radical. Complexes 1 and 2(2-) exhibit reversible one-electron-oxidation waves in their cyclic voltammograms (E1/2(1) = 0.14 and E1/2(2) = 0.31 V for 1 and E1/2(1) = -0.47 V vs Fc(+)/Fc for 2(2-)). The first process corresponds to oxidation of the bis(dimethylamino)benzene central ring into a π radical, while the second process for 1 is ascribed to oxidation of the π radical into an α-diiminoquinone. The one-electron-oxidized species 1(+) and 2(-) exhibit intense visible-near-IR absorptions, which are diagnostic of π radicals. They display a triplet signal in their electron paramagnetic resonance spectra, which stem from magnetic coupling between the ligand-radical spin and the copper(II) spin. The zero-field-splitting parameters are larger for 2(-) than 1(+) because of greater delocalization of the spin density onto the coordinated amidato N atoms. Density functional theory calculations support a π-radical nature of the one-electron-oxidized complexes, as well as S = 1 ground spin states. The electrogenerated 1(2+) comprises a closed-shell diiminoquinone ligand coordinated to a copper(II) metal center. Both 1 and 2 catalyze the aerobic oxidation of benzyl alcohol, albeit with different yields. PMID:26340100

  1. Synthesis, characterization, and reactivity of furan- and thiophene-functionalized bis(n-heterocyclic carbene) complexes of iron(II)

    KAUST Repository

    Rieb, Julia

    2014-09-15

    The synthesis of iron(II) complexes bearing new heteroatom-functionalized methylene-bridged bis(N-heterocyclic carbene) ligands is reported. All complexes are characterized by single-crystal X-ray diffraction (SC-XRD), nuclear magnetic resonance (NMR) spectroscopy, and elemental analysis. Tetrakis(acetonitrile)-cis-[bis(o-imidazol-2-ylidenefuran)methane]iron(II) hexafluorophosphate (2a) and tetrakis(acetonitrile)-cis-[bis(o-imidazol-2-ylidenethiophene)methane]iron(II) hexafluorophosphate (2b) were obtained by aminolysis of [Fe{N(SiMe3)2}2(THF)] with furan- and thiophene-functionalized bis(imidazolium) salts 1a and 1b in acetonitrile. The SC-XRD structures of 2a and 2b show coordination of the bis(carbene) ligand in a bidentate fashion instead of a possible tetradentate coordination. The four other coordination sites of these distorted octahedral complexes are occupied by acetonitrile ligands. Crystallization of 2a in an acetone solution by the slow diffusion of Et2O led to the formation of cisdiacetonitriledi[ bis(o-imidazol-2-ylidenefuran)methane]iron(II) hexafluorophosphate (3a) with two bis(carbene) ligands coordinated in a bidentate manner and two cis-positioned acetonitrile molecules. Compounds 2a and 2b are the first reported iron(II) carbene complexes with four coordination sites occupied by solvent molecules, and it was demonstrated that those solvent ligands can undergo ligand-exchange reactions.

  2. Synthesis of doubly ethyl-bridged bis(p-sulfonatocalix[4]arene) and its supramolecular polymerization with viologen dimer.

    Science.gov (United States)

    Wang, Kun-Peng; Guo, Dong-Sheng; Zhao, Hong-Xia; Liu, Yu

    2014-04-01

    A water-soluble supramolecular polymer with a high degree of polymerization and viscosity has been constructed based on the strong host-guest interaction between p-sulfonatocalix[4]arenes (SC4As) and viologen. A homoditopic doubly ethyl-bridged bis(p-sulfonatocalix[4]arene) (d-SC4A) was prepared and its binding behavior towards methyl viologen compared with the singly ethyl-bridged bis(p-sulfonatocalix[4]arene) (s-SC4A) by NMR spectroscopy and isothermal titration calorimetry. By employing a viologen dimer (bisMV(4+)) as the homoditopic guest, two linear AA/BB-type supramolecular polymers, d-SC4A⊃bisMV(4+) and s-SC4A⊃bisMV(4+), were successfully constructed. Compared with s-SC4A⊃bisMV(4+), d-SC4A⊃bisMV(4+) shows much higher solubility and viscosity, and has also been characterized by viscosity, diffusion-ordered NMR spectroscopy, dynamic light scattering, and atomic force microscopy measurements. Furthermore, the polymer is responsive to electrostimulus as viologen is electroactive, which was studied by cyclic voltammetry. This study represents a proof-of-principle as the polymer can potentially be applied as a self-healing and degradable polymeric material.

  3. Coordination chemistry of amine bis(phenolate) titanium complexes: tuning complex type and structure by ligand modification.

    Science.gov (United States)

    Tshuva, E Y; Goldberg, I; Kol, M; Goldschmidt, Z

    2001-08-13

    The coordination chemistry of titanium(IV) complexes of amine bis(phenolate) ligands was investigated by synthesizing various types of complexes and analyzing them specroscopically and structurally. Steric effects of tridentate [ONO]- and tetradentate [ONNO]-type ligands were studied by reacting the ligand precursors with titanium tetra(isopropoxide). [ONNO]-type ligands featuring an amine donor located on a pendant arm led to octahedral bis(isopropoxide) complexes, regardless of the steric bulk around the metal. Several such complexes having varying steric crowding were thus synthesized. On the other hand, steric effects were found to play a major role in determining the complex constitution when [ONO]-type ligands, featuring no side donor, were involved. Relatively sterically undemanding ligands led to octahedral bis(homoleptic) complexes, whereas increased steric bulk resulted in the formation of pentacoordinate bis(isopropoxide) complexes. These pentacoordinate complexes readily lead to bis(heteroleptic) complexes by reaction with nonsterically demanding [ONO]- and [ONNO]-type ligand precursors. In the latter case the sidearm nitrogen remains uncoordinated to the metal. The bis(isopropoxide) complexes of the [ONNO]-type ligands may also lead to bis(heteroleptic) complexes, however, these reactions are much slower. PMID:11487331

  4. Expression and purification of the modification-dependent restriction enzyme BisI and its homologous enzymes.

    Science.gov (United States)

    Xu, Shuang-Yong; Klein, Pernelle; Degtyarev, Sergey Kh; Roberts, Richard J

    2016-01-01

    The methylation-dependent restriction endonuclease (REase) BisI (G(m5)C ↓ NGC) is found in Bacillus subtilis T30. We expressed and purified the BisI endonuclease and 34 BisI homologs identified in bacterial genomes. 23 of these BisI homologs are active based on digestion of (m5)C-modified substrates. Two major specificities were found among these BisI family enzymes: Group I enzymes cut GCNGC containing two to four (m5)C in the two strands, or hemi-methylated sites containing two (m5)C in one strand; Group II enzymes only cut GCNGC sites containing three to four (m5)C, while one enzyme requires all four cytosines to be modified for cleavage. Another homolog, Esp638I cleaves GCS ↓ SGC (relaxed specificity RCN ↓ NGY, containing at least four (m5)C). Two BisI homologs show degenerate specificity cleaving unmodified DNA. Many homologs are small proteins ranging from 150 to 190 amino acid (aa) residues, but some homologs associated with mobile genetic elements are larger and contain an extra C-terminal domain. More than 156 BisI homologs are found in >60 bacterial genera, indicating that these enzymes are widespread in bacteria. They may play an important biological function in restricting pre-modified phage DNA.

  5. Stereoselective cyclotetramerization of a 3-(Hydroxymethyl)salicylaldehyde

    Science.gov (United States)

    Butler; Brown; Boger; Ferfolia; Fitzgibbons; Jongeling; Kelleher; Malec; Malerich; Weltner

    2000-12-28

    Both 3-(hydroxymethyl)-5-methylsalicylaldehyde and its acetonide condense in the presence of hydrogen chloride in ether to form macrocyclic S(4)-symmetric tetraacetal 2. The reaction is completely oligo- and stereoselective, forming only the tetramer and only the achiral (R,S,R,S)-stereoisomer. Acid-catalyzed equilibration studies and molecular mechanics calculations indicate that the stereoselectivity is thermodynamic in origin. In the crystal the saddle-shaped molecules of 2 form coaxial stacks reminiscent of the packing of Pringles potato chips. PMID:11150180

  6. Molecular characterization of a deep-sea methanotrophic mussel symbiont that carries a RuBisCO gene

    OpenAIRE

    Elsaied, Hosam Easa; Kaneko, Ryo; Naganuma, Takeshi

    2006-01-01

    In our previous investigation on the genes of 1,5-bisphosphate carboxylase/oxygenase (RuBisCO; EC 4.1.1.39) in deep-sea chemoautotrophic and methanotrophic endosymbioses, the gene encoding the large subunit of RuBisCO form I (cbbL) had been detected in the gill of a mussel belonging to the genus Bathymodiolus from a western Pacific back-arc hydrothermal vent. This study further revealed the symbiont source of the RuBisCO cbbL gene along with the genes of 16S ribosomal RNA (16S rDNA), particul...

  7. BOOK REVIEW: Meilensteine der Astronomie - Von Aristoteles bis Hawking

    Science.gov (United States)

    Duerbeck, H. W.; Hamel, J.

    2006-12-01

    A writer, more specific a writer on the history of astronomy, might from time to time look at the collected document folders with all the research material and reprints, and might wonder: has this been all? Especially at a time when recycling is in vogue? And, perhaps with a request or an invitation to submit something, he or she might consider re-using the material before its definitive disposal. Well, such are my feelings when I looked at Jurgen Hamel's new book Milestones of Astronomy - From Aristoteles to Hawking . A slight chance for survival of medium-sized publishers like Kosmos is to offer popular books, and a title must attract potential buyers: Aristoteles means the "old" times, and as concerns the "mad scientist" of modern times, Stephen Hawking has by now dethroned Einstein. In 1998, Hamel had published a Geschichte der Astronomie - Von den Anfangen bis zur Gegenwart (History of astronomy, from the beginnings to the present), which, of course, he could not simply copy. This time, he selected some stones from his research areas - milestones, touchstones, stumbling blocks in the long road of astronomical evolution - and put them between the covers of his new book. So let us look at these (mile)stones . The reader is informed about Aristoteles on 2 pages, but his medieval interpreter Johannes de Sacrobosco gets 8 pages! Copernicus' life and achievements are described on 9 pages, closely followed by his devotee and translator Rothmann with 8 pages; Copernicus' contemporary, Peter Apian, however, gets about 13! Bessel's and Herschel's lifes and works are described on well-deserved 13 and 15 pages, while the achievements of the two Lucasian professors, Isaac Newton and Stephen Hawking, are just outlined in a single paragraph! Thus, importance is sometimes inversely proportional to text length... But let us become serious now. Why should an active historian outline, for the hundreth time, the life of Copernicus, while there are so many interesting, and often

  8. (μ-Acetato-κ2O:O′[μ-2,6-bis({bis[(pyridin-2-yl-κNmethyl]amino-κN}methyl-4-methylphenolato-κ2O:O](methanol-κOdizinc bis(perchlorate

    Directory of Open Access Journals (Sweden)

    Biswanath Das

    2014-04-01

    Full Text Available The binuclear title complex, [Zn2(C33H33N6O(CH3COO2(CH3OH](ClO42, was synthesized by the reaction between 2,6-bis({[bis(pyridin-2-ylmethyl]amino}methyl-4-methylphenol (H-BPMP, Zn(OAc2 and NaClO4. The two ZnII ions are bridged by the phenolate O atom of the octadentate ligand and the acetate group. An additional methanol ligand is terminally coordinated to one of the ZnII ions, rendering the whole structure unsymmetric. Other symmetric dizinc complexes of BPMP have been reported. However, to the best of our knowledge, the present structure, in which the two ZnII ions are distinguishable by the number of coordinating ligands and the coordination geometries (octahedral and square-pyramidal, is unique. The dizinc complex is a dication, and two perchlorate anions balance the charge. The –OH group of the coordinating methanol solvent molecule forms a hydrogen bond with a perchlorate counter-anion. One of the anions is disordered over two sets of sites with an occupancy ratio of 0.734 (2:0.266 (2.

  9. Mechanistic Diversity in the RuBisCO Superfamily: The Enolase in the Methionine

    Energy Technology Data Exchange (ETDEWEB)

    Imker,H.; Fedorov, A.; Fedorov, E.; Almo, S.; Gerlt, J.

    2007-01-01

    D-Ribulose 1,5-bisphosphate carboxylase/oxygenase (RuBisCO), the most abundant enzyme, is the paradigm member of the recently recognized mechanistically diverse RuBisCO superfamily. The RuBisCO reaction is initiated by abstraction of the proton from C3 of the D-ribulose 1,5-bisphosphate substrate by a carbamate oxygen of carboxylated Lys 201 (spinach enzyme). Heterofunctional homologues of RuBisCO found in species of Bacilli catalyze the tautomerization ('enolization') of 2,3-diketo-5-methylthiopentane 1-phosphate (DK-MTP 1-P) in the methionine salvage pathway in which 5-methylthio-D-ribose (MTR) derived from 5'-methylthioadenosine is converted to methionine [Ashida, H., Saito, Y., Kojima, C., Kobayashi, K., Ogasawara, N., and Yokota, A. (2003) A functional link between RuBisCO-like protein of Bacillus and photosynthetic RuBisCO, Science 302, 286-290]. The reaction catalyzed by this 'enolase' is accomplished by abstraction of a proton from C1 of the DK-MTP 1-P substrate to form the tautomerized product, a conjugated enol. Because the RuBisCO- and 'enolase'-catalyzed reactions differ in the regiochemistry of proton abstraction but are expected to share stabilization of an enolate anion intermediate by coordination to an active site Mg{sup 2+}, we sought to establish structure-function relationships for the 'enolase' reaction so that the structural basis for the functional diversity could be established. We determined the stereochemical course of the reaction catalyzed by the 'enolases' from Bacillus subtilis and Geobacillus kaustophilus. Using stereospecifically deuterated samples of an alternate substrate derived from D-ribose (5-OH group instead of the 5-methylthio group in MTR) as well as of the natural DK-MTP 1-P substrate, we determined that the 'enolase'-catalyzed reaction involves abstraction of the 1-proS proton. We also determined the structure of the activated 'enolase' from G

  10. Synthesis of Unsymmetric Diene Fatty Acid Esters by Bis-Wittig Reaction%Bis-Wittig反应法合成不对称二烯腊肪酸酯

    Institute of Scientific and Technical Information of China (English)

    唐子龙; 胡忠于; 刘汉文

    2007-01-01

    双季鏻盐1与n-BuLi反应生成膦双叶德2,接着与两种不同的醛发生bis-Wittig反应成功地合成了天然产物二烯脂肪酸甲酯7a及两个新的类似物7b和7c,产率为24%~30%.该法具有原料易得,路线短等特点.产物的结构用IR、1HNMR、和Ms等进行了表征.图3,参16.

  11. Electronic spectroscopy and photochromic mechanism of bis-Schiff bases, N, N’-bis(2-hydroxy-1-naphthylidene)-1,4-phenyldiamine

    Institute of Scientific and Technical Information of China (English)

    明阳福; 黄震年; 樊美公; 许宝安; 金声; 姚思德

    1997-01-01

    The steady state and transient state absorption spectra and fluorescence spectra of N,N’-bis(2-hy-droxy-1-napbthylidcne)-1,4-phenyldiamme ( BNP ) in cyclohexane and acetonitrile were determined.The pho-tochromic mechanism was discussed In nonpolar solvents,BNP exists mainly in the enol form and has the absorption maximum in the UV region In polar solvents,however,both the enol and proton transfer tautomer are formed,but the farmer is the main one Fluorescence emissions result from the excited state of proton transfer product.

  12. Bis[2,6-bis(1-methyl-1H-benzimidazol-2-yl-κN3pyridine-κN]zinc dipicrate methanol disolvate

    Directory of Open Access Journals (Sweden)

    Xuyang Fan

    2012-08-01

    Full Text Available In the title compound, [Zn(C21H17N52](C6H2N3O72·2CH3OH, the ZnII atom is coordinated by six N atoms from two tridentate 2,6-bis(1-methyl-1H-benzimidazol-2-ylpyridine ligands in a distorted octahedral environment. In the crystal, the picrate anions and methanol solvent molecules are connected by O—H...O hydrogen bonds. Weak intermolecular C—H...O hydrogen bonds are also observed.

  13. Review: Holger Stoecker: Afrikawissenschaften in Berlin von 1919 bis 1945. Zur Geschichte und Topographie eines wissenschaftlichen Netzwerkes (2008 Buchbesprechung: Holger Stoecker: Afrikawissenschaften in Berlin von 1919 bis 1945. Zur Geschichte und Topographie eines wissenschaftlichen Netzwerkes

    Directory of Open Access Journals (Sweden)

    Katrin Bromber

    2009-05-01

    Full Text Available Review of the monograph: Holger Stoecker: Afrikawissenschaften in Berlin von 1919 bis 1945. Zur Geschichte und Topographie eines wissenschaftlichen Netzwerkes, Stuttgart: Franz Steiner Verlag 2008, ISBN 978-3-515-09161-9, 359 pages. Besprechung der Monographie: Holger Stoecker: Afrikawissenschaften in Berlin von 1919 bis 1945. Zur Geschichte und Topographie eines wissenschaftlichen Netzwerkes, Stuttgart: Franz Steiner Verlag 2008, ISBN 978-3-515-09161-9, 359 Seiten.

  14. Russian Laminar Flow Airfoils 3rd Part: Measurements on the Profile No. 2315 BIS with Ava-Nose Flap

    Science.gov (United States)

    Riegels, F.

    1947-01-01

    The tests on the Russian airfoil 2315 Bis were continued. This airfoil shows, according to Moscow tests, good laminar flow characteristics. Several tests were prepared in the large wind tunnel at Gottingen; partial results were obtained.

  15. [Prehn, Ulrich. Max Hildebert Boehm. Radikales Ordnungsdenken vom Ersten Weltkrieg bis in die Bundesrepublik] / Karsten Brüggemann

    Index Scriptorium Estoniae

    Brüggemann, Karsten, 1965-

    2015-01-01

    Arvustus: Prehn, Ulrich. Max Hildebert Boehm. Radikales Ordnungsdenken vom Ersten Weltkrieg bis in die Bundesrepublik (Hamburger Beiträge zur Sozizl- und Zeitgeschichte, 51). Wallstein Verlag. Göttingen 2013

  16. The supramolecular design of low-dimensional carbon nano-hybrids encoding a polyoxometalate-bis-pyrene tweezer.

    Science.gov (United States)

    Modugno, Gloria; Syrgiannis, Zois; Bonasera, Aurelio; Carraro, Mauro; Giancane, Gabriele; Valli, Ludovico; Bonchio, Marcella; Prato, Maurizio

    2014-05-18

    A novel bis-pyrene tweezer anchored on a rigid polyoxometalate scaffold fosters a unique interplay of hydrophobic and electrostatic supramolecular interactions, to shape carbon nanostructures (CNSs)-based extended architectures.

  17. Synthesis and Structure of Zinc Complex of N, N-bis ( benzimidazol-2-yl-methyl ) amine

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The Zinc complex of N, N-bis (benzimidazol-2-yl-methyl)amine has been synthesized and its crystal structure determined by X-ray diffraction method. The structure features of the complex are described.

  18. Organonickel(II) complexes with anionic tridentate 1, 3-bis(azolylmethyl)phenyl ligands. synthesis, structural characterization and catalytic behavior

    Energy Technology Data Exchange (ETDEWEB)

    Hurtado, John; Rojas, Rene; Valderrama, Mauricio, E-mail: jmvalder@puc.cl [Departamento de Quimica Inorganica, Facultad de Quimica, Pontificia Universidad Catolica de Chile, Santiago (Chile); Ibanez, Andres [Centro para la Investigacion Interdisciplinaria Avanzada en Ciencia de los Materiales (CIMAT), Santiago (Chile); Froehlich, Roland [Organisch Chemisches Institut der Universitaet Muenster, Muenster (Germany)

    2011-09-15

    The reaction of 2-bromo-1,3-bis(bromomethyl)benzene with 3,5-dimethylpyrazole and {sup 1}H-indazole yields the tridentate ligands 2-bromo-1,3-bis(3,5-dimethylpirazol-1-ylmethyl)benzene (1) and 2-bromo-1,3-bis(indazol-2-ylmethyl)benzene (2). These compounds react with [Ni(cod)2] in tetrahydrofuran (thf) to form the oxidative addition complexes [NiBr{l_brace}1,3-bis(azolylmethyl)phenyl-N,C,N{r_brace}], azol 3,5-dimethylpyrazol (3), indazol (4), which were isolated in good yields as stable yellow solids and characterized by elemental analysis, Fourier-transform infrared spectroscopy (FTIR), mass spectroscopy and nuclear magnetic resonance (NMR). In addition, the molecular structures of 2 and 4 were determined by single-crystal X-ray diffraction analysis. Complex 4 was tested as a catalyst in ethylene polymerization reaction. (author)

  19. Asymmetric nitrogen. Communications 38. Optically active 1-hydroxyl-, 1-alkoxycarbonyloxy-, and 1-tosyloxy-2, 2-bis(trifluoromethyl)-aziridines

    Energy Technology Data Exchange (ETDEWEB)

    Kostyanovskii, R.G.; Chervin, I.I.; Kadorkina, G.K.; Maldonado, I.K.A.; Nasibov, S.S.

    1985-08-20

    The authors accomplish the separation of diastereomers Xa,b and KIa,b obtained from chiral alkoxycarbonyl derivatives of hexafluoracetone oxime by reaction with CH/sub 2/N/sub 2/ through the corresponding triazolines, which were decomposed to the aziridines by photolysis or by the action of Et/sub 2/O.BF/sub 3/ at 20 C. Diasteromeric 1-alkoxycarbonyloxy-2,2-bis(trifluormethyl)ariridines, which were speated by crystallization and chromatography, under the influence of phenylhydrazine acylates give optically active 1-hydroxy-2,2-bis(trifluoromethyl)aziridine, on the basis of which optically active 1-tosyloxy-2,2-bis(trifluoromethyl)aziridine was obtained. The activation parameters of the epimerization of diasteromeric 1-alkoxycarbonyloxy-2,2-bis(trifluoromethyl)aziridine were found.

  20. Symmetry lowering in LaOBiS2. A mother material for BiS2-based layered superconductors

    International Nuclear Information System (INIS)

    We report X-ray diffraction studies of single-crystal samples of LaOBiS2 and CeOBiS2, which are mother materials for BiS2-based layered superconductors. The structural symmetry in LaOBiS2 is lowered from tetragonal to monoclinic, whereas no such symmetry lowering occurs in CeOBiS2. Crystal structure analysis demonstrates that the space group of LaOBiS2 is monoclinic P21m. The in-plane S atoms uniformly shift along the a-axis in each BiS2 layer. Because the directions of the shift are opposite in the two adjacent BiS2 layers, the spatial inversion symmetry remains. The distortion is attributed to the in-plane lattice mismatch between the BiS2 layers and the block layers. (author)

  1. Three 2 D copper(II)/cadmium(II) coordination polymers based on semi-rigid/flexible bis-pyridyl-bis-amide ligands and 5-aminoisophthalate: Syntheses, structures and properties

    Indian Academy of Sciences (India)

    Hongyan Lin; Huizhe Lu; Mao Le; Jian Luan; Xiuli Wang; Cuocheng Liu

    2015-07-01

    Three new transition metal coordination polymers [Cu(3-bpcb)0.5(5-AIP)]·2H2O (1), [Cd(3-bpcb)0.5(5-AIP)(H2O)]·H2O (2) and [Cd(3-bpsa)0.5(5-AIP)(H2O)]·2H2O (3) have been hydrothermally synthesized by self-assembly of 5-aminoisophthalic acid (5-H2 AIP), semi-rigid or flexible bis-pyridyl-bis-amide ligands [3-bpcb = N N′-bis(3-pyridinecarboxamide)-1,4-benzene, 3-bpsa = N,N′-bis(3-pyridyl)succinamide], and copper chloride or cadmium nitrate. X-ray diffraction analysis reveals that compounds 1 and 2 possess similar 2 D double-layered structures with (3,4)-connected (63)(65·8) topology, while compound 3 displays a 2 D layer with {62.10}{6} topology. The adjacent layers of 1–3 are finally extended into 3 D supramolecular frameworks by hydrogen bonding interactions. The bis-pyridyl-bis-amide ligands with different flexibilities play an important role in the construction of final topological structures for the title compounds. Further, the electrochemical behavior of the compound 1 and the fluorescent and photocatalytic properties of compounds 1–3 have been investigated.

  2. Synthesis and antiprotozoal activity of mono- and bis-uracil isatin conjugates against the human pathogen Trichomonas vaginalis.

    Science.gov (United States)

    Kumar, Kewal; Liu, Nicole; Yang, Donald; Na, Daniel; Thompson, John; Wrischnik, Lisa A; Land, Kirkwood M; Kumar, Vipan

    2015-08-15

    A library of mono- and bis-uracil isatin conjugates were synthesized and subjected for the assessment of their in vitro activity against the protozoal pathogen Trichomonas vaginalis. The structure activity studies (SAR) revealed that the bis-uracil-isatin based conjugates were more effective than their corresponding mono conjugates in inhibiting the growth of T. vaginalis at approximately 10 μM with no visual effect on mammalian cells at the same concentration.

  3. Synthesis of Some New bis-Schiff Bases of Isatin and 5-Fluoroisatin in a Water Suspension Medium

    Directory of Open Access Journals (Sweden)

    D. Khalili

    2006-01-01

    Full Text Available Condensation of aromatic primary bis-amines with isatin (1H-indole-2,3-dione and 5-flouroisatin occurred cleanly and efficiently in a water suspension mediumwithout using any organic solvent or acid catalyst. The corresponding bis-Schiff baseswere obtained in good yields and were easily isolated by filtration. Their structures wereconfirmed by 1H-NMR, 13C-NMR, IR and mass spectra.

  4. Synthesis and properties of bis(p-aminosalicyl)borates of the 2 group metals of periodic system

    International Nuclear Information System (INIS)

    Potassium, zinc and cadmium bis(n-aminosalicyl) borates of the Me[N2C14H10O6B]2xnH2O composition have been obtained. The densities and crystal lattice plane spacings have been determined and the IR absorption spectra have been recorded. A tentative structure of the bis(n-aminosalicyl) borates is suggested on the basis of analysis of the IR spectra

  5. Relationships between Cloninger's biosocial model of personality and the behavioral inhibition/approach systems (BIS/BAS)

    OpenAIRE

    Mardaga, Solange; Hansenne, Michel

    2007-01-01

    Novelty seeking and harm avoidance are two major temperamental dimensions from the Cloninger's biosocial model of personality that are theoretically related to Gray's behavioral approach system (BAS) and behavioral inhibition system (BIS), respectively. The revised version of the temperament and character inventory (TCI-R) and the Carver and White BIS/BAS scales were developed to assess these constructs. Despite the theoretical relationships between the two models, no study investigated the a...

  6. Synthesis and Antimicrobial Properties of the Novel Fluorinated Bis-ammonium Salts with Two Primary Amine Groups

    Institute of Scientific and Technical Information of China (English)

    Jian Bin LUO; Qiang WANG; Hong TAN; Jie Hua LI; Yin Ping ZHONG

    2006-01-01

    In order to resolve the increasing resistance phenomena of the Gram-negative bacteria against single chain quaternary ammonium salts (QAS), lysine with a pedant fluorinated bis-ammonium salts was synthesized and its antimicrobial properties were evaluated in this work.The novel fluorinated bis-ammonium salts shows similar activity with conventional single chain quaternary ammonium salts against Gram-positive bacteria but stronger activity against Gram-negative bacteria and yeast compared with the single chained counterpart.

  7. Preparation of 166 Dy/166 Ho DTPA-bis biotin as a system of In vivo generator

    International Nuclear Information System (INIS)

    The objective of this work was to synthesize the complex 166 Dy/166 Ho - diethylen triamine pentaacetic-bis Biotin (166 Dy/166 Ho DTPA-bis Biotin) to evaluate its potential as a new radiopharmaceutical in directed radiotherapy. The Dysprosium-166 was obtained for neutron irradiation of 164 Dy203 in the TRIGA Mark III reactor. The labelled was carried out in aqueous solution to p H 8.0 for addition of 166 Dy Cl3 to the diethylen triamine pentaacetic-α, ω-bis Biotin (DTPA-bis Biotin). The radiochemical purity was determined for HPLC and ITLC. The biological integrity of the marked biotin is evaluated by the biological recognition of the avidin for HPLC - molecular exclusion with and without avidin addition. The studies of stability in vitro were made in dilutions of saline solution to 0.9% and with human serum at 37 C incubated 1 and 24 hours. The complex 166 Dy/166 Ho DTPA-bis Biotin was obtained with a radiochemical purity of 99.1 ± 0.6%. The biological recognition of the complex 166 Dy/166 Ho DTPA-bis Biotin for the avidin it doesn't affect the labelling procedure. The studies in vitro demonstrated that the 166 Dy/166 Ho DTPA-bis Biotin is stable after the dilution in saline solution and in human serum that there is not translocation of the one radionuclide subsequent son to the beta decay of the 166 Dy that could produce the 166 Ho3+ liberation. The studies of Biodistribution in healthy mice demonstrated that the one complex 166 Dy/166 Ho DTPA-bis Biotin have a high renal distribution. In conclusion the radiolabelled biotin in this investigation has the appropriate properties to be used as an In vivo generator system stable for directed radiotherapy. (Author)

  8. Synthesis and surface-active property of bis-quaternary ammonium-sodium sulfate Gemini surfactant

    Institute of Scientific and Technical Information of China (English)

    Zhao Qiuling; Gao Zhinong

    2006-01-01

    N,N-dimethyldodecylamine,hydrochloride and epichlorohydrin (molar ration is 2:1:1) were used to synthesize bis-quaternary ammonium Gemini surfactant with a hydroxyl in its spacer group by the one-pot method.This hydroxyl was sulfonated by chlorosulfonic acid and then neutralized to bis-quaternary ammonium-sodium sulfate zwitterionic Gemini surfactant.The yield of the final product was 78%,and the melting point was 231-233℃.Its structure was characterized by IR,1H-NMR,MS,and elemental analyses.The critical micelle concentration (cmc)and surface tension of the novel zwitterionic Gemini surfactant in aqueous solution at 15℃ are 7.2×10-5 mol/L and 34.5 mN/m,respectively.

  9. Photovoltaic and photophysical properties of a novel bis-3-hexylthiophene substituted quinoxaline derivative

    Energy Technology Data Exchange (ETDEWEB)

    Guenes, Serap [Linz Institute for Organic Solar Cells (LIOS), Johannes Kepler University Linz, Physical Chemistry, Altenberger Strasse 69, A-4040 Linz (Austria); Yildiz Technical University, Faculty of Arts and Science, Department of Physics, Davutpasa Campus, 34210 Esenler, Istanbul (Turkey); Baran, Derya; Guenbas, Goerkem; Oezyurt, Funda; Toppare, Levent [Middle East Technical University, Faculty of Arts and Science, Department of Chemistry, 06531 Ankara (Turkey); Fuchsbauer, Anita; Sariciftci, Niyazi Serdar [Linz Institute for Organic Solar Cells (LIOS), Johannes Kepler University Linz, Physical Chemistry, Altenberger Strasse 69, A-4040 Linz (Austria)

    2008-09-15

    We report on the photophysical properties and photovoltaic performance of a polythiophene derivative, poly-2,3-bis(4-tert-butylphenyl)-5,8-bis(4-hexylthiophen-2-yl)quinoxaline (PHTQ) as an electron donor in bulk heterojunction solar cells blended with the acceptor 1-(3-methoxycarbonyl)propyl-1-phenyl-[6,6]-methanofullerene (PCBM). Devices were composed of PHTQ and varying amounts of PCBM (1:1, 1:2, 1:3, 1:4 w-w ratio). The components were spin cast from ortho-dichlorobenzene (ODCB) and characterized by measuring current-voltage characteristics under simulated AM 1.5 conditions. Efficiencies up to 0.3% have been reached. Incident photon to current efficiency (IPCE) is reported and the nanoscale morphology was investigated with atomic force microscopy (AFM). Photoinduced absorption spectroscopy confirms the photoinduced charge transfer in such donor acceptor blends. (author)

  10. Growth and characterization of pure and Ferrous sulphate doped Bis thiourea zinc chloride

    Directory of Open Access Journals (Sweden)

    Mrs.M.Jaya Brabha

    2015-10-01

    Full Text Available Non linear optical material has wide applications in the area of optical devices. That device mainly used to measure electromagnetic radiation. Single crystals of pure Bis thiourea Zinc chloride and Ferrous sulphate doped Bis thiourea Zinc chloride were grown by slow evaporation technique. The grown crystals have been subjected to powder X-ray diffraction to determine the crystalline size and unit cell parameter. The incorporation of ferrous sulphate in BTZC was confirmed by the EDAX and FTIR analysis. UV-Visible spectrum shows that the grown crystals have wide optical transparency in the entire visible region. The thermo gravimetric analysis suggests that incorporation of ferrous sulphate in the BTZC decreases the thermal stability of the grown crystal.

  11. Inclusion complexation behavior of dyestuff guest molecules by a bridged bis(cyclomaltoheptaose)[bis(beta-cyclodextrin)] with a pyromellitic acid diamide tether.

    Science.gov (United States)

    Liu, Yu; Li, Li; Zhang, Heng-Yi; Liang, Peng; Wang, Hao

    2003-08-12

    A novel bridged bis(beta-cyclodextrin) with a pyromellitic acid 2,5-diamide tether (2) has been synthesized by reaction of 6(I)-(2-aminoethyleneamino)-6-deoxycyclomaltoheptaose [mono 6-(2-aminoethyleneamino)-6-deoxy-beta-cyclodextrin] with 1,2,4,5-benzenetetracarboxylic dianhydride. Its inclusion complexation behavior with some representative dyestuffs, i.e., Acridine Red (AR), Rhodamine B (RhB), Neutral Red (NR), Brilliant Green (BG), was studied by using UV-absorption, fluorescence, and 2D NMR spectroscopy. Fluorescence titrations have been performed at 25 degrees C in pH 7.2 buffer solution to calculate the binding constants of resulting complexes. These results obtained indicated that bis(beta-cyclodextrin) 2 exhibits the strongly enhanced binding ability with all dye molecules examined compared with natural cyclodextrins. The binding modes of 2 with dye molecules have been deduced by 2D NMR experiments to establish the correlations between molecular conformations and binding constants of inclusion complexation. It is found that the improved binding ability and molecular selectivity of 2 could be attributed to double-cavity cooperative inclusion interaction and the size/shape matching between the host and guest.

  12. [N,N′-Bis(2,6-diisopropylphenylmethanimidamidato][η8-1,4-bis(trimethylsilylcyclooctatetraenyl](tetrahydrofuransamarium(III toluene monosolvate

    Directory of Open Access Journals (Sweden)

    Anja Edelmann

    2010-12-01

    Full Text Available The title compound, [Sm(C25H35N2(C14H24Si2(C4H8O]·C7H8, was prepared by treatment of anhydrous samarium trichloride with a 1:1 mixture of in situ-prepared Li(DippForm [DippFormH = N,N′-bis(2,6-diisopropylphenylmethanimidamide] and Li2(COT′′ [COT′′ = 1,4-bis(trimethylsilylcyclooctatetraenyl] in tetrahydrofuran (THF. Despite the presence of two very bulky ligands (COT′′ and DippForm, the molecule still contains one coordinated THF ligand. The overall coordination geometry around the SmIII atom resembles a three-legged piano-stool with the COT′′ ligand being η8-coordinated and the DippForm− anion acting as an N,N′-chelating ligand [Sm—N = 2.5555 (15 and 2.4699 (15 Å]. The asymmetric unit also contains a disordered molecule of toluene, the refined ratio of the two components being 0.80 (4:0.20 (4.

  13. Impregnation of chelating agent 3,3-bis-N,N bis-(carboxymethylaminomethyl-o-cresolsulfonephthalein in biopolymer chitosan: adsorption equilibrium of Cu(II in aqueous medium

    Directory of Open Access Journals (Sweden)

    Luciano Vitali

    2006-06-01

    Full Text Available The aim of this study was to impregnate the chelating agent 3,3-bis-N,N,bis-(carboxymethylaminomethyl-o-cresolsulfonephthalein in chitosan and to investigate the adsorption of Cu(II ions. The chemical modification was confirmed by FTIR spectrometry, thermogravimetric analysis (TGA and energy dispersive x-ray spectroscopy (EDX. The adsorption studies were carried out with Cu(II ions in a batch process and were shown to be dependent on pH. The adsorption kinetics was tested using three models: pseudo first-order, pseudo second order and intraparticle diffusion. The experimental kinetics data were best fitted with the pseudo second-order model (R² = 0.999, which provided a rate constant, k2, of 1.21 x 10-3 g mg-1 min-1. The adsorption rate depended on the concentration of Cu(II ions on the adsorbent surface and on the quantity of Cu(II ions adsorbed at equilibrium. The Langmuir isotherm model provided the best fit for the equilibrium data in the concentration range investigated, with the maximum adsorption capacity being 81.0 mg of Cu(II per gram of adsorbent, as obtained from the linear equation of the isotherm. Desorption tests revealed that around 90% of the adsorbed metal was removed, using EDTA solution as the eluent. This result suggests that the polymeric matrix can be reused.

  14. Microwave irradiated synthesis and characterization of 1, 4-phenylene bis-oxazoline form bis-(2-hydroxyethyl terephthalamide obtained by depolymerization of poly (ethylene terephthalate (PET bottle wastes

    Directory of Open Access Journals (Sweden)

    Yogesh S. Parab

    2012-04-01

    Full Text Available The aminolytic depolymerization of PET bottle waste with ethanolamine by conventional heating and microwave irradiation heating method was attempted with heterogeneous, recyclable acid catalysts such as beta zeolite (SiO2/ AlO2= 15 Na- form and montmorillonite KSF. The pure product bis-(2-hydroxyethyl terephthalamide (BHETA of aminolysis was obtained in good yield (85- 88%. The BHETA, thus obtained, was subjected to cyclization reaction by heating with polyphosphoric acid as well as by chlorination (using phosphoryl chloride, bromination (using red phosphorous and liquid bromine and nitration (conc. HNO3 + conc. H2SO4 followed by conventional and microwave irradiation heating in N,N- dimethyl formamide/ potassium carbonate solution. The product so obtained was 2, 2’-(1,4-phenylene–bis-(2-oxazoline (PBO, which has applications in polymer synthesis as a chain extender/ chain coupling agent or a cross linker. The productswere analyzed by FTIR, DSC, Mass and NMR (1H and 13C NMR.

  15. THERMOREACTIVE OLIGOMERS FROM HEXAMETHYLENE-bis-MALEIMIDE and 5,5’- bis-BENZOTRIAZOLES, AND GLUED JOINTS ON BASE OF THEM

    Directory of Open Access Journals (Sweden)

    Farion I. A.

    2015-12-01

    Full Text Available A number of thermoreactive oligomers was obtained via the Michael interaction of molar excesses of hexamethylene-bis-maleimide with 5,5’-bisbenzotriazoles in melt. The structure of them was proved by the 13C spectroscopy method. The one-step synthesis in melt, without by-products evolution, in absence of organic solvents, additional reagents, and catalysts is the more acceptable in point of view of technology (a finished reaction product does not require any purification. The process itself is the nucleophile addition across double bond, and so it can be attributed to the atom-saving technologies. According to data of the dynamic scanning calorimetry (DSC and the thermogravimetry (TG, oligomers fuse at 130.8–135.6 °С, cross-link at 185–250 °С, and begin their thermal destruction in air at temperatures of 400– 420 °С. The tensile strength at shear of the glued joints on base of oligomers (steel plates overlapped is 14.2– 23.7 MPa (142–237 kgf/cm2 . The positive effect from the introduce of 5,5’-bis-benzotriazolyl fragments into structure of bismaleimide thermoreactive oligomers on strength of the glued joints between metal plates was revealed

  16. The transnational ne bis in idem principle in the EU. Mutual recognition and equivalent protection of human rights

    Directory of Open Access Journals (Sweden)

    John A.E. Vervaele

    2005-12-01

    Full Text Available The deepening and widening of European integration has led to an increase in transborder crime. Concurrent prosecution and sanctioning by several Member States is not only a problem in inter-state relations and an obstacle in the European integration process, but also a violation of the ne bis in idem principle, defined as a transnational human right in a common judicial area. This article analyzes whether and to what extent the ECHR has contributed and may continue to contribute to the development of such a common ne bis in idem standard in Europe. It is also examined whether the application of the ne bis in idem principle in classic inter-state judicial cooperation in criminal matters in the framework of the Council of Europe may make such a contribution as well. The transnational function of the ne bis in idem principle is discussed in the light of the Court of Justice’s case law on ne bis in idem in the framework of the area of Freedom, Security and Justice. Finally the inherent tension between mutual recognition and the protection of human rights in transnational justice is analyzed by looking at the insertion of the ne bis in idem principle in the Framework Decision on the European arrest warrant.

  17. Investigation of Ultrathin Layers of Bis(phthalocyaninato)lutetium(III) on Graphite

    OpenAIRE

    Smykalla, Lars; Shukrynau, Pavel; Hietschold, Michael

    2013-01-01

    We present a comprehensive study of the adsorption of bis(phthalocyaninato)lutetium(III) (LuPc$_2$) on highly oriented pyrolytic graphite(0001) (HOPG). The growth and self-assembly of the molecular layers as well as the electronic structure has been investigated systematically using scanning tunnelling microscopy and scanning tunnelling spectroscopy combined with density functional theory (DFT) calculations and molecular mechanics simulations. We reveal that the adsorption of LuPc$_2$ leads t...

  18. Unternehmensgründungen in der Biotechnologie in Deutschland 1991 bis 2004

    OpenAIRE

    Rammer, Christian; Ohmstedt, Jörg; Binz, Hanna L.; Heneric, Oliver

    2006-01-01

    Die vorliegende Dokumentation stellt die Ergebnisse eines Forschungsprojekts dar, das mit Hilfe eines neuen Ansatzes empirische Aussagen zur Struktur und Entwicklung von Unternehmensgründungen in der Biotechnologie in Deutschland zu gewinnen versucht hat. Mit Hilfe einer halbautomatisierten Textanalyse von Geschäftstätigkeitsbeschreibungen sollten Biotechnologie-Gründungen der Jahre 1991 bis 2004 identifiziert und anhand einer Reihe von Kennzahlen, die aus bereits vorliegenden Datenquellen ge...

  19. Unusual rearrangement in the photochemical addition of bis(alkylidene)disilacyclobutanes to C[sub 60

    Energy Technology Data Exchange (ETDEWEB)

    Kusukawa, Takahiro; Kabe, Yoshio; Erata, Tomoki; Nestler, B.; Ando, Wataru (Univ. of Tsukuba (Japan))

    1994-11-01

    The photochemical reaction of bis(alkylidene)-disilacyclobutanes 1a, b with C[sub 60] afforded the stable 1:1 adducts 3a,b, resulting from an unexpected rearrangement of the disilacyclobutane unit. The structures of 3a,b were determined by spectroscopic methods, including [sup 29]Si-[sup 1]H HMBC hetero nuclear shift correlation experiments. 18 refs., 2 figs.

  20. SYNTHESIS OF TERMINAL EPOXY FUNCTIONAL SILOXANES FOR MODIFICATION OF DIGLYCIDYL ETHER OF BIS-PHENOL A

    OpenAIRE

    Jenish Paul*,; A. Benny Cherian,

    2015-01-01

    In this study, terminal epoxy functional poly dimethyl siloxanes (TEF PDMS) were synthesized by the hydrosilylation reaction of terminal silyl hydride functional with allyl glycidyl ether. The hydrosilylation reaction was characterized by FTIR and NMR. Samples of modified and unmodified PDMS were blended with commercial epoxy resin, diglycidyl ether of bis-phenol A (DGEBA), at various ratios using a polyamine as curing agent. Their damping and thermal properties were studied by DM...

  1. Investigation of some novel ligands of pyruvaldehyde bis(thiosemicarbazone) as pet radiopharmaceuticals

    International Nuclear Information System (INIS)

    Three novel ligands of pyruvaldehyde bis (thiosemicarbazone) have been synthesized. These ligands are labelled with 64Cu. The factors that affect labelling yield are also investigated. The biodistribution of three 64Cu ligand complexes in mice are determined. The higher brain uptake with a prolonged retention time is found in case of 64Cu-PTSP. The results suggested that 62Cu-PTSP may be used as a PET tracer for cerebral perfusion and it needs more research

  2. Novel Compound 1, 3-bis (3, 5-dichlorophenyl) urea Inhibits Lung Cancer Progression

    OpenAIRE

    Sharad S. Singhal; Figarola, James; Singhal, Jyotsana; Nagaprashantha, Lokesh; Rahbar, Samuel; Awasthi, Sanjay

    2013-01-01

    The successful clinical management of lung cancer is limited by frequent loss-of-function mutations in p53 which cooperates with chronic oxidant-stress induced adaptations in mercapturic acid pathway (MAP) which in turn regulates critical intracellular signaling cascades that determine therapeutic refractoriness. Hence, we investigated the anti-cancer effects and mechanisms of action of a novel compound called 1, 3 bis (3, 5-dichlorophenyl) urea (COH-SR4) in lung cancer. Treatment with COH-SR...

  3. Increased Diversity of Libraries from Libraries: Chemoinformatic Analysis of Bis-Diazacyclic Libraries

    OpenAIRE

    López-Vallejo, Fabian; Nefzi, Adel; Bender, Andreas; Owen, John R.; Nabney, Ian T.; Houghten, Richard A.; Medina-Franco, Jose L.

    2011-01-01

    Combinatorial libraries continue to play a key role in drug discovery. To increase structural diversity, several experimental methods have been developed. However, limited efforts have been performed so far to quantify the diversity of the broadly used diversity-oriented synthetic (DOS) libraries. Herein we report a comprehensive characterization of 15 bis-diazacyclic combinatorial libraries obtained through libraries from libraries, which is a DOS approach. Using MACCS keys, radial and diffe...

  4. Fusion and planarization of bisBODIPY: a new family of photostable near infrared dyes.

    Science.gov (United States)

    Yu, Changjiang; Jiao, Lijuan; Li, Tingting; Wu, Qinghua; Miao, Wei; Wang, Jun; Wei, Yun; Mu, Xiaolong; Hao, Erhong

    2015-12-01

    We have synthesized a new family of directly-fused bisBODIPY BBP 1 through a key FeCl3-mediated intramolecular oxidative cyclodehydrogenation reaction and its derivatives 2 and 3 from the Knoevenagel reaction. These dyes display effective expansion of π-conjugation over the two BODIPYs due to their locked coplanar conformation, showing intriguing electrochemical and spectroscopic properties, such as intensive absorption/emission bands ranging from 676 to 877 nm and high photostability. PMID:26437694

  5. Modeling the vibrational spectrum of 4,4'-diphenylmethane- bis(methyl)carbamate

    Science.gov (United States)

    Shundalau, M. B.; Pitsevich, G. A.; Ksenofontov, M. A.; Umreiko, D. S.

    2010-07-01

    We present results of ab initio calculations of the structure and vibrational IR spectrum for 4,4'-diphenylmethane-bis(methyl)carbamate (DPMC). Calculations were carried out in the HF/6-311G approximation with subsequent force-field scaling. The calculated characteristics of the vibrational spectrum of DPMC show satisfactory agreement with experimental values, which permits them to be used in spectral and structural analysis

  6. Untersuchungen zur Dynamik niedermolekularer Flüssigkeiten, von der Glasphase bis zum Siedepunkt

    OpenAIRE

    Wiebel, Sabine

    2007-01-01

    Es werden verschiedene Experimente, die sich mit der Dynamik von molekularen Flüssigkeiten im normalflüssigen und unterkühlten Bereich beschäftigen, vorgestellt. Als Untersuchungsmethodne werden Licht- und Neutronenstreuung und zeitaufgelöste optische Spektroskopie herangezogen. An mehreren Beispielen wird demonstriert, wie sich das Verhalten im GHz- bis THz-Bereich im Rahmen der Modenkopplungstheorie beschreiben lässt, und zwar sowohl durch die asymptotischen Gesetze als auch durch ein einfa...

  7. Spontaneous resolution of a bis(eta(1)-methylcyclopentadienyl)zinc complex

    DEFF Research Database (Denmark)

    Olsson, S.; Lennartson, A.

    2011-01-01

    Two crystalline complexes of bis(eta(1)-methylcyclopentadienyl)zinc, [Zn(C5H4Me)(2)(py)(2)] (1), where py is pyridine, and [Zn(C5H4Me)(2)(teeda)], 2, where teeda is N,N,N',N'-tetraethylethylenediamine have been isolated. The crystal structures of 1 and 2 are the first crystal structures for Zn(C5...

  8. Maternal BIS Sensitivity, Overprotective Parenting, and Children’s Internalizing Behaviors

    OpenAIRE

    Kiel, Elizabeth J.; Maack, Danielle J.

    2012-01-01

    Although sensitivity to the Behavioral Inhibition System within Gray’s (1970) reinforcement sensitivity theory relates to individuals’ own depressive and anxious symptomatology, less is known about how parental BIS sensitivity relates to early indicators of internalizing problems in young children. Moreover, the extent to which this parental characteristic relates to parenting behavior, and children’s internalizing problems above and beyond parenting, remains unknown. The current study assess...

  9. High pressure electrical resistivity study on nonlinear bis thiourea cadmium chloride (BTCC) single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Ariponnammal, S.; Radhika, S. [Department of Physics, Gandhigram Rural Institute, Deemed University, Gandhigram - 624 302, Dindigul District, Tamil Nadu (India); Selva Vennila, R. [Department of Physics, Anna University, Chennai - 600 025 (India); Arumugam, S. [Department of Physics, Bharathidasan University, Trichy (India)

    2005-09-01

    The Bis Thiourea Cadmium Chloride (BTCC) crystals have been crystallized by slow evaporation technique. The lattice parameters of the grown crystals have been determined by the Energy dispersive x-ray diffraction technique (EDXRD) and the structure has been confirmed. The high pressure electrical resistivity study have been carried out on this crystal and the results have been reported here. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  10. Investigation of Binary Mixtures Containing 1-Ethyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)azanide and Ethylene Carbonate

    OpenAIRE

    Hofmann, A.; Migeot, M.; Hanemann, T.

    2016-01-01

    Temperature dependent viscosity, conductivity, and density data of binary mixtures containing ethylene carbonate (EC) and 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)azanide (EMIM-TFSA) were determined at atmospheric pressure in a wide temperature range of (20 to 120) °C. Additionally, differential scanning calorimetry (DSC) measurements were performed from (−120 to +100) °C to characterize phase behavior of the mixtures. On the basis of the experimental data it is demonstrated t...

  11. Methanofullerene-Based Palladium Bis(amino)aryl Complexes and Applications in Lewis Acid Catalysis

    NARCIS (Netherlands)

    Koten, G. van; Meijer, M.D.; Ronde, N.; Vogt, D.; Klink, G.P.M. van

    2001-01-01

    Synthetic routes have been developed for the attachment of palladium(II) bis(amino)aryl (NCN or C6H2{CH2NMe2}2-2,6)- complexes to C60. Using diazo and Bingel addition reactions, various methanofullerene NCN-SiMe3 compounds (C60-L-NCN-SiMe3, L = C(Me), C(CO2Et)CO2CH2, and C(Me)C6H4CC) have been prepa

  12. 1,1′-{(Hexane-1,6-diylbis[(azaniumylylidenemethanylylidene]}bis(naphthalen-2-olate

    Directory of Open Access Journals (Sweden)

    Kamel Ouari

    2015-01-01

    Full Text Available The whole molecule of the title Schiff base compound, C28H28N2O2, is generated by inversion symmetry. It is formed from two units of ortho-hydroxynaphthaldehyde bridged with 1,6-diaminohexane. The N atoms are protonated and, thus, the structure is a bis-zwitterionic compound in the solid state. The zwitterion shows strong intramolecular N—H...O hydrogen bonds between the iminium N and the naphthalenolate O atoms.

  13. Theoretical study on second-order nonlinear optical properties of unsymmetric bis (phenylethynyl) benzene series derivatives

    Institute of Scientific and Technical Information of China (English)

    FU, Wei; FENG, Ji-Kang; YU, Kun-Qian; REN, Ai-Min; CUI, Meng

    2000-01-01

    On the basis of Z1NDO methods, according to the sum-overstates (SOS) expression, the progran for the calculation of the second-order nonlinear optical susceptibilities βuk and βμ ofmolecules was devised, and the structures and nonlinear optical properties of unsymmetric bis (phenylethynyl) benzene series derivatives were studied. The influence of the molecular conjugated chain lengths, the donor and the acceptor on βμwas examined.

  14. Competitive solvation of (bis)(trifluoromethanesulfonyl)imide anion by acetonitrile and water

    DEFF Research Database (Denmark)

    Chaban, Vitaly

    2014-01-01

    Competitive solvation of an ion by two or more solvents is one of the key phenomena determining the identity of our world. Solvation in polar solvents frequently originates from non-additive non-covalent interactions. Pre-parametrized potentials poorly capture these interactions, unless the force...... and temperature coupling. Using a competitive solvation of (bis)(trifluoromethanesulfonyl)imide anion in acetonitrile and water, the work demonstrates efficiency and robustness of PM7-MD. (C) 2014 Elsevier B.V. All rights reserved....

  15. 4,4’-Bis(4-octylphenoxy-2,2’-bipyridine

    Directory of Open Access Journals (Sweden)

    Zhen-Ting Du

    2009-12-01

    Full Text Available 4,4’-Bis(4-octylphenoxy-2,2’-bipyridine which can be used in complexes of ruthenium was synthesized. This ligand bears a long chain for the purpose of increasing the solubility of the final complex. The synthesis was achieved through a nucleophilic aromatic substitution reaction of 4,4’-bromo-2,2’-bipyridine and 4-octylphenol.

  16. 4,4’-Bis(4-octylphenoxy)-2,2’-bipyridine

    OpenAIRE

    Zhen-Ting Du; Jun-Ru Wang; Ru Liu; Yan Xu

    2009-01-01

    4,4’-Bis(4-octylphenoxy)-2,2’-bipyridine which can be used in complexes of ruthenium was synthesized. This ligand bears a long chain for the purpose of increasing the solubility of the final complex. The synthesis was achieved through a nucleophilic aromatic substitution reaction of 4,4’-bromo-2,2’-bipyridine and 4-octylphenol.

  17. On the effect of N-methyl-bis (3-mesyloxypropyl) amine hydroxychloride on Bacillus subtilis cells.

    Science.gov (United States)

    Shimi, I R; Shoukry, S

    1975-06-01

    N-Methyl-bis (3-mesyloxypropyl)amine hydrochloride is now in use as an antitumer drug. In view of its activity against some bacteria the present work was conducted to study its mode of action of Bacillus subtilis. The compound was found to induce irreversible damage to bacterial DNA whereas its effect on RNA was temporary and depending on maintenance of effective concentrations of the compound. PMID:168172

  18. Homogeneous isotope exchange between thiourea and bis (thiourea) mercury (II) complex

    International Nuclear Information System (INIS)

    The isotope exchange behavior of thiourea with bis (thiourea) mercury (II) complex has been studied. The concentrations of both the metal ion and the complex were varied. The results show that the complex is labile in the kinetic sense. An increase in concentration increases the rate of exchange. Increase in temperature also results in an increase of the late of exchange. (author). 7 refs., 3 tabs

  19. Report of the Working Group on the BIS International Banking Statistics

    OpenAIRE

    Bank for International Settlements

    2000-01-01

    Summary Over the years, the Committee on the Global Financial System has been the designated central bank oversight body for the BIS international banking statistics. A guiding presumption of the Committee is that the statistics should be updated from time to time so as to ensure that they remain a key source of public information on international financial market developments. As a result, the Committee has supported initiatives such as the triennial survey of global derivatives markets (fir...

  20. Enantioselective Hydrolysis of Amino Acid Esters Promoted by Bis(β-cyclodextrin) Copper Complexes

    Science.gov (United States)

    Xue, Shan-Shan; Zhao, Meng; Ke, Zhuo-Feng; Cheng, Bei-Chen; Su, Hua; Cao, Qian; Cao, Zhen-Kun; Wang, Jun; Ji, Liang-Nian; Mao, Zong-Wan

    2016-02-01

    It is challenging to create artificial catalysts that approach enzymes with regard to catalytic efficiency and selectivity. The enantioselective catalysis ranks the privileged characteristic of enzymatic transformations. Here, we report two pyridine-linked bis(β-cyclodextrin) (bisCD) copper(II) complexes that enantioselectively hydrolyse chiral esters. Hydrolytic kinetic resolution of three pairs of amino acid ester enantiomers (S1–S3) at neutral pH indicated that the “back-to-back” bisCD complex CuL1 favoured higher catalytic efficiency and more pronounced enantioselectivity than the “face-to-face” complex CuL2. The best enantioselectivity was observed for N-Boc-phenylalanine 4-nitrophenyl ester (S2) enantiomers promoted by CuL1, which exhibited an enantiomer selectivity of 15.7. We observed preferential hydrolysis of L-S2 by CuL1, even in racemic S2, through chiral high-performance liquid chromatography (HPLC). We demonstrated that the enantioselective hydrolysis was related to the cooperative roles of the intramolecular flanking chiral CD cavities with the coordinated copper ion, according to the results of electrospray ionization mass spectrometry (ESI-MS), inhibition experiments, rotating-frame nuclear Overhauser effect spectroscopy (ROESY), and theoretical calculations. Although the catalytic parameters lag behind the level of enzymatic transformation, this study confirms the cooperative effect of the first and second coordination spheres of artificial catalysts in enantioselectivity and provides hints that may guide future explorations of enzyme mimics.

  1. The development of radiogallium-acetylacetonate bis(thiosemicarbazone) complex for tumour imaging

    International Nuclear Information System (INIS)

    Background: Various radiometal complexes have been developed for tumour imaging, especially Ga-68 tracer. In this work, the development of a radiogallium bis(thiosemicarbazone) complex has been reported. Material and method: [67Ga]acetylacetonate bis(thio-semicarbazone) complex ([67Ga]AATS) was prepared starting with [67Ga]Gallium acetate and freshly prepared acetylacetonate bis(thiosemicarbazone) (AATS) for 30 min at 90oC. The partition co-efficient and stability of the tracer was determined in final solution (25oC) and the presence of human serum (37oC) for up to 24 hours. The biodistribution of the labelled compound in wild-type and fibrosarcoma-bearing rodents were determined for up to 72 hours. Results: The radiolabelled Ga complex was prepared to a high radiochemical purity (> 97%, HPLC) followed by initial biodistribution data with the significant tumour accumulation of the tracer at two hours, which is far higher than free Ga-67 cation, while the compound wash-out is significantly faster. Conclusion: The above-mentioned pharmacokinetic properties suggest an interesting radiogallium complex prepared by the PET Ga radioisotope, 68Ga, in accordance with the physical half life, for use in fibrosarcoma tumours and possibly in other malignancies. (authors)

  2. openBIS: a flexible framework for managing and analyzing complex data in biology research

    Directory of Open Access Journals (Sweden)

    Bauch Angela

    2011-12-01

    Full Text Available Abstract Background Modern data generation techniques used in distributed systems biology research projects often create datasets of enormous size and diversity. We argue that in order to overcome the challenge of managing those large quantitative datasets and maximise the biological information extracted from them, a sound information system is required. Ease of integration with data analysis pipelines and other computational tools is a key requirement for it. Results We have developed openBIS, an open source software framework for constructing user-friendly, scalable and powerful information systems for data and metadata acquired in biological experiments. openBIS enables users to collect, integrate, share, publish data and to connect to data processing pipelines. This framework can be extended and has been customized for different data types acquired by a range of technologies. Conclusions openBIS is currently being used by several SystemsX.ch and EU projects applying mass spectrometric measurements of metabolites and proteins, High Content Screening, or Next Generation Sequencing technologies. The attributes that make it interesting to a large research community involved in systems biology projects include versatility, simplicity in deployment, scalability to very large data, flexibility to handle any biological data type and extensibility to the needs of any research domain.

  3. Synthesis and Biological Evaluation of 2,5-Bis(alkylamino-1,4-benzoquinones

    Directory of Open Access Journals (Sweden)

    Cláudia Pessoa

    2010-08-01

    Full Text Available A series of twelve 2,5-bis(alkylamino-1,4-benzoquinones were prepared in yields ranging from 9–58% via the reaction between p-benzoquinone and various amines. The structures of the synthesized compounds were confirmed by IR, 1H- and 13C-NMR and MS analyses. The phytotoxicity of the 2,5-bis(alkylamino-1,4-benzoquinones was evaluated against two crop species, Cucumis sativus and Sorgum bicolor, at 1.0 × 10-3 mol/L. In general, the quinones displayed inhibitory effects on the dicotyledonous species C. sativus (7–74%. On the other hand stimulatory effects were observed on S. bicolor (monocotyledonous. Similar results were observed in the biological assays carried out with the weed species Ipomoea grandifolia (dicotyledonous and Brachiaria decumbens (monocotyledonous. In addition, the cytotoxicity of the 2,5-bis(alkylamino-1,4-benzoquinones was assayed against HL-60 (leukemia, MDA-MB-435 (melanoma, SF-295 (brain and HCT-8 (colon human cancer cell lines and human peripheral blood mononuclear cells (PBMC, as representatives of healthy cells, using a MTT and an Alamar Blue assay. Compound 12 was the most active, displaying cytotoxicity against all cancer cell lines tested.

  4. Computer-Aided Molecular Design of Bis-phosphine Oxide Lanthanide Extractants.

    Science.gov (United States)

    McCann, Billy W; Silva, Nuwan De; Windus, Theresa L; Gordon, Mark S; Moyer, Bruce A; Bryantsev, Vyacheslav S; Hay, Benjamin P

    2016-06-20

    Computer-aided molecular design and high-throughput screening of viable host architectures can significantly reduce the efforts in the design of novel ligands for efficient extraction of rare earth elements. This paper presents a computational approach to the deliberate design of bis-phosphine oxide host architectures that are structurally organized for complexation of trivalent lanthanides. Molecule building software, HostDesigner, was interfaced with molecular mechanics software, PCModel, providing a tool for generating and screening millions of potential R2(O)P-link-P(O)R2 ligand geometries. The molecular mechanics ranking of ligand structures is consistent with both the solution-phase free energies of complexation obtained with density functional theory and the performance of known bis-phosphine oxide extractants. For the case where the link is -CH2-, evaluation of the ligand geometry provides the first characterization of a steric origin for the "anomalous aryl strengthening" effect. The design approach has identified a number of novel bis-phosphine oxide ligands that are better organized for lanthanide complexation than previously studied examples.

  5. Photophysical and computational investigations of bis(phosphine) organoplatinum(II) metallacycles.

    Science.gov (United States)

    Pollock, J Bryant; Cook, Timothy R; Stang, Peter J

    2012-06-27

    A series of endohedral and exohedral amine-functionalized ligands were synthesized and used in the construction of supramolecular D(2h) rhomboids and a D(6h) hexagon. These supramolecular polygons were obtained via self-assembly of 120° dipyridyl donors with 180° or 120° diplatinum precursors when combined in 1:1 ratios. Steady-state absorption and emission spectra were collected for each ligand and metallacycle. Density functional theory (DFT) and time-dependent DFT calculations were employed to probe the nature of the observed optical transitions for the rhomboids. The emissive properties of these bis(phosphine) organoplatinum metallacycles arise from ligand-centered transitions involving π-type molecular orbitals with modest contributions from metal-based atomic orbitals. The D(2h) rhomboid self-assembled from 2,6-bis(4-pyridylethynyl)aniline and a 60° organoplatinum(II) acceptor has a low-energy excited state in the visible region and emits above 500 nm, properties which greatly differ from those of the parent 2,6-bis(4-pyridylethynyl)aniline ligand. PMID:22691193

  6. Enantioselective Hydrolysis of Amino Acid Esters Promoted by Bis(β-cyclodextrin) Copper Complexes.

    Science.gov (United States)

    Xue, Shan-Shan; Zhao, Meng; Ke, Zhuo-Feng; Cheng, Bei-Chen; Su, Hua; Cao, Qian; Cao, Zhen-Kun; Wang, Jun; Ji, Liang-Nian; Mao, Zong-Wan

    2016-02-26

    It is challenging to create artificial catalysts that approach enzymes with regard to catalytic efficiency and selectivity. The enantioselective catalysis ranks the privileged characteristic of enzymatic transformations. Here, we report two pyridine-linked bis(β-cyclodextrin) (bisCD) copper(II) complexes that enantioselectively hydrolyse chiral esters. Hydrolytic kinetic resolution of three pairs of amino acid ester enantiomers (S1-S3) at neutral pH indicated that the "back-to-back" bisCD complex CuL(1) favoured higher catalytic efficiency and more pronounced enantioselectivity than the "face-to-face" complex CuL(2). The best enantioselectivity was observed for N-Boc-phenylalanine 4-nitrophenyl ester (S2) enantiomers promoted by CuL(1), which exhibited an enantiomer selectivity of 15.7. We observed preferential hydrolysis of L-S2 by CuL(1), even in racemic S2, through chiral high-performance liquid chromatography (HPLC). We demonstrated that the enantioselective hydrolysis was related to the cooperative roles of the intramolecular flanking chiral CD cavities with the coordinated copper ion, according to the results of electrospray ionization mass spectrometry (ESI-MS), inhibition experiments, rotating-frame nuclear Overhauser effect spectroscopy (ROESY), and theoretical calculations. Although the catalytic parameters lag behind the level of enzymatic transformation, this study confirms the cooperative effect of the first and second coordination spheres of artificial catalysts in enantioselectivity and provides hints that may guide future explorations of enzyme mimics.

  7. Computer-Aided Molecular Design of Bis-phosphine Oxide Lanthanide Extractants.

    Science.gov (United States)

    McCann, Billy W; Silva, Nuwan De; Windus, Theresa L; Gordon, Mark S; Moyer, Bruce A; Bryantsev, Vyacheslav S; Hay, Benjamin P

    2016-06-20

    Computer-aided molecular design and high-throughput screening of viable host architectures can significantly reduce the efforts in the design of novel ligands for efficient extraction of rare earth elements. This paper presents a computational approach to the deliberate design of bis-phosphine oxide host architectures that are structurally organized for complexation of trivalent lanthanides. Molecule building software, HostDesigner, was interfaced with molecular mechanics software, PCModel, providing a tool for generating and screening millions of potential R2(O)P-link-P(O)R2 ligand geometries. The molecular mechanics ranking of ligand structures is consistent with both the solution-phase free energies of complexation obtained with density functional theory and the performance of known bis-phosphine oxide extractants. For the case where the link is -CH2-, evaluation of the ligand geometry provides the first characterization of a steric origin for the "anomalous aryl strengthening" effect. The design approach has identified a number of novel bis-phosphine oxide ligands that are better organized for lanthanide complexation than previously studied examples. PMID:26883005

  8. catena-Poly[[bis(dicyanamido-κN1cobalt(II]bis{μ-1,2-bis[(1,2,4-triazol-1-ylmethyl]benzene-κ2N4:N4′}

    Directory of Open Access Journals (Sweden)

    Jixia Zhang

    2014-07-01

    Full Text Available In the title complex, [Co(C2N32(C12H12N62]n the CoII atom lies on a centre of symmetry and displays a slightly distorted octahedral coordination geometry. The 1,2-bis[(1,2,4-triazol-1-ylmethyl]benzene ligands link adjacent metal atoms into polymeric chains parallel to the c axis, forming centrosymmetric 26-membered metallamacrocycles. The conformation of the metallamacrocycles is stabilized by pairs of C—H...N hydrogen bonds. The dihedral angles formed by the planes of the triazole rings with those of the benzene ring are 79.4 (2 and 79.1 (2°. In the crystal, the chains interact through C—H...N hydrogen bonds, forming a three-dimensional network.

  9. On the heterogeneous structure of thermally cured bis-GMA/TEGDMA resins.

    Science.gov (United States)

    Jancar, J; Wang, W; DiBenedetto, A T

    2000-11-01

    In this paper we report on the morphogenesis of dental resins formed by a thermally initiated radical cross-linking copolymerization of model dental resins. These systems were considered reasonable model simplifications of the actual resins used in commercial filling composites, veneers, etc. Effect of bis-GMA content varying from 0 to 100% on the degree of conversion and morphology of the cured resin was investigated. Dynamic scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FTIR), dynamic mechanical thermal analysis (DMTA) and high temperature solvent extraction experiments were performed in order to determine the nature and location of unreacted unsaturations in relation to bis-GMA concentration. The interval of cure temperatures, ranging from 23 to 250 degrees C, may seem irrelevant from the clinical point of view but is instrumental for an understanding of the processes involved. Single glass transition temperature (Tg) found in DMTA experiments showed that the copolymerization process between bis-GMA and TEGDMA is random in nature, however, the overall cure reaction is inhomogeneous and this inhomogeneity is increasing with increasing bis-GMA molar fraction. Heterogeneous character of the cure was reflected into the network morphogenesis characterized by microgellation preceded by cyclization and, following connection of microgels. These cure kinetics resulted in a heterogeneous morphology of the cured resin. Moreover, it was shown that the cure kinetics controls to a great extent the degree of conversion of the reactive vinylidene C=C bonds in a fully cured resin. A decrease in bis-GMA concentration in the resin mixture led to a higher degree of conversion, however, even a neat TEGDMA homopolymer did not exhibit C=C conversion greater than 65-70% under the cure conditions used. Leaching out tests, consisting of an extraction of unreacted monomer from a finely ground cured resin in boiling cyclohexanone at 160 degrees C over a period of 5 d

  10. A green method for the synthesis of bis-indolylmethanes and 3,3 -indolyloxindole derivatives using cellulose sulfuric acid under solvent-free conditions

    Institute of Scientific and Technical Information of China (English)

    Heshmatollah; Alinezhad; Asefeh; Hagh; Haghighi; Fatemeh; Salehian

    2010-01-01

    A highly efficient green protocol for the preparation of bis-indolylmethanes,bis-2-methylindolylmethanes,bis-1-methylindolylmethanes and 3,3'-diindolyloxindole derivatives from the reaction of indoles with various aldehydes and ketones in the presence of cellulose sulfuric acid under solvent-free conditions is reported.The significant features of this procedure are high yields of the products,mild reaction,solvent-free condition and non-toxicity of the catalyst.

  11. Poly[[[diisothiocyanatocobalt(II]-bis[μ-4-tert-butyl-2,6-bis(1,2,4-triazol-1-ylmethylphenol

    Directory of Open Access Journals (Sweden)

    2009-03-01

    Full Text Available In the title compound, {[Co(NCS2(C16H20N6O2]·2C3H7NO·2H2O}n, each CoII ion located on an inversion center is six-coordinated by four equatorial N atoms from four different 4-tert-butyl-2,6-bis(1,2,4-triazol-1-ylmethylphenol (L ligands, and by two N atoms from two axial thiocyanate anions [Co—N = 2.104 (3–2.144 (3 Å]. The metal centres are connected via the bidentate L ligands into two-dimensional polymeric layers parallel to bc plane. The dimethylformamide and solvent water molecules participate in intermolecular O—H...O and O—H...S hydrogen bonds, which consolidate the crystal packing.

  12. Tetraphenyl-arsonium cis-bis-[1,2-bis-(tri-fluoro-meth-yl)ethene-1,2-dithiol-ato]platinate(II).

    Science.gov (United States)

    Hosking, Stephanie; Lough, Alan J; Fekl, Ulrich

    2009-01-01

    In the title compound, (C(24)H(20)As)[Pt(C(4)F(6)S(2))(2)], the cation lies on a twofold rotation axis while the anion has crystallographic inversion symmetry. The Pt(II) ion is in a slightly distorted square-planar coordination environment. The F atoms of both unique -CF(3) groups are disordered over two sets of sites, the ratios of refined occupancies being 0.677 (15):0.323 (15) and 0.640 (16):0.360 (16). The crystal structure is the first to date of a monoanionic [Pt(tfd)(2)](-) species [tfd is 1,2-bis-(trifluoro-meth-yl)ethene-1,2-dithiol-ate] with a non-redox-active cation. PMID:21582694

  13. Experimental and theoretical structural study of ( 3E, 5E)-3,5-bis-(benzylidene)-4-oxopiperidinium mono- and ( 3E, 5E)-3,5-bis-(4- N, N-dialkylammonio)benzylidene)-4-oxopiperidinium trications

    Science.gov (United States)

    Fonari, Alexandr; Leonova, Evgeniya S.; Makarov, Michail V.; Bushmarinov, Ivan S.; Odinets, Irina L.; Fonari, Marina S.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.

    2011-08-01

    ( 3E, 5E)-3,5-Bis(benzylidene)-4-oxopiperidinium tetrafluoroborate [C 19H 18NO][BF 4] ( 1), ( 3E, 5E)-3,5-bis[4-(dimethylammonio)benzylidene]-4-oxopiperidinium bearing mixed tetrafluoroborate and bis(hexafluoro(μ-hydroxo)diborate) anions [C 23H 30N 3O][B 2F 6OH] n[BF 4] m· xH 2O ( 2), and ( 3E, 5E)-3,5-bis[4-(diethylammonio)benzylidene]-4-oxopiperidinium tris(tetrafluoroborate) monohydrate [C 27H 38N 3O][BF 4] 3·H 2O ( 3) were obtained via mediated by the boron trifluoride etherate aldol-crotonic condensation of the corresponding aldehyde and piperidin-4-one hydrochloride monohydrate. Their structures were studied by IR and multinuclear NMR spectroscopy, and single crystal X-ray diffraction. The X-ray analysis revealed the presence of monoprotonated piperidinium cation in 1 and triprotonated cations in 2 and 3. The hexafluoro(μ-hydroxo)diborate anion was found in the mixed-anionic salts 2A and 2B which differ by the ratio of the anions. The extended hydrogen-bonded system is registered in all compounds. Static first order hyperpolarizabilities for the neutral ( 3E, 5E)-3,5-bis[4-(dimethylamino)benzylidene]-piperidin-4-one and its positively charged derivatives along with their molecular geometries and binding energy of 1 were calculated using DFT approach.

  14. Energetic salts based on monoanions of N,N-bis(1H-tetrazol-5-yl)amine and 5,5'-bis(tetrazole).

    Science.gov (United States)

    Guo, Yong; Tao, Guo-Hong; Zeng, Zhuo; Gao, Haixiang; Parrish, Damon A; Shreeve, Jean'ne M

    2010-03-22

    High-density energetic salts that contain nitrogen-rich cations and the 5-(tetrazol-5-ylamino)tetrazolate (HBTA(-)) or the 5-(tetrazol-5-yl)tetrazolate (HBT(-)) anion were readily synthesized by the metathesis reactions of sulfate salts with barium compounds, such as bis[5-(tetrazol-5-ylamino)tetrazolate] (Ba(HBTA)(2)), barium iminobis(5-tetrazolate) (BaBTA), or barium 5,5'-bis(tetrazolate) (BaBT) in aqueous solution. All salts were fully characterized by IR spectroscopy, multinuclear ((1)H, (13)C, (15)N) NMR spectroscopy, elemental analyses, density, differential scanning calorimetry (DSC), and impact sensitivity. Ba(HBTA)(2) x 4 H(2)O crystallizes in the triclinic space group P1, as determined by single-crystal X-ray diffraction, with a density of 2.177 g cm(-3). The densities of the other organic energetic salts range between 1.55 and 1.75 g cm(-3) as measured by a gas pycnometer. The detonation pressure (P) values calculated for these salts range from 19.4 to 33.6 GPa, and the detonation velocities (nu(D)) range from 7677 to 9487 m s(-1), which make them competitive energetic materials. Solid-state (13)C NMR spectroscopy was used as an effective technique to determine the structure of the products that were obtained from the metathesis reactions of biguanidinium sulfate with barium iminobis(5-tetrazolate) (BaBTA). Thus, the structure was determined as an HBTA salt by the comparison of its solid-state (13)C NMR spectroscopy with those of ammonium 5-(tetrazol-5-ylamino)tetrazolate (AHBTA) and diammonium iminobis(5-tetrazolate) (A(2)BTA). PMID:20151439

  15. Surfactant assisted self-assembly of zinc 5,10-bis (4-pyridyl)-15,20-bis (4-octadecyloxyphenyl) porphyrin into supramolecular nanoarchitectures

    Energy Technology Data Exchange (ETDEWEB)

    Gautam, Renu; Chauhan, S.M.S., E-mail: smschauhan@chemistry.du.ac.in

    2014-10-01

    The surfactant assisted self-assembly (SAS) method has been used in the formation of nanocubes, nanorods and microrods from zinc 5,10-bis (4-pyridyl)-15,20-bis (4-octadecyloxyphenyl) porphyrin. By the dropwise addition of chloroform solution of the zinc porphyrin into an aqueous solution of cetyltrimethylammonium bromide (CTAB), cuboidal nanostructures are formed at the initial stage. The nanocubes are transformed into nanorods and microrods by aging under ambient conditions. The longer nanorods with well defined edges have been formed with lower concentration of porphyrin solution whereas the shorter nanorods have been formed with higher concentration of zinc porphyrin. The synergistic effect of hydrophobic interactions by the long alkyl chains substituted on the peripheral phenyl rings of porphyrin and axial coordination of pyridyl nitrogen atoms with central zinc is mainly responsible for the formation of different nanostructures. The nanostructures were characterized by UV–visible spectra, fluorescence spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), atomic force microscopy (AFM), IR spectroscopy and X-ray diffraction (XRD) pattern. - Graphical abstract: Supramolecular nanocubes, nanorods and microrods have been controllably fabricated by a simple surfactant-assisted solution route using unsymmetrical porphyrin bearing self assembly motifs. - Highlights: • Nanoaggregates from unsymmetrical porphyrin using surfactant were fabricated. • Zn–N axial interaction and hydrophobic interaction play a major role in aggregation. • Self-assembly can be controlled via porphyrin concentration and aging time. • A possible explanation for the fabrication of nanoaggregates has been proposed. • Highly ordered J type of aggregation takes place.

  16. Enhanced charging capability of lithium metal batteries based on lithium bis(trifluoromethanesulfonyl)imide-lithium bis(oxalato)borate dual-salt electrolytes

    Science.gov (United States)

    Xiang, Hongfa; Shi, Pengcheng; Bhattacharya, Priyanka; Chen, Xilin; Mei, Donghai; Bowden, Mark E.; Zheng, Jianming; Zhang, Ji-Guang; Xu, Wu

    2016-06-01

    Rechargeable lithium (Li) metal batteries with conventional LiPF6-carbonate electrolytes have been reported to fail quickly at charging current densities of about 1.0 mA cm-2 and above. In this work, we demonstrate the rapid charging capability of Li||LiNi0.8Co0.15Al0.05O2 (NCA) cells can be enabled by a dual-salt electrolyte of lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) and lithium bis(oxalato)borate (LiBOB) in a carbonate solvent mixture. The cells using the LiTFSI-LiBOB dual-salt electrolyte significantly outperform those using the LiPF6 electrolyte at high charging current densities. At the charging current density of 1.50 mA cm-2, the Li||NCA cells with the dual-salt electrolyte can still deliver a discharge capacity of 131 mAh g-1 and a capacity retention of 80% after 100 cycles. The Li||NCA cells with the LiPF6 electrolyte start to show fast capacity fading after the 30th cycle and only exhibit a low capacity of 25 mAh g-1 and a low retention of 15% after 100 cycles. The reasons for the good chargeability and cycling stability of the cells using the LiTFSI-LiBOB dual-salt electrolyte can be attributed to the good film-formation ability of the electrolyte on the Li metal anode and the highly conductive nature of the sulfur-rich interphase layer.

  17. Deformation of redox-active polymer gel based on polysiloxane backbone and bis(benzodithiolyl)bithienyl scaffold.

    Science.gov (United States)

    Ohtake, Toshihiro; Tanaka, Hideki; Matsumoto, Tetsuro; Ohta, Akira; Kimura, Mutsumi

    2014-12-01

    Redox-active polymer gels consisting of polysiloxane backbone and bis(benzodithiolyl)bithienyl units have been designed and synthesized. The bis(benzodithiolyl)bithienyl units, which undergo interconversion between cyclic form and opened dicationic form, have been incorporated into polysiloxane backbone via hydrosilylation of vinyl-terminated bis(benzodithiolyl)bithienyl derivative and poly(methylhydrosiloxane) (PMHS) or poly(dimethylsiloxane-co-hydrogenmethylsiloxane) (PDMS-co-PMHS), resulting in polymer gels cross-linked with bis(benzodithiolyl)bithienyl units. After the incorporation of M1 into polysiloxane backbone, these polymer gels (P1 and P2) also exhibit redox responses associated with the electrochemical interconversion of the bis(benzodithiolyl)bithienyl moieties. The polymer gels show swelling behavior upon chemical oxidization, and bending behavior has been observed for the polymer gel immobilized poly(vinylidene difluoride) (PVdF) film. These results provide a useful perspective for fabricating redox-triggered polymer gel actuators based on the conformational change of the functional molecular unit. PMID:25400032

  18. Conformational switching of ethano-bridged Cu,H2-bis-porphyrin induced by aromatic amines

    Directory of Open Access Journals (Sweden)

    Simona Bettini

    2015-11-01

    Full Text Available Cu,H2-bis-porphyrin (Cu,H2-Por2, in which copper porphyrin and free-base porphyrin are linked together by an ethano-bridge, was dissolved in chloroform and spread at the air/liquid subphase interface of a Langmuir trough. The bis-porphyrin derivative, floating film was characterized by reflection spectroscopy and the surface pressure of the floating film was studied as a function of the mean area per molecule. When aromatic amines are dissolved in the subphase, an evident interaction between the bis-porphyrin host and the aromatic amine guest is observed. A clear-cut variation of the profile of surface pressure vs area per molecule curve is observed. Reflection spectroscopy highlights that the aromatic amines dissolved in the subphase are able to induce the syn-to-anti conformational switching in the bis-porphyrin derivative. The Langmuir–Schaefer technique has been used to transfer the floating bis-porphyrin film (when using pure water as a subphase to a surface plasmon resonance (SPR substrate and the resulting device was able to detect the presence of aniline at concentrations as low as 1 nM in aqueous solution. The high selectivity of the SPR sensing device has been verified by checking the spectral response of the active layer towards other analytes dissolved in the aqueous solutions.

  19. Synthesis, Characterization, and Reactivity of Amine Bis(phenolato) Cyclopentadienyl Lanthanide Complexes

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    (C5H5)3Ln(THF) reacted with amine bis(phenol) LH2[L=Me2NCH2CH2N{CH2-(2-O-C6H2-But-3-Me-5)}2] in a 1:1 molar ratio in THF to generate the amine bis(phenolato) cyclopentadienyl lanthanide complexes LLn(C5H5)(THF)·(THF)n (Ln=La (1), n=0; Ln=Sm(2), n=1) in high yields. Complexes 1 and 2 were fully characterized by elemental analysis, NMR (for 1) and IR spectra, and X-ray structural determination. The crystal data of complex 1 are monoclinic, P21/c space group, a=1.1595(1) nm, b=1.8588(2) nm, c=1.6647(1) nm, β= 98.490(2)°, V=3.5486(5) nm3, Z=4, Dc=1.338 mg·m-3, μ=1.240 mm-1, F(000)=1488, R=0.0249, wR=0.0568. The crystal data of complex 2 are monoclinic, P21/c space group, a=0.9692(1) nm, b=1.4583(2) nm, c=2.8192(3) nm, β=96.805(2)°, V=3.9584(7) nm3, Z=4, Dc=1.340 mg·m-3, μ=1.524 mm-1, F(000)=1668, R=0.0346, wR=0.0756. The attempts failed to synthesize the amine bis(phenolate) lanthanide alkoxides by the reactions of complexes 1 and 2 with alcohols. The preliminary results revealed that complex 1 can initiate ε-caprolactone polymerization.

  20. Sweat gland toxicity induced by bis (tributyltin) oxide: an ultrastructural and X-ray microanalysis study

    Energy Technology Data Exchange (ETDEWEB)

    Yamamoto, O. [Univ. of Occupational and Environmental Health Japan, Kitakyushu (Japan). Dept. of Dermatology and Occupational Dermatopathology; Doi, Y.; Kudo, H.; Fujimoto, S. [Univ. of Occupational and Environmental Health Japan, Kitakyushu (Japan). Dept. of Anatomy; Yoshizuka, M. [Kurume Univ. (Japan). Dept. of Anatomy

    2000-12-01

    Acute toxicity of bis (tributyltin) oxide in the sweat glands in the rat footpad was investigated by electron microscopy and an energy-dispersive X-ray microanalyzer. Male Wistar rats received an intramuscular injection of 0.5 ml/kg bis (tributyltin) oxide. After 6-8 h, swelling of mitochondria appeared in the secretory cells of the sweat glands. After 12 h, the secretory cells began to show intracytoplasmic edema. After 16-20 h, secretory cells in some sweat glands showed marked hydropic degeneration with swollen cytoplasm. Using X-ray microanalysis, tin peaks were preferentially obtained from the swollen mitochondria of the affected secretory cells. Mitochondria dysfunction due to the toxic effects of bis (tributyltin) oxide induced changes in the secretory cells of rat sweat glands contained three types of cells: degenerating dark cells, regenerating cells carrying injured mitochondria, and light cells which were morphologically very similar to the cells in the transitional portion of the sweat gland. These light cells appeared to differentiate into active secretory cells after settling down in the secretory portion. Based on these observations, we concluded that the cells in the transitional portion could play an important role at least as reserve cells against secretory cell toxicity. In association with the regenerating process of the damaged secretory portions, increased mitotic activities were seen in different areas of all the dermal sweat ducts. The above-mentioned morphological observations for cell damage and subsequent regeneration and renewal of secretory cells in sweat gland intoxication have not been reported so far. (orig.)

  1. Experimental density measurements of bis(2-ethylhexyl) phthalate at elevated temperatures and pressures

    International Nuclear Information System (INIS)

    Highlights: • High-temperature, high-pressure experimental densities of bis(2-ethylhexyl) phthalate are reported. • Modified Tait equation is used to correlate reported experimental density data. • The PC-SAFT EoS is used to model experimental density result of bis(2-ethylhexyl) phthalate. • The Peng–Robinson and a volume translation of the Peng–Robinson EoS are used to model reported experimental results. -- Abstract: Experimental high-temperature, high-pressure (HTHP) density data for bis(2-ethylhexyl) phthalate (DEHP) are reported in this study. DEHP is a popular choice as a reference fluid for viscosity calibrations in the HTHP region. However, reliable HTHP density values are needed for accurate viscosity calculations for certain viscometers (e.g. rolling ball). HTHP densities are determined at T = (373, 424, 476, 492, and 524) K and P to 270 MPa using a variable-volume, high-pressure view cell. The experimental density data are satisfactorily correlated by the modified Tait equation with a mean absolute percent deviation (δ) of 0.15. The experimental data are modeled with the Peng–Robinson (PREoS), volume-translated PREoS (VT-PREoS), and perturbed chain statistical associating fluid theory (PC-SAFT EoS) models. The required parameters for the two PREoS and the PC-SAFT EoS models are determined using group contribution methods. The PC-SAFT EoS performs the best of the three models with a δ of 2.12. The PC-SAFT EoS is also fit to the experimental data to obtain a new set of pure component parameters that yield a δ of 0.20 for these HTHP conditions

  2. New cytotoxic and water-soluble bis(2-phenylazopyridine)ruthenium(II) complexes.

    Science.gov (United States)

    Hotze, Anna C G; Bacac, Marina; Velders, Aldrik H; Jansen, Bart A J; Kooijman, Huub; Spek, Anthony L; Haasnoot, Jaap G; Reedijk, Jan

    2003-04-24

    New water-soluble bis(2-phenylazopyridine)ruthenium(II) complexes, all derivatives of the highly cytotoxic alpha-[Ru(azpy)(2)Cl(2)] (alpha denoting the coordinating pairs Cl, N(py), and N(azo) as cis, trans, cis, respectively) have been developed. The compounds 1,1-cyclobutanedicarboxylatobis(2-phenylazopyridine)ruthenium(II), alpha-[Ru(azpy)(2)(cbdca-O,O')] (1), oxalatobis(2-phenylazopyridine)ruthenium(II), alpha-[Ru(azpy)(2)(ox)] (2), and malonatobis(2-phenylazopyridine)ruthenium(II), alpha-[Ru(azpy)(2)(mal)] (3), have been synthesized and fully characterized. X-ray analyses of 1 and 2 are reported, and compound 1 is the first example in which the cbdca ligand is coordinated to a ruthenium center. The cytotoxicity of this series of water-soluble bis(2-phenylazopyridine) complexes has been determined in A2780 human ovarian carcinoma and A2780cisR, the corresponding cisplatin-resistant cell line. For comparison reasons, the cytotoxicity of the complexes alpha-[Ru(azpy)(2)Cl(2)], alpha-[Ru(azpy)(2)(NO(3))(2)], beta-[Ru(azpy)(2)Cl(2)] (beta indicating the coordinating pairs Cl, N(py), and N(azo) as cis, cis, cis, respectively), and beta-[Ru(azpy)(2)(NO(3))(2)] have been determined in this cell line. All the bis(2-phenylazopyridine)ruthenium(II) compounds display a promising cytotoxicity in the A2780 cell line (IC(50) = 0.9-10 microM), with an activity comparable to that of cisplatin and even higher than the activity of carboplatin. Interestingly, the IC(50) values of this series of ruthenium compounds (except the beta isomeric compounds) are similar in the cisplatin-resistant A2780cisR cell line compared to the normal cell line A2780, suggesting that the activity of these compounds might not be influenced by the multifactorial resistance mechanism that affect platinum anticancer agents. PMID:12699392

  3. Synthesis of a Bis(thiophenolate)pyridine Ligand and Its Titanium, Zirconium, and Tantalum Complexes

    KAUST Repository

    Lenton, Taylor N.

    2012-11-12

    A precursor to a new tridentate LX 2 type ligand, bis(thiophenol)pyridine ((SNS)H 2 = (2-C 6H 4SH) 2-2,6-C 5H 3N), was prepared. Bis(thiophenolate)pyridine complexes of Ti, Zr, and Ta having dialkylamido coligands were synthesized and structurally characterized. The zirconium complex (SNS)Zr(NMe 2) 2 (4) displays C 2 symmetry in the solid state, unlike a related bis(phenolate)pyridine compound, C s-symmetric (ONO)Ti(NMe 2) 2. This change is likely the result of strain about the sulfur atom in the six-membered chelate with longer metal-sulfur and carbon-sulfur bonds. Solid-state structures of tantalum complexes (SNS)Ta(NMe 2) 3 (5) and (SNS)TaCl(NEt 2) 2 (6) also display pronounced C 2 twisting of the SNS ligand. 1D and 2D NMR experiments show that 5 is fluxional, with rotation about the Ta-N(amide) bonds occurring on the NMR time scale that interchange the equatorial amide methyl groups (ΔG ‡ 393 = 25.0(3) kcal/mol). The fluxional behavior of 6 in solution was also studied by variable-temperature 1H NMR. Observation of separate signals for the diastereotopic protons of the methylene unit of the diethylamide indicates that the complex remains locked on the NMR time scale in one diastereomeric conformation at temperatures below -50 °C, fast rotation about the equatorial amide Ta-N bonds occurs at higher temperature (ΔG ‡ 393 = 13.4(3) kcal/mol), and exchange of diastereomeric methylene protons occurs via inversion at Ta that interconverts antipodes (ΔG ‡ 393 ≈ 14(1) kcal/mol). © 2012 American Chemical Society.

  4. Degree of Conversion and BisGMA, TEGDMA, UDMA Elution from Flowable Bulk Fill Composites

    Directory of Open Access Journals (Sweden)

    Edina Lempel

    2016-05-01

    Full Text Available The degree of conversion (DC and the released bisphenol A diglycidyl ether dimethacrylate (BisGMA, triethylene glycol dimethacrylate (TEGDMA and urethane dimethacrylate (UDMA monomers of bulk-fill composites compared to that of conventional flowable ones were assessed using micro-Raman spectroscopy and high performance liquid chromatography (HPLC. Four millimeter-thick samples were prepared from SureFil SDR Flow (SDR, X-tra Base (XB, Filtek Bulk Fill (FBF and two and four millimeter samples from Filtek Ultimate Flow (FUF. They were measured with micro-Raman spectroscopy to determine the DC% of the top and the bottom surfaces. The amount of released monomers in 75% ethanol extraction media was measured with HPLC. The differences between the top and bottom DC% were significant for each material. The mean DC values were in the following order for the bottom surfaces: SDR_4mm_20s > FUF_2mm_20s > XB_4mm_20s > FBF_4mm_20s > XB_4mm_10s > FBF_4mm_10s > FUF_4mm_20s. The highest rate in the amount of released BisGMA and TEGDMA was found from the 4 mm-thick conventional flowable FUF. Among bulk-fills, FBF showed a twenty times higher amount of eluted UDMA and twice more BisGMA; meanwhile, SDR released a significantly higher amount of TEGDMA. SDR bulk-fill showed significantly higher DC%; meanwhile XB, FBF did not reach the same level DC, as that of the 2 mm-thick conventional composite at the bottom surface. Conventional flowable composites showed a higher rate of monomer elution compared to the bulk-fills, except FBF, which showed a high amount of UDMA release.

  5. Degree of Conversion and BisGMA, TEGDMA, UDMA Elution from Flowable Bulk Fill Composites

    Science.gov (United States)

    Lempel, Edina; Czibulya, Zsuzsanna; Kovács, Bálint; Szalma, József; Tóth, Ákos; Kunsági-Máté, Sándor; Varga, Zoltán; Böddi, Katalin

    2016-01-01

    The degree of conversion (DC) and the released bisphenol A diglycidyl ether dimethacrylate (BisGMA), triethylene glycol dimethacrylate (TEGDMA) and urethane dimethacrylate (UDMA) monomers of bulk-fill composites compared to that of conventional flowable ones were assessed using micro-Raman spectroscopy and high performance liquid chromatography (HPLC). Four millimeter-thick samples were prepared from SureFil SDR Flow (SDR), X-tra Base (XB), Filtek Bulk Fill (FBF) and two and four millimeter samples from Filtek Ultimate Flow (FUF). They were measured with micro-Raman spectroscopy to determine the DC% of the top and the bottom surfaces. The amount of released monomers in 75% ethanol extraction media was measured with HPLC. The differences between the top and bottom DC% were significant for each material. The mean DC values were in the following order for the bottom surfaces: SDR_4mm_20s > FUF_2mm_20s > XB_4mm_20s > FBF_4mm_20s > XB_4mm_10s > FBF_4mm_10s > FUF_4mm_20s. The highest rate in the amount of released BisGMA and TEGDMA was found from the 4 mm-thick conventional flowable FUF. Among bulk-fills, FBF showed a twenty times higher amount of eluted UDMA and twice more BisGMA; meanwhile, SDR released a significantly higher amount of TEGDMA. SDR bulk-fill showed significantly higher DC%; meanwhile XB, FBF did not reach the same level DC, as that of the 2 mm-thick conventional composite at the bottom surface. Conventional flowable composites showed a higher rate of monomer elution compared to the bulk-fills, except FBF, which showed a high amount of UDMA release. PMID:27213361

  6. C,C'-bis(benzodiazaborolyl)dicarba-closo-dodecaboranes: synthesis, structures, photophysics and electrochemistry.

    Science.gov (United States)

    Weber, Lothar; Kahlert, Jan; Brockhinke, Regina; Böhling, Lena; Halama, Johannes; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Nervi, Carlo; Harder, Rachel A; Fox, Mark A

    2013-08-14

    Six new C,C'-bis(benzodiazaborolyl)dicarba-closo-dodecaboranes, 1,A-R2-1,A-C2B10H10, where R represents the group 2-(1,3-Et2-1,3,2-N2BC6H4) or 2-(1,3-Ph2-1,3,2-N2BC6H4) and A is 2, 7 or 12, were synthesized from o-, m-, and p-dicarbadodecaboranes (carboranes) by lithiation and subsequent treatment with the respective 2-bromo-1,3,2-benzodiazaboroles. UV-visible and fluorescence spectra of all carboranes display low energy charge transfer emissions. While such emissions with Stokes shifts between 17,330 and 21,290 cm(-1) are typical for C,C'-bis(aryl)-ortho-carboranes, the observed low-energy emissions with Stokes shifts between 8320 and 15,170 cm(-1) for the meta- and para-isomers are unusual as high-energy emissions are typical for meta- and para-dicarbadodecaboranes. Fluorescence quantum yields (φF) for the novel 1,7- and 1,12-bis(benzodiazaborolyl)-carboranes depend on the substituents at the nitrogen atoms of the heterocycle. Thus, the para-carborane with N-ethyl substituents 1,12-(1',3'-Et2-1',3',2'-N2BC6H4)2-1,12-C2B10H10 has a φF value of 41% in cyclohexane solution and only of 9% in the solid state, whereas the analogous 1,12-(1',3'-Ph2-1',3',2'-N2BC6H4)2-1,12-C2B10H10 shows quantum yields of 3% in cyclohexane solution and 72% in the solid state. X-ray crystallographic, computational and cyclic voltammetry studies for these carboranes are also presented.

  7. Síntesis de sistemas policíclicos a partir de bis-enolatos

    OpenAIRE

    Lobato Mosquera, Rubén

    2016-01-01

    Este trabajo de tesis doctoral estudia la reactividad de bis-enolatos de diésteres aromáticos derivados de ftalato, naftaleno y antraceno y su aplicación a la síntesis de sistemas policíclicos de gran variedad y complejidad estructural. Se han desarrollado estrategias sintéticas que permiten la preparación de (a) sistemas bicíclicos [n.2.2], donde n varía desde 2 a 20 átomos de carbono a partir de antraceno diéster, (b) sistemas tipo espirociclo [n.6] polisustituidos, (c) fenoles y ciclohexen...

  8. Influence of sodium bis(2-ethylhexyl) sulfosuccinate (AOT) on zinc electrodeposition

    Energy Technology Data Exchange (ETDEWEB)

    Lehr, I.L. [Instituto de Ingenieria Electroquimica y Corrosion (INIEC), Departamento de Ingenieria Quimica, Universidad Nacional del Sur, Av. Alem 1253, 8000 Bahia Blanca (Argentina); Saidman, S.B., E-mail: ssaidman@criba.edu.ar [Instituto de Ingenieria Electroquimica y Corrosion (INIEC), Departamento de Ingenieria Quimica, Universidad Nacional del Sur, Av. Alem 1253, 8000 Bahia Blanca (Argentina)

    2012-03-01

    This work is a study of the electrodeposition of zinc onto SAE 4140 steel electrodes using solutions containing zinc sulfate and bis(2-ethylhexyl) sodium sulfosuccinate (AOT). The influence of different parameters such as electrolyte concentration, electrodeposition time and temperature on the morphology of the electrodeposits was analyzed. The deposits were characterized by scanning electron microscopy (SEM), energy dispersive X-ray (EDX) and X-ray diffraction. The variation of open circuit potential over time in chloride solutions was also evaluated. The nucleation-growth process and consequently the morphology of the electrodeposits are modified in the presence of AOT. The surfactant induces the formation of a porous deposit.

  9. APPLICATIONS OF CERIUM BIS (MONOMYRISTY—LPHOSPHATE)ADSORBENT TO REVERSED PHASE LIQUID CHROMATOGRAPHY

    Institute of Scientific and Technical Information of China (English)

    SuZhengquan; FengHuixia; 等

    1996-01-01

    The tetravalent metal salts of monoalkyl phosphates [M(O3POR)2]are a new kind of stationary phases of Chromatography-homogeneous bonded phases.This paper deals with the application of cerium bis(monomyristylphosphate)as support to reversed phase liquid chromatography.The results show that the best mobil phase is CH3CN:H2O=95:5.The good separation to the mixture containing six aromatic hydrocarbons and the determination of naphthalene in a group samples have been achieved.The regression analysis shows that detect limits,linearities and precision for six aromatic hydrocarbons are good.

  10. Coordination polymer based on (1,2-bis(2-picolinamido) phenyl)copper

    Institute of Scientific and Technical Information of China (English)

    YE Kaiqi; WU Ying; ZHANG Hongyu; YE Ling; YU Jingsheng; YANG Guangdi; WANG Yue

    2005-01-01

    (1,2-bis(2-pyridinecarboxamido)benzene copper Cu(bpb) was synthesized and employed as a building block to construct supramolecular coordination polymer based on intermolecular coordination and hydrogen bonding interactions. X-ray single-crystal diffraction characterization revealed that intermolecular coordination interactions lead to the formation of one-dimensional infinite molecular columns, which array along the same direction in the crystal resulting in the three-dimensional network. The molecular columns are linked together by hydrogen-bonding interactions, which infinitely extend in bc plane. The one-dimensional coordination bonding and two-dimensional hydrogen-bonding interactions result in the formation of supramolecular coordination polymer.

  11. Dioxouranium (VI) complexes of macrocyclic ligands derived from 2.6-diacetyl pyridine-bis(thiosemicarbazone)

    International Nuclear Information System (INIS)

    The dioxouranium(VI) complex of 2.6-diacetylpyridine-bis(thiosemicarbazone), (DAPTC), [UO2(DAPTC) (NO3)2] and its reactions with diketones are described. The complexes so obtained have been characterized on the basis of elemental analyses, electrical conductance and spectral (i.r. and electronic) data. The parent complex reacts with β-diketones to form a complex of the type [UO2(mac)(NO3)2], where mac is a macrocyclic ligand derived by the condensation of DAPTC and a β-diketone. The ligand, DAPTC, acts as a neutral, terdentate ligand having coordination sites at pyridine nitrogen and two azomethine nitrogens. 27 refs

  12. Complexation between Methyl Viologen (Paraquat) Bis(Hexafluorophosphate) and Dibenzo[24]Crown-8 Revisited

    DEFF Research Database (Denmark)

    Gasa, Travis B.; Spruell, Jason M.; Dichtel, William R.;

    2009-01-01

    Paraquat bis(hexafluorophosphate) undergoes stepwise dissociation in acetone. All three species - the neutral molecule, and the mono- and dications - are represented significantly under the experimental conditions typically used in host-guest binding studies. Paraquat forms at least four host...... toward dibenzo[24]crown-8. Thus, the relative abundance of neutral, singly, and doubly charged pseudorotaxanes is identical to the relative abundance of neutral, singly, and doubly charged paraquat unbound with respect to the crown ether in acetone. In the specific case of paraquat/dibenzo[24]crown-8...

  13. Crystal assembly based on 3,5-bis(2'-benzimidazole) pyridine and its complexes

    Science.gov (United States)

    Tong, Shan Ling; Tian, Zhao Yong; Wu, Ya Hong; Yan, Yan; Hu, Sheng; Yu, Jian

    2013-03-01

    Imdazole, pyridine and their derivatives have been considered as excellent ligands in supramolecular self-assembly. In this paper, a ligand molecule 3,5-bis (2'-benzimidazole) pyridine (BBP) was prepared, and two different crystal architectures based on the ligand molecule were self-assembled by diffusion/solvothermal ways. Furthermore, several crystal architectures of several relative complexes were also successfully assembled. These crystal structures were well defined by X-ray diffractions. Structural resolutions indicated that, as building blocks, this bibenzimidazole pyridine molecules exhibited coordination varieties in constructing the crystal architectures based on its related complexes.

  14. Synthesis and Characterization of the Adducts of Bis(O-ethyldithiocarbonatocopper(II with Substituted Pyridines

    Directory of Open Access Journals (Sweden)

    Gurpreet Kour

    2013-01-01

    Full Text Available Monomeric five coordinated adducts of bis(O-ethyldithiocarbonatocopper(II of general formula [Cu(C2H5OCS22(L], [L = 2-, 3-, 4-methylpyridines and 2-, 3-, 4-ethylpyridines] have been synthesized and characterized by elemental analysis, i.r. and electronic spectroscopy, magnetic and conductivity measurements. Analytical results show that the adducts have 1 : 1 stoichiometry. The adducts were found to be paramagnetic and their magnetic moments at room temperature lie within the 1.81–1.94 B.M. range and this indicates the presence of one unpaired electron. All the adducts have distorted square pyramidal geometry.

  15. White organic light-emitting diodes with 9, 10-bis (2-naphthyl) anthracene

    Energy Technology Data Exchange (ETDEWEB)

    Guan Yunxia; Niu Lianbin [Key Laboratory of Optical Engineering, College of Physics and Information Technology, Chongqing Normal University, Chongqing 400047 (China)], E-mail: gyxybsy@126.com, E-mail: niulb03@126.com

    2009-03-01

    White organic light-emitting diodes were fabricated by 9, 10-bis (2-naphthyl) anthracene (ADN) doped with Rubrene with a structure of ITO/copper phthalocyanine (CuPc) / NPB /ADN: Rubrene /Alq{sub 3} /CsF/Mg:Ag/Ag. Multilayer organic devices using AND and Rubrene as an emitting layer produced white emissions with good chromaticity and luminous efficiency as high as 5.93 cd/A. This performance can be explained by Foerster energy transfer from the blue-emitting host to the orange-emitting dopant.

  16. Synthesis, characterization and antioxidant study of N,N’-bis(2-chlorobenzamidothiocarbonyl)hydrazine

    Energy Technology Data Exchange (ETDEWEB)

    Firdausiah, Syadza; Hasbullah, Siti Aishah; Yamin, Bohari M. [School of Chemical Science and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia)

    2015-09-25

    N,N’-bis(2-chlorobenzamidothiocarbonyl)hydrazine was synthesized from 2-chlorobenzoylisothiocyanate and hydrazine in acetone. The compound was characterized by infrared, {sup 1}H and {sup 13}C NMR, and UV-Vis spectroscopies. X-ray crystallography study showed the molecule adopt trans configuration at both N-N and C-N bonds. The compound showed high antioxidant activity, EC{sub 50} of 374.89 µM, compared to ascorbic acid (EC{sub 50} of 561.36 µM)

  17. Synergistic solvent extraction of erbium (III) by mixtures of bis-2-ethylhexyl sulphoxide and 2-thenoyltrifluoroacetone

    International Nuclear Information System (INIS)

    Synergism in the extraction of Er(III) from thiocyanate solutions has been investigated using mixtures of bis-2-ethylhexyl sulphoxide (B2EHSO) and 2-thenoyltrifluoroacetone (HTTA) in benzene. These extraction data have been analysed theoretically with the aid of a computer by taking into account complexation of the metal in the aqueous phase by inorganic ligands and plausible complexation in the organic phase. The equilibrium constants of the various product species have been deduced by non-linear regression analysis. (author). 6 refs., 2 tab

  18. 3,5-Bis[(dimethylamino)methyl]-1-nitro-4-(trimethylsilyl)benzene

    OpenAIRE

    von Chrzanowski, L.S.; Lutz, M; Spek, A.L.; Slagt, M.Q.; van Koten, G.

    2007-01-01

    The title compound, C15H27N3O2Si, which is an NCN {NCN = 2,6-bis[(dimethylamino)methyl]phenyl} pincer ligand, nitro-substituted in the para position, features intramolecular C—H...N and intermolecular C—H...O hydrogen-bond contacts producing dimeric units. The Si atoms are essentially tetrahedral with normal bond lengths and angles. The nitro groups are in the planes of the corresponding benzene rings and the amino groups are mutually trans. Despite the presence of four independent molecules ...

  19. Diazido{(S-1-phenyl-N,N-bis[(2-pyridylmethyl]ethanamine}copper(II

    Directory of Open Access Journals (Sweden)

    Sankara Rao Rowthu

    2011-07-01

    Full Text Available In the title compound, [Cu(N32(C20H21N3], the CuII ion is coordinated by the three N atoms of the (S-1-phenyl-N,N-bis[(2-pyridylmethyl]ethanamine ligand and two N atoms from two azide anions, resulting in a distorted square-pyramidal environment. A weak intermolecular C—H...N hydrogen-bonding interaction between one pyridine group of the ligand and an azide N atom of an adjacent complex unit gives a one-dimensional chain structure parallel to the c axis.

  20. Tris{N-[bis(dimethylaminophosphinoyl]-2,2,2-trichloroacetamido}(triphenylphosphine oxideholmium(III

    Directory of Open Access Journals (Sweden)

    Oleksiy V. Amirkhanov

    2010-06-01

    Full Text Available In the title compound, [Ho(C6H12Cl3N3O2P3(C18H15OP], the HoIII ion is surrounded by six O atoms from the three bidentate N-[bis(dimethylaminophosphinoyl]-2,2,2-trichloroacetamido ligands (L− and by one O atom from the triphenylphosphine oxide ligand, with the formation of a distorted monocapped octahedron. In one ligand L−, the trichloromethyl group is rotationally disordered between two orientations in a 1:1 ratio, while two dimethylamino groups in another ligand L− are disordered between two conformations, each with the same 1:1 ratio.

  1. A temperature dependent infrared absorption study of strong hydrogen bonds in bis(glycinium)oxalate

    Science.gov (United States)

    Bhatt, Himal; Deo, M. N.; Murli, C.; Vishwakarma, S. R.; Chitra, R.; Sharma, Surinder M.

    2016-05-01

    We report infrared absorption studies on Bis(glycinium)oxalate, an organic complex of the simplest amino acid Glycine, under varying temperatures in the range 77 - 350 K. The measurements have been carried out in the spectral range 400 - 4000 cm-1 and the strongest O-H---O hydrogen bond, which plays a vital role in the structural stabilization, has been studied. Subtle changes in widths of modes and temperature dependent frequency variations have been observed near 250 K. The hydrogen bonding network remains stable in the entire temperature range. This is in contrast to its reported high pressure behavior.

  2. Bis(trifluoromethylsulfonyl)phenylamines as Internal Donors for Ziegler-Natta Polymerization Catalysts

    Institute of Scientific and Technical Information of China (English)

    Li Huashu; Yi Jianjun; Cui Chunming

    2008-01-01

    Several bis(trifluoromethylsulfonyl)phenylamines have been synthesized and used as internal donors for the preparation of heterogeneous Ziegler-Natta catalysts for propylene polymerization. These new cata-lysts are highly active and stereospecific in combination with an external donor for the polymerization of propylene. The activity of these catalysts is dramatically influenced by the electronic capability of the phenyl substituents on the sulfonyl phenylamines. Therefore, the performances of the catalysts can be modified by adjusting the electronic property of the phenyl substituents of the sulfonyl phenylamines.

  3. SYNTHESIS AND STUDY OF ANALGESIC, ANTI-INFLAMMATORY ACTIVITIES OF BIS (INDOLYL METHANES (BIMs

    Directory of Open Access Journals (Sweden)

    Partha Pratim Kaishap*, Chandrajit Dohutia and Dipak Chetia

    2012-11-01

    Full Text Available Gastro-intestinal (GI toxicity is the common adverse effect which has been associated with most of NSAIDs available in the market. So the search for new therapeutic agents with high margin of safety and freedom from normally associated GI toxic effects has been a priority of pharmacologists and pharmaceutical industries. There are virtually limitless series of structurally novel heterocyclic compounds with a wide range of physical, chemical and biological properties. Literature survey reveals that coupling of two or more biodynamic molecules resulted in the enhanced biological activity. The present work embodied here involves synthesis and evaluation of analgesic and anti-inflammatory activities of some bis (indolyl methane derivatives.

  4. Synthesis and characterization of ether linkage containing bis-fluoran compounds

    Directory of Open Access Journals (Sweden)

    MANISH P. PATEL

    2003-09-01

    Full Text Available 2’-Chloro-6’-diethylaminofluoran and 2’-chloro-3’-methyl-6’-diethylaminofluoran were reacted with various diphenols in dimethyl formamide in the presence of potassium carbonate to give the related bis-fluoran compounds. All the synthesized derivatives were identified by conventional methods (IR, 1H-NMR, elemental analysis and UV-visible spectroscopy in organic solvent and 95 % acetic acid. All the fluoran compounds change their colour in acidic media.

  5. Bis-ligated Ti and Zr complexes of chelating N-heterocyclic carbenes

    KAUST Repository

    El-Batta, Amer

    2011-07-01

    In this communication we report the synthesis of novel titanium and zirconium complexes ligated by bidentate "salicylaldimine-like" N-heterocyclic carbenes (NHC). Double addition of the NHC chelate to either TiCl4(thf)2 or ZrCl4 forms bis-ligated organometallic fragments with a distorted octahedral geometry. These complexes are rare examples of group IV transition-metal NHC adducts. Preliminary catalytic tests demonstrate that in the presence of methylaluminoxane (MAO) these complexes are useful initiators for the polymerization of ethylene and the copolymerization of ethylene with norbornene and 1-octene. © 2011 Elsevier B.V. All rights reserved.

  6. Concomitant polymorphs of 1,3-bis(3-fluorophenyl)urea.

    Science.gov (United States)

    Capacci-Daniel, Christina A; Bertke, Jeffery A; Dehghan, Shoaleh; Hiremath-Darji, Rupa; Swift, Jennifer A

    2016-09-01

    Hydrogen bonding between urea functionalities is a common structural motif employed in crystal-engineering studies. Crystallization of 1,3-bis(3-fluorophenyl)urea, C13H10F2N2O, from many solvents yielded concomitant mixtures of at least two polymorphs. In the monoclinic form, one-dimensional chains of hydrogen-bonded urea molecules align in an antiparallel orientation, as is typical of many diphenylureas. In the orthorhombic form, one-dimensional chains of hydrogen-bonded urea molecules have a parallel orientation rarely observed in symmetrically substituted diphenylureas.

  7. THERMOPHYSICAL PROPERTIES OF 1-BUTYL-3-METHYLIMIDAZOLIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE AT HIGH TEMPERATURES AND PRESSURES

    OpenAIRE

    R. Hamidova; I. Kul; Safarov, J.; A. Shahverdiyev; Van Hassel, E.

    2015-01-01

    Abstract Pressure-density-temperature (p, ρ ,T) data of the ionic liquid 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide [BMIM][NTF2] at T = (273.15 to 413.15) K and pressures up to p =140 MPa are reported with an estimated experimental relative combined standard uncertainty of Δ ρ / ρ = ±(0.01 to 0.08)% in density. The measurements were carried out with a newly constructed Anton-Paar DMA HPM vibration-tube densimeter. The system was calibrated using double-distilled water, aque...

  8. Cyclic Bis-1,3-dialkylpyridiniums from the Sponge Haliclona sp.

    Directory of Open Access Journals (Sweden)

    Jongheon Shin

    2012-09-01

    Full Text Available Eight novel cyclic bis-1,3-dialkylpyridiniums, as well as two known compounds from the cyclostellettamine class, were isolated from the sponge Haliclona sp. from Korea. Structures of these novel compounds were determined using combined NMR and FAB-MS/MS analyses. Several of these compounds exhibited moderate cytotoxic and antibacterial activities against A549 cell-line and Gram-positive strains, respectively. The structure-activity relationships of cyclostellettamines are discussed based on their bioactivities.

  9. Synthesis and antifungal activity of halogenated aromatic bis-γ-lactones analogous to avenaciolide

    International Nuclear Information System (INIS)

    Here we describe the total syntheses and characterization by elemental analyses, infrared and NMR spectroscopy of three new compounds analogous to avenaciolide, a bis-g-lactone isolated from Aspergillus avenaceus that possesses antifungal activity, where the octyl group of the natural product was replaced by aromatic groups containing chlorine and fluorine atoms. The effects of the avenaciolide, the novel compounds and their synthetic precursors on mycelia development and conidia germination of Colletotrichum gloeosporioides and Fusarium solani were evaluated in vitro. The title compounds were almost as active as avenaciolide. The absolute structures of the chlorinated analogs were determined by X-ray diffraction analysis. (author)

  10. Spectroscopic, antifungal and antibacterial studies of 1,4-bis-(chloromethyl)-naphthalene

    International Nuclear Information System (INIS)

    H/sup 1/ and C/sup 13/-NMR spectra indicate that naphthalene portion of 1,4-bis-(chloromethyl)-naphthalene was slightly twisted due to C/sup 8/ - H - Cl bonding. The electrons distribution on magnetically equivalent carbons became uneven that is why ten carbon peaks instead of five pairs of magnetically equivalent carbons had appeared in C/sup 13/-NMR spectra. Due to C/sup 8/ - H - Cl bonding, extension and contraction in bond lengths from their normal positions had occurred. Similar case was with H/sup 1/-NMR of the said compound. The molecule also showed antifungal and antibacterial properties. (author)

  11. Synthesis and antifungal activity of new bis-γ-lactones analogous to avenaciolide

    International Nuclear Information System (INIS)

    In a study of the antifungal activity of selected compounds as potentials agrochemicals, we have prepared and characterized by elemental analyses, infrared and NMR spectroscopies three new bis-γ-lactones analogous to avenaciolide, where the octyl group of this natural product was replaced by heptyl, hexyl and pentyl groups. The effects on the mycelia development and conidia germination of Colletotrichum gloesporioides of these compounds and their synthetic precursors were evaluated in vitro. The title compounds were active in the tested conditions, while all the synthetic precursors were inactive. The preparation and characterization of 15 new synthetic intermediates are also described. (author)

  12. Poly(bis- (2,5-N-methyl pyrrylene) vinylene), a new conducting polymer

    Energy Technology Data Exchange (ETDEWEB)

    Takassi, M.A.; Wha Chen; Niziurski, R.E.; Cava, M.P.; Metzger, R.M. (Dept. of Chemistry, Univ. of Alabama, Tuscaloosa, AL (USA))

    1990-05-01

    A new conducting polymer, poly(bis-(2,5-N-methylpyrrylene)vinylene), pMPy2V, has been prepared by electrochemical oxidation; it is an air-stable, moisture-insensitive, free-standing, black film with metallic conductivity 500 to 800 times greater than that of poly(N-methylpyrrole). The doped polymer probably has a trans configuration around the vinylene groups, and has approximately one cation site for every 16 neutral N-methylpyrrole units. The polymer can be electrochemically reduced to the yellow insulating form. (orig.).

  13. Synthesis and Molecular Structure of Bis-Ferrocene-Containing Acyl Thiourea Derivatives

    Institute of Scientific and Technical Information of China (English)

    XU Yan; FU Yong; RAN Chun-Ling; SONG Mao-Ping

    2003-01-01

    @@ Ferrocene is a compound with excellent stability. In addition, it has very favourable electrochemical properties. So the synthesis, structure, electrochemistry and coordination behaviors of ferrocene-derivatives have attracted considerable attention in recent years.[1,2] Electrondonating atoms such as N, S, O in the derivatives are known for their coordination particularly with transition metals. [3] Two new bis-ferrocene-containing acyl thiourea derivatives are synthesized. The derivatives are confirmed by IR spectrum, 1H NMR and elemental analysis. These compoundshave many electrondonating atoms and two ferrocenes. The structure of one compound is shown below. The study onelectrochemistry and coordination behaviors is in the progress.

  14. Inhibition and breaking of advanced glycation end-products (AGEs) with bis-2-aminoimidazole derivatives

    Science.gov (United States)

    Richardson, Mike A.; Furlani, Robert E.; Podell, Brendan K.; Ackart, David F.; Haugen, Jessica D.; Melander, Roberta J.; Melander, Christian; Basaraba, Randall J.

    2015-01-01

    Advanced glycation end-products (AGEs), unregulated modifications to host macromolecules that occur as a result of metabolic dysregulation, play a role in many diabetes related complications, inflammation and aging, and may lead to increased cardiovascular risk. Small molecules that have the ability to inhibit AGE formation, and even break preformed AGEs have enormous therapeutic potential in the treatment of these disease states. We report the screening of a series of 2-aminoimidazloles for anti-AGE activity, and the identification of a bis-2-aminoimidazole lead compound that possesses superior AGE inhibition and breaking activity compared to the known AGE inhibitor aminoguanidine. PMID:26146419

  15. Thorium Mono- and Bis(imido) Complexes Made by Reprotonation of cyclo-Metalated Amides

    OpenAIRE

    Bell, Nicola L.; Maron, Laurent; Arnold, Polly L

    2015-01-01

    Molecules containing actinide–nitrogen multiple bonds are of current interest as simple models for new actinide nitride nuclear fuels, and for their potential for the catalytic activation of inert hydrocarbon C–H bonds. Complexes with up to three uranium–nitrogen double bonds are now being widely studied, yet those with one thorium–nitrogen double bond are rare, and those with two are unknown. A new, simple mono(imido) thorium complex and the first bis(imido) thorium complex, K[Th(═NAr)N″3] a...

  16. Simple, mild, and highly efficient synthesis of 2-substituted benzimidazoles and bis-benzimidazoles

    Energy Technology Data Exchange (ETDEWEB)

    Eren, Bilge, E-mail: bilge.eren@bilecik.edu.tr [Faculty of Science and Arts, Department of Chemistry, Bilecik Seyh Edebali University, (Turkey); Bekdemir, Yunus [Faculty of Science and Arts, Canik Basari University, Samsun (Turkey)

    2014-07-01

    A new convenient method for preparation of 2-substituted benzimidazoles and bis-benzimidazoles is presented. In this method, o-phenylenediamines were condensed with bisulfite adducts of various aldehydes and di-aldehydes under neat conditions by microwave heating. The results were also compared with results of synthesis by conventional heating under reflux. Structures of the products were confirmed by infrared, {sup 1}H- and {sup 13}C-NMR spectroscopy. Short reaction times, good yields, easy purification of products, and mild reaction conditions are the main advantages of this method. (author)

  17. Enantiopure Radical Cation Salt Based on Tetramethyl-Bis(ethylenedithio-Tetrathiafulvalene and Hexanuclear Rhenium Cluster

    Directory of Open Access Journals (Sweden)

    Flavia Pop

    2016-01-01

    Full Text Available Electrocrystallization of the (S,S,S,S enantiomer of tetramethyl-bis(ethylenedithio-tetrathiafulvalene donor 1 in the presence of the dianionic hexanuclear rhenium (III cluster [Re6S6Cl8]2− affords a crystalline radical cation salt formulated as [(S-1]2·Re6S6Cl8, in which the methyl substituents of the donors adopt an unprecedented all-axial conformation. A complex set of intermolecular TTF···TTF and cluster···TTF interactions sustain an original tridimensional architecture.

  18. Synthesis and antifungal activity of new bis-{gamma}-lactones analogous to avenaciolide

    Energy Technology Data Exchange (ETDEWEB)

    Magaton, Andreia da Silva; Rubinger, Mayura M. M.; Macedo Junior, Fernando C. de [Vicosa Univ., MG (Brazil). Dept. de Quimica]. E-mail: mayura@ufv.br; Zambolim, Laercio [Vicosa Univ., MG (Brazil). Dept. de Fitopatologia

    2007-03-15

    In a study of the antifungal activity of selected compounds as potentials agrochemicals, we have prepared and characterized by elemental analyses, infrared and NMR spectroscopies three new bis-{gamma}-lactones analogous to avenaciolide, where the octyl group of this natural product was replaced by heptyl, hexyl and pentyl groups. The effects on the mycelia development and conidia germination of Colletotrichum gloesporioides of these compounds and their synthetic precursors were evaluated in vitro. The title compounds were active in the tested conditions, while all the synthetic precursors were inactive. The preparation and characterization of 15 new synthetic intermediates are also described. (author)

  19. Formation of complex bis(β-mercaptobenzothiazole)-zinc(II) films by pulsed laser deposition

    Science.gov (United States)

    Zhang, Kejie; Yarmolenko, M. A.; Rogachev, A. A.; Zhou, Bing; Jiang, Xiaohong; Shen, Ruiqi; Liu, Xiaoheng

    2013-05-01

    Bis(β-mercaptobenzothiazole)-zinc (Zn(MBT)2) films were successfully deposited onto silicon substrate by pulsed laser deposition (PLD) method using Zn(MBT)2 powder as the raw material. X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS) and room-temperature photoluminescence (PL) spectroscopy were used to characterize the as-prepared product. The obtained results indicate the structure and composition of Zn(MBT)2 are preserved during the mild PLD process. The approach provides new possibility to produce special metal complex film material.

  20. 4-[Bis(4-fluorophenylmethyl]piperazin-1-ium 2-hydroxybenzoate 2-hydroxybenzoic acid monosolvate

    Directory of Open Access Journals (Sweden)

    A. S. Dayananda

    2012-04-01

    Full Text Available The title compound, C17H19F2N2+·C7H5O3−·C7H6O3, is a co-crystal from 4-[bis(4-fluorophenylmethyl]piperazin-1-ium, salicylate anion and salicylic acid in a 1:1:1 ratio. In addition to an intramolecular O—H...O hydrogen bond, the crystal packing shows hydrogen bonds between the piperazinium cation and salicylate anion (N—H...O, as well as between the salicylic acid molecule and anion (O—H...O, giving rise to a three-dimensional network.

  1. Synthesis and Photophysical and Electrochemical Properties of Functionalized Mono-, Bis-, and Trisanthracenyl Bridged Ru(II Bis(2,2′:6′,2″-terpyridine Charge Transfer Complexes

    Directory of Open Access Journals (Sweden)

    Adewale O. Adeloye

    2014-01-01

    Full Text Available With the aim of developing new molecular devices having long-range electron transfer in artificial systems and as photosensitizers, a series of homoleptic ruthenium(II bisterpyridine complexes bearing one to three anthracenyl units sandwiched between terpyridine and 2-methyl-2-butenoic acid group are synthesized and characterized. The complexes formulated as bis-4′-(9-monoanthracenyl-10-(2-methyl-2-butenoic acid terpyridyl ruthenium(II bis(hexafluorophosphate (RBT1, bis-4′-(9-dianthracenyl-10-(2-methyl-2-butenoic acid terpyridyl ruthenium(II bis(hexafluorophosphate (RBT2, and bis-4′-(9-trianthracenyl-10-(2-methyl-2-butenoic acid terpyridyl ruthenium(II bis(hexafluorophosphate (RBT3 were characterized by elemental analysis, FT-IR, UV-Vis, photoluminescence, 1H and 13C NMR spectroscopy, and electrochemical techniques by elemental analysis, FT-IR, UV-Vis, photoluminescence, 1H and 13C NMR spectroscopy, and electrochemical techniques. The cyclic voltammograms (CVs of (RBT1, (RBT2, and (RBT3 display reversible one-electron oxidation processes at E1/2 = 1.13 V, 0.71 V, and 0.99 V, respectively (versus Ag/AgCl. Based on a general linear correlation between increase in the length of π-conjugation bond and the molar extinction coefficients, the Ru(II bisterpyridyl complexes show characteristic broad and intense metal-to-ligand charge transfer (MLCT band absorption transitions between 480–600 nm, ε=9.45×103 M−1 cm−1, and appreciable photoluminescence spanning the visible region.

  2. Bis(azido) compounds of Pd and Pt with bulky phosphine ligands (dppn=1,8-bis(diphenylphosphino)naphthalene, dppf=1,1‧-bis(diphenylphosphino)ferrocene, 1-dpn=1-diphenylphosphino-naphthalene): Preparation, structures, and reactivity toward isocyanides

    Science.gov (United States)

    Huh, Hyun Sue; Lee, Yeon Kyoung; Lee, Soon W.

    2006-05-01

    Pd-bis(azido) compounds [Pd(dppn)(N 3) 2] and [Pd(dppf)(N 3) 2], which contain bulky chelating bis(phosphine) ligands (dppn=1,8-bis(diphenylphosphino)naphthalene, dppf=1,1'-bis(diphenylphosphino)ferrocene), were prepared from the corresponding chlorides and NaN 3. We also prepared the Pt-bis(azido) compound [Pt(1-dpn)(SMe 2)(N 3) 2] containing a bulky monodentate phosphine (1-dpn=1-diphenylphosphino-naphthalene). All these compounds underwent [2+3] cycloaddition with isocyanides (R-NC, R=cyclohexyl, tert-butyl, 2,6-dimethylphenyl) to convert azido ligands to five-membered, C-coordinated tetrazolate rings. In addition, we observed the [Pd(dppn)Cl 2]-mediated C-C coupling of PhC tbnd6 CH to generate the η 2-PhC tbnd6 C-C tbnd6 CPh ligand. All compounds have been structurally characterized by X-ray diffraction.

  3. Steric and electronic parameters of a bulky yet flexible N-heterocyclic carbene: 1,3-bis(2,6-bis(1-ethylpropyl)phenyl)imidazol-2-ylidene (IPent)

    KAUST Repository

    Collado, Alba

    2013-06-10

    The free N-heterocyclic carbene IPent (1; IPent = 1,3-bis(2,6-bis(1- ethylpropyl)phenyl)imidazol-2-ylidene) was prepared from the corresponding imidazolium chloride salt (2). The steric and electronic parameters of 1 were determined by synthesis of the gold(I) chloride complex [Au(IPent)Cl] (3) and the nickel-carbonyl complex [Ni(IPent)(CO)3] (4), respectively. 3 and 4 were fully characterized by NMR spectroscopy, elemental analysis, and X-ray diffraction studies on single crystals. © 2013 American Chemical Society.

  4. Enhancement of Tc in BiS2-based superconductors NdO0.7F0.3BiS2 by substitution of Pb for Bi

    Science.gov (United States)

    Demura, S.; Fujisawa, Y.; Otsuki, S.; Ishio, R.; Takano, Y.; Sakata, H.

    2015-12-01

    We succeed in enhancement of a superconducting transition temperature (Tc) for NdO0.7F0.3BiS2 single crystal by partial substitution of Pb for Bi. The Tc increases with increasing Pb concentration until 6%. The maximum Tczero is 5.6 K, which is the highest value among BiS2-based based superconductors synthesized under an ambient pressure. Pb substitution for Bi induces lattice shrinkage along the c-axis. These results reflect that superconductivity in this system is responsive to the lattice strain.

  5. Preparation of {sup 166} Dy/{sup 166} Ho DTPA-bis biotin as a system of In vivo generator; Preparacion de {sup 166} Dy/{sup 166} Ho DTPA-bis biotina como un sistema de generador In vivo

    Energy Technology Data Exchange (ETDEWEB)

    Jimenez V, M.R

    2003-07-01

    The objective of this work was to synthesize the complex {sup 166} Dy/{sup 166} Ho - diethylen triamine pentaacetic-bis Biotin ({sup 166} Dy/{sup 166} Ho DTPA-bis Biotin) to evaluate its potential as a new radiopharmaceutical in directed radiotherapy. The Dysprosium-166 was obtained for neutron irradiation of {sup 164} Dy{sub 2}0{sub 3} in the TRIGA Mark III reactor. The labelled was carried out in aqueous solution to p H 8.0 for addition of {sup 166} Dy Cl{sub 3} to the diethylen triamine pentaacetic-{alpha}, {omega}-bis Biotin (DTPA-bis Biotin). The radiochemical purity was determined for HPLC and ITLC. The biological integrity of the marked biotin is evaluated by the biological recognition of the avidin for HPLC - molecular exclusion with and without avidin addition. The studies of stability in vitro were made in dilutions of saline solution to 0.9% and with human serum at 37 C incubated 1 and 24 hours. The complex {sup 166} Dy/{sup 166} Ho DTPA-bis Biotin was obtained with a radiochemical purity of 99.1 {+-} 0.6%. The biological recognition of the complex {sup 166} Dy/{sup 166} Ho DTPA-bis Biotin for the avidin it doesn't affect the labelling procedure. The studies in vitro demonstrated that the {sup 166} Dy/{sup 166} Ho DTPA-bis Biotin is stable after the dilution in saline solution and in human serum that there is not translocation of the one radionuclide subsequent son to the beta decay of the {sup 166} Dy that could produce the {sup 166} Ho{sup 3+} liberation. The studies of Biodistribution in healthy mice demonstrated that the one complex {sup 166} Dy/{sup 166} Ho DTPA-bis Biotin have a high renal distribution. In conclusion the radiolabelled biotin in this investigation has the appropriate properties to be used as an In vivo generator system stable for directed radiotherapy. (Author)

  6. A Selective Chemosensor for Mercuric Ions Based on 4-Aminothiophenol-Ruthenium(II Bis(bipyridine Complex

    Directory of Open Access Journals (Sweden)

    Amer A. G. Al Abdel Hamid

    2011-01-01

    Full Text Available A new ruthenium(II complex (cis-ruthenium-bis[2,2′-bipyridine]-bis[4-aminothiophenol]-bis[hexafluorophosphate] has been synthesized and characterized using standard analytical and spectroscopic techniques, FTIR, 1H and 13C-NMR, UV/vis, elemental analysis, conductivity measurements, and potentiometric titration. Investigation of the synthesized complex with metal ions showed that this complex has photochemical properties that are selective and sensitive toward the presence of mercuric ion in aqueous solution. The detection limit for mercuric ions using UV/vis spectroscopy was estimated to be ~ 0.4 ppm. The results presented herein may have an important implication in the development of a spectroscopic selective detection for mercuric ions in aqueous solution.

  7. Liquid electrolyte based on lithium bis-fluorosulfonyl imide salt: Aluminum corrosion studies and lithium ion battery investigations

    Energy Technology Data Exchange (ETDEWEB)

    Abouimrane, A.; Ding, J.; Davidson, I.J. [Institute for Chemical Process and Environmental Technology, National Research Council Canada, 1200 Montreal Road, Ottawa K1A 0R6 (Canada)

    2009-04-01

    The performance of a liquid electrolyte composed of lithium bis-fluorosulfonyl imide (LiSFI) in a 1:1 volume of ethylene carbonate and dimethyl carbonate is evaluated for use in lithium ion batteries. Imide salts offer the benefits of higher thermal stability and could provide a safer alternative to LiPF{sub 6} which is prone to the formation of HF. However, the most studied lithium imide salt, lithium bis(trifluoromethanesulfonyl) imide, is well known to have a problem with corrosion of aluminum which is commonly used as the cathode current collector. Consequently, the corrosion properties of liquid electrolytes based on lithium bis-fluorosulfonyl imide are also investigated. (author)

  8. Bis-phosphonate sequestering agents. Synthesis and preliminary evaluation for in vitro and in vivo uranium(VI) chelation

    Energy Technology Data Exchange (ETDEWEB)

    Sawicki, M.; Lecercle, D.; Taran, F. [CEA Saclay, IBiTecS, Serv Chim Bioorgan et Marquage, F-91191 Gif Sur Yvette (France); Grillon, G.; Le Gall, B.; Serandour, A.L.; Poncy, J.L. [CEA, DSV, DRR, Lab Radiotoxicol, F-91680 Bruyeres Le Chatel (France); Bailly, T.; Burgada, R.; Lecouvey, M.; Challeix, V. [CNRS, Lab Chim Struct Biomol, UMR 7033, F-93017 Bobigny (France); Leydier, A.; Pellet-Rostaing, S. [Univ Lyon 1, ICBMS, UMR 5246, Lab Catalyse et Synth Organ, F-69622 Villeurbanne (France); Ansoborlo, E. [CEA, DEN, DRCP, CETAMA, VRH Marcoule, F-30207 Bagnols Sur Ceze (France)

    2008-07-01

    A library of bis-phosphonate-based ligands was prepared using solution-phase parallel synthesis and tested for its uranium-binding properties. With the help of a screening method, based on a chromo-phoric complex displacement procedure, 23 dipodal and tripodal chelates bearing bis-phosphonate chelating functions were found to display very high affinity for the uranyl ion and were selected for evaluation of their in vivo uranyl-removal efficacy. Among them, 11 ligands induced a huge modification of the uranyl biodistribution by deviating the metal from kidney and bones to liver. Among the other ligands, the most potent was the dipodal bis-phosphonate 3C which reduced the retention of uranyl and increased its excretion by around 10% of the injected metal. (authors)

  9. Rational Design Synthesis and Evaluation of New Selective Inhibitors of Microbial Class II (Zinc Dependent) Fructose Bis-phosphate Aldolases

    Energy Technology Data Exchange (ETDEWEB)

    R Daher; M Coincon; M Fonvielle; P Gest; M Guerin; M Jackson; J Sygusch; M Therisod

    2011-12-31

    We report the synthesis and biochemical evaluation of several selective inhibitors of class II (zinc dependent) fructose bis-phosphate aldolases (Fba). The products were designed as transition-state analogues of the catalyzed reaction, structurally related to the substrate fructose bis-phosphate (or sedoheptulose bis-phosphate) and based on an N-substituted hydroxamic acid, as a chelator of the zinc ion present in active site. The compounds synthesized were tested on class II Fbas from various pathogenic microorganisms and, by comparison, on a mammalian class I Fba. The best inhibitor shows Ki against class II Fbas from various pathogens in the nM range, with very high selectivity (up to 105). Structural analyses of inhibitors in complex with aldolases rationalize and corroborate the enzymatic kinetics results. These inhibitors represent lead compounds for the preparation of new synthetic antibiotics, notably for tuberculosis prophylaxis.

  10. Biopsychological structure of Yin-Yang using Cloninger's Temperament model and Carver and White's BIS/BAS scale.

    Science.gov (United States)

    Lee, Soo Jin; Park, Soo Hyun; Chae, Han

    2016-01-01

    Introduction. The purpose of this study was to examine the psychological structure of Yin-Yang based on the Sasang Personality Questionnaire (SPQ) in relation to Carver and White's Behavior Inhibition/Behavior Activation System (BIS/BAS) Scale and Cloninger's temperament model of the West. Methods. A total of 188 university students were classified as high (30%), middle (40%), and low (30%) groups based on their SPQ score and their differences in Cloninger's temperaments and BIS/BAS subscales were analyzed using analysis of covariance after controlling the sex. Correlation among SPQ, Cloninger's four temperaments and BIS/BAS subscales was also examined. Results. Significant differences in BAS (F = 11.703, p cross-cultural psychobiological study of the East and West. PMID:27231654

  11. Ultrasound assisted N-bromosuccinimde catalyzed one pot condensation approach for synthesis of Bis(indolylmethanes from primary alcohols

    Directory of Open Access Journals (Sweden)

    Prakash Chhattise

    2016-07-01

    Full Text Available A simple, efficient protocol for one pot synthesis of bis(indolylmethanes from primary alcohols is investigated with N-bromosuccinimde as a catalyst under ultrasound irradiation. Alcohols can be converted into carbonyl compounds by removal of hydrogen in presence of N-bromosuccinimde as an oxidant and can react in situ with indole to give desired bis(indolylmethanes. In the reported one pot multicomponent condensation reaction N-bromosuccinimde promotes the oxidation of alcohol to aldehyde, facilitating the subsequent condensation with indole to afford bis(indolyl methanes in good to excellent yields. The inexpensiveness and easy handling are some of important feature of N-bromosuccinimde. The by-product N-succinimide can be easily recovered and recycled to N-bromosuccinimide.

  12. Rapid Electron Transport Phenomenon in the Bis(terpyridine) Metal Complex Wire: Marcus Theory and Electrochemical Impedance Spectroscopy Study.

    Science.gov (United States)

    Maeda, Hiroaki; Sakamoto, Ryota; Nishihara, Hiroshi

    2015-10-01

    The authors reported previously that bis(terpyiridne)iron(II) complex oligomer wires possess outstanding long-range intrawire electron transport ability. Here, molecular arrays of gold-electrode-bis(terpyridine)iron(II)-ferrocene are constructed by stepwise coordination as simple models of the oligomer wire system. The fast electron transfer between the terminal ferrocene and the gold electrode through the bis(terpyiridne)iron(II) complex unit is studied by potential step chronoamperometry (PSCA) and electrochemical impedance spectroscopy (EIS). Tafel plots derived from PSCA are analyzed based on Marcus theory. The plots reveal greater first-order electron transfer rate constant, weaker electronic coupling between the terminal ferrocene and the gold electrode, and smaller reorganization energy than shown by a conventional ferrocenylalkanethiol self-assembled monolayer. The electron transfer rate constants estimated by EIS agree with the PSCA results.

  13. Simple inorganic complexes but intricate hydrogen bonding networks: Synthesis and crystal structures of [MII(opda)2(NO3)2] (M = Zn and Cd; opda = orthophenylenediamine)

    Indian Academy of Sciences (India)

    Sabbani Supriya

    2009-03-01

    The compounds [ZnII{C6H4(NH2)2}2(NO3)2], (1) and [CdII{C6H4(NH2)2}2(NO3)2] (2) have been prepared (C6H4(NH2)2 = orthophenylenediammine = opda) and characterized by routine spectroscopic methods and single crystal X-ray diffraction analysis. Compound 1 crystallizes in orthorhombic space group , where as compound 2 crystallizes in monoclinic space 21/. In the crystal structure of 1 an extended hydrogen bonding network is formed involving zinc coordinated amines and nitrato ligands. The compound 2 consists of molecules in which the cadmium ion is eight coordinated, with two bidentate nitrate groups and two bidentate opda ligands. The geometry around the cadmium described as a distorted dodecahedron. The crystal structure of 2 shows an intricate hydrogen bonding network, formed by amine and nitro groups coordinated to cadmium.

  14. Development of [{sup 103}Pd]-labeled-bis(N{sup 4}-methylthiosemicarbazone) complexes as possible therapeutic agents

    Energy Technology Data Exchange (ETDEWEB)

    Jalilian, A.R.; Sadeghi, M.; Kamrani, Y.Y. [Cyclotron and Nuclear Medicine Dept., Nuclear Research Center for Agriculture and Medicine, Atomic Energy Organization of Iran, Karaj (Iran)

    2006-07-01

    Due to interesting tumor seeking properties of bis-thiosemicarbazones, two radio palladium-bis-thiosemicarbazone complexes, i.e., [{sup 103}Pd]-pyruvaldehyde-bis(N{sup 4}-methylthiosemicarbazone) ([{sup 103}Pd] PTSM) and [{sup 103}Pd]-diacetyl-bis(N{sup 4}-methylthiosemicarbazone) ([{sup 103}Pd]ATSM) were prepared according to the analogy of radio copper homologs. Palladium-103 (t{sub 1/2} = 16.96 d) was produced via the {sup 103}Rh(p, n){sup 103}Pd nuclear reaction with proton energy 18 MeV. The final activity was eluted in form of Pd(NH{sub 3}){sub 2}Cl{sub 2} in order to react with bis-thiosemicarbazones to yield [{sup 103}Pd]-labeled compounds. Chemical purity of the product was confirmed to be below the accepted limits by polarography. [{sup 103}Pd]-labeled bis-thiosemicarbazones were prepared with a radiochemical yield of more than 80% at room temperature after 60-90 min by vortexing a mixture of thiosemicarbazones and Pd activity in ethanol. The purification of the labeled compounds performed by reverse phase column chromatography using C{sub 18} plus Sep-Pak. Radiochemical purity of more than 99% specific activity of about 12500-13 000 Ci/mol was obtained. The stability of the complexes was checked in final product and presence of human serum at 37 C up to 48 h. The partition co-efficients of the final complexes were determined. The initial physico-chemical properties of the labeled compounds were compared to those of their copper homologues. (orig.)

  15. Coordination-Site Exchange and Solid-State *O1*O3C NMR Studies of Bis(oxalato)dioxovanadate(V) Ion

    DEFF Research Database (Denmark)

    Schaumburg, Kjeld; Lee, Man-Ho

    1992-01-01

    Coordination-site exchange, *O1*O3 C NMR, solid state *O1*O3C NMR, Bis(oxalato)dioxovanadate(V) ion......Coordination-site exchange, *O1*O3 C NMR, solid state *O1*O3C NMR, Bis(oxalato)dioxovanadate(V) ion...

  16. Carbon-Oxygen Bond Cleavage by Bis(imino)pyridine Iron Compounds : Catalyst Deactivation Pathways and Observation of Acyl C-O Bond Cleavage in Esters

    NARCIS (Netherlands)

    Trovitch, Ryan J.; Lobkovsky, Emil; Bouwkamp, Marco W.; Chirik, Paul J.

    2008-01-01

    Investigations into the substrate scope of bis(imino)pyridine iron-catalyzed hydrogenation and [2 pi + 2 pi]. diene cyclization reactions identified C-O bond cleavage as a principal deactivation pathway. Addition of diallyl or allyl ethyl ether to the bis(imino)pyridine iron dinitrogen complex, ((iP

  17. Process for manufacturing bis(2-methoxyethyl)-2,3,6,7-tetracyano-1,4,5,8,9,10-hexazaanthracene

    Science.gov (United States)

    Rasmussen, Paul George; Lawton, Richard Graham

    2014-06-03

    A process to manufacture substituted tetracyano-hexaazatricyclics with the substitutions occurring at the 9 and 10 hydrogens. The process begins with 2,3-dichloro-5,6-dicyanopyrazine, which is reacted to form the desired tetracyano-hexaazatricyclic. Different process embodiments enable different reaction paths to the desired tetracyano-hexaazatricyclic. Different tetracyano-hexaazatricyclic embodiments include bis(2-methoxyethyl)-2,3,6,7-tetracyano-1,4,5,8,9,10-hexazaanthracene and bis(2-methoxyethoxyethyl)-2,3,6,7-tetracyano-1,4,5,8,9,10-hexazaanthracen- e.

  18. Investigation of Keto-enol Tautomers during the Synthesis of Aryl-bis (2-hydroxy-1-naphthyl)Methanes

    Indian Academy of Sciences (India)

    Papia Dutta; Mrinal Saikia; Rashmi Jyoti Das; Ruli Borah

    2014-11-01

    This study investigated the existence of keto-enol tautomers for the first time during the synthesis of aryl-bis(2-hydroxy-1-naphthyl)methane from 2-naphthol and -tolualdehyde or 4-chlorobenzaldehyde in methanol using CuSO4.5H2O as catalyst under reflux condition. The exclusive formation of aryl-bis(2-hydroxy-1-naphthyl)methaneswas observed in dichloromethane at room temperature in the presence of BF3.OEt2/AcOH as catalyst. The keto productswere isolated and characterized by 1HNMR, 13C NMR, COSY and DEPTspectra.

  19. Estudio in vitro de la actividad citotóxica de resinas dentales tipo BIS-GMA

    OpenAIRE

    M. Ríos; Cepero, J.; Krael, R.; Davidenko, N.; González, A.

    2003-01-01

    Las resinas composites se emplean desde hace varias décadas en distintas aplicaciones estomatológicas, volviéndose indispensables para lograr una alta calidad en los servicios modernos. Uno de los monómeros acrílicos más utilizados en estos materiales poliméricos de recubrimiento es el 2-bis-[p-(2-hidroxi-3-metacriloxipropoxi) fenil] propano, conocido comúnmente como Bis- GMA. El conocimiento de las interacciones de estos materiales con el sistema biológico es de vital importan...

  20. Reaction of quinones and guanidine derivatives: simple access to bis-2-aminobenzimidazole moiety of benzosceptrin and other benzazole motifs.

    Science.gov (United States)

    Tran, Minh Quan; Ermolenko, Ludmila; Retailleau, Pascal; Nguyen, Thanh Binh; Al-Mourabit, Ali

    2014-02-01

    A new strategy for the synthesis of 2-aminobenzimidazol-6-ols via a reaction of quinones with guanidine derivatives is reported. Sequential application of this methodology provided a simple access to the first benzosceptrin analogue bearing a bis-2-aminoimidazole moiety. A concomitant addition of two guanidines to the naphtho[1',2':4,5]imidazo[1,2-a]pyrimidine-5,6-dione, which includes the redox neutral debenzylation and guanidine-assisted cleavage of the 2-aminopyrimidine part resulted in the synthesis of the free challenging contiguous bis-2-aminoimidazole moiety of benzosceprins in one step. PMID:24479902

  1. Comparison of the EEG-based SNAP index and the Bispectral (BIS) index during sevoflurane-nitrous oxide anaesthesia.

    Science.gov (United States)

    Ruiz-Gimeno, P; Soro, M; Pérez-Solaz, A; Carrau, M; Belda, F J; Jover, J L; Aguilar, G

    2005-12-01

    The BIS monitor (Aspect Medical Inc, Newton, USA) was the first electroencephalogram (EEG)-based monitor of the hypnotic effect reflected by a dimensionless figure ranging from 100 (awake state) to 0 (flat line EEG). Its widespread use makes it the most-studied and the best-known among same intended devices. Its algorithm processes low-frequency EEG oscillations in order to provide the Bispectral index. A BIS index ranging from 40 to 60 has been established as the proper for surgical performance. The BIS monitor permits a closer approach to the hypnotic component of anaesthesia beyond clinical signs and may reduce the probability of intraoperative awareness; therefore, it has become a recommended monitoring tool in routine practice. The SNAP monitor (Nicolet Biomedical, Madison WI, USA) is also intended for monitoring the hypnotic effect of anaesthetics, which is in turn displayed as an index ranging from 100 to 0, with 100 meaning a fully awake state and 0 meaning no brain activity. The algorithm of the SNAP monitor is featured by its additional processing of ultra-high EEG frequencies, which seem to be involved in the formation of consciousness. The use of these frequencies would theoretically improve responsiveness during increased brain activity. We studied its behaviour patterns and capability to monitor the hypnotic effect induced by sevoflurane-nitrous oxide by comparison with the BIS index. Seventy patients ASA I-III were induced with propofol, fentanyl and rocuronium, and maintained with sevoflurane-N(2)O. BIS and SNAP indices were simultaneously recorded before induction, after intubation, after incision, at the following 10, 30 and 50 minutes, awakening and extubation time points, together with heart rate and blood pressure. The Pearson correlation was R(2) = 0.68 (p < .05). The Bland and Altman test showed a bias of 14.3 for SNAP index values with respect to BIS index values. We concluded that the SNAP index correlates with variations in the hypnotic

  2. New Polyamides Based on Bis(p-amidobenzoic acid)-p-phenylene diacrylic acid and Hydantoin Derivatives: Synthesis and Characterization

    OpenAIRE

    FAGHIHI, Khalil

    2008-01-01

    Bis(p-amidobenzoic acid)-p-phenylene diacrylic acid (6) as a new monomer containing p-phenylenediacryloyl moiety was synthesized by using a 3-step reaction. At first p-phenylenediacrylic acid (3) was prepared by reaction of terephthal aldehyde (1) with malonic acid (2) in the presence of pyridine, and then diacid 3 was converted to p-phenylenediacryloyl chloride (4) by reaction with thionyl chloride. Finally bis(p-amidobenzoic acid)-p-phenylene diacrylic acid (6) was prepared by the ...

  3. Modification of diphenylamine-linked bis(oxazoline)ligands:Tuning of electronic effect and rigidity of ligand skeleton

    Institute of Scientific and Technical Information of China (English)

    LIU Han; LI Wei; DU DaMing

    2009-01-01

    The electronic effect of diphenylamine-linked bis(oxazoline) ligands was tuned through introduction of electron-withdrawing bromo and nitro substituents onto the 4 and 4' position.The variation of the NH bond acidity was determined by the different chemical shifts of NH.The catalytic activity and enantioselectivity of the modified ligands were tested in the asymmetric FriedeI-Crafts alkylation of indole with β-nitrostyrene.The effect of iigand skeleton rigidity was also investigated through the synthesis of iminodibenzyl-linked bis(oxazoline) ligands and evaluation of their catalytic activity in Friedel-Crafts alkylation.

  4. Modification of diphenylamine-linked bis(oxazoline) ligands: Tuning of electronic effect and rigidity of ligand skeleton

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    The electronic effect of diphenylamine-linked bis(oxazoline) ligands was tuned through introduction of electron-withdrawing bromo and nitro substituents onto the 4 and 4′ position. The variation of the NH bond acidity was determined by the different chemical shifts of NH. The catalytic activity and enantioselectivity of the modified ligands were tested in the asymmetric Friedel-Crafts alkylation of indole with β-nitrostyrene. The effect of ligand skeleton rigidity was also investigated through the synthesis of iminodibenzyl-linked bis(oxazoline) ligands and evaluation of their catalytic activity in Friedel-Crafts alkylation.

  5. Applying experimental constraints to a one-dimensional model for BiS2 superconductivity

    Science.gov (United States)

    Griffith, M. A.; Foyevtsova, K.; Continentino, M. A.; Martins, G. B.

    2016-10-01

    Recent ARPES measurements [Sugimoto et al., Phys. Rev. B 92 (2015) 041113] have confirmed the one-dimensional character of the electronic structure of CeO0.5 F0.5 BiS2, a representative of BiS2-based superconductors. In addition, several members of this family present sizable increase in the superconducting transition temperature Tc under application of hydrostatic pressure. Motivated by these two results, we propose an effective one-dimensional three-orbital model, whose kinetic energy part, obtained through ab initio calculations, is supplemented by pair-scattering terms, which are treated at the mean-field level. We solve the gap equations self-consistently and then systematically probe which combination of pair-scattering terms gives results consistent with experiment, namely, a superconducting dome with a maximum Tc at the right chemical potential and a sizable increase in Tc when the magnitude of the hoppings is increased. For these constraints to be satisfied multi-gap superconductivity is required, in agreement with experiments, and one of the hoppings has a dominant influence over the increase of Tc with pressure.

  6. Cobalt(II) complexes with bis(N-imidazolyl/benzimidazolyl) pyridazine: Structures, photoluminescent and photocatalytic properties

    Science.gov (United States)

    Li, Jin-Ping; Fan, Jian-Zhong; Wang, Duo-Zhi

    2016-07-01

    Six new CoII complexes [Co(L1)4(OH)2] (1), {[Co(L1)(H2O)4]·2ClO4}∞ (2), {[Co(L1)(H2O)4]·SiF6}∞ (3), {[Co(L1)3]·2ClO4}∞ (4), [Co(L2)Cl2]∞ (5) and {[Co(L2)2]·SiF6}∞ (6) [L1=3,6-bis(N-imidazolyl) pyridazine, L2=3,6-bis (N-benzimidazolyl) pyridazine] have been synthesized and characterized by elemental analysis, IR spectra and single crystal X-ray diffraction. Complex 1 has a mononuclear structure, while complexes 2 and 3 have 1-D chain structures. Considering the CoII centers were linked by the L1 ligands, the 3-D framework of complex 4 can be rationalized to be a {4^12.6^3} 6-c topological net with the stoichiometry uninodal net. 5 reveals a coordination 1-D zigzag chain structure consisting of a neutral chain [Co(L2)Cl2]n with the CoII centers. Complex 6 has a rhombohedral grid with a (4, 4) topology. The TGA property, fluorescent property and photocatalytic activity of complexes 1-6 have been investigated and discussed.

  7. Increased diversity of libraries from libraries: chemoinformatic analysis of bis-diazacyclic libraries.

    Science.gov (United States)

    López-Vallejo, Fabian; Nefzi, Adel; Bender, Andreas; Owen, John R; Nabney, Ian T; Houghten, Richard A; Medina-Franco, José L

    2011-05-01

    Combinatorial libraries continue to play a key role in drug discovery. To increase structural diversity, several experimental methods have been developed. However, limited efforts have been performed so far to quantify the diversity of the broadly used diversity-oriented synthetic libraries. Herein, we report a comprehensive characterization of 15 bis-diazacyclic combinatorial libraries obtained through libraries from libraries, which is a diversity-oriented synthetic approach. Using MACCS keys, radial and different pharmacophoric fingerprints as well as six molecular properties, it was demonstrated the increased structural and property diversity of the libraries from libraries over the individual libraries. Comparison of the libraries to existing drugs, NCI diversity, and the Molecular Libraries Small Molecule Repository revealed the structural uniqueness of the combinatorial libraries (mean similarity <0.5 for any fingerprint representation). In particular, bis-cyclic thiourea libraries were the most structurally dissimilar to drugs retaining drug-like character in property space. This study represents the first comprehensive quantification of the diversity of libraries from libraries providing a solid quantitative approach to compare and contrast the diversity of diversity-oriented synthetic libraries with existing drugs or any other compound collection.

  8. 17O-Dynamic NMR and DFT Investigation of Bis(acyloxyiodoarenes

    Directory of Open Access Journals (Sweden)

    Giovanni Cerioni

    2012-10-01

    Full Text Available Bis(acetoxyiodobenzene and related acyloxy derivatives of hypervalent I(III were studied by variable temperature solution-state 17O-NMR and DFT calculations. The 17O-NMR spectra reveal a dynamic process that interchanges the oxygen atoms of the acyloxy groups. For the first time, coalescence events could be detected for such compounds, allowing the determination of activation free energy data which are found to range between 44 and 47 kJ/mol. The analysis of the 17O linewidth measured for bis(acetoxyiodobenzene indicates that the activation entropy is negligible. DFT calculations show that the oxygen atom exchange arises as a consequence of the [1,3]-sigmatropic shift of iodine. The calculated activation barriers are in excellent agreement with the experimental results. Both the 17O-NMR and DFT studies show that the solvent and chemical alterations, such as modification of the acyl groups or para- substitution of the benzene ring, hardly affect the energetics of the dynamic process. The low I-O Wiberg bond index (0.41–0.42 indicates a possible explanation of the invariance of both the energy barrier and the 17O chemical shift with para-substitution.

  9. Vibrational spectra, normal coordinate analysis, and conformation of bis(ɑ-cyanoacetylacetonato)Cu(II)

    Science.gov (United States)

    Gandomi, Farzad; Vakili, Mohammad; Tayyari, Sayyed Faramarz

    2016-08-01

    Ab initio calculations, Natural Bond Orbital (NBO) and Atoms-in-Molecules (AIM) analyses, and Fourier transform Raman (3200-350 cm-1) and infrared (4000-200 cm-1) spectral measurements have been made for bis(α-cyanoacetylacetonato)Cu(II), Cu(CNacac)2. The molecular structure and vibrational spectra of Cu(CNacac)2 is compared with those of bis(acetylacetonato)Cu(II), Cu(acac)2. The molecular electronic energies and the equilibrium geometries for all theoretically possible conformations are calculated. A normal coordinate analysis of the vibrational modes has been computed for the most stable conformation of Cu(CNacac)2, D2h symmetry. A complete assignment of the observed band frequencies has been proposed. The metal-O bond strength was investigated by geometry calculations, NBO, AIM, and spectroscopic results to realize the effect of cyano substitution at α-position. All theoretical and vibrational spectroscopic studies confirm stronger metal-ligand bond in Cu(CNacac)2 than that in Cu(acac)2.

  10. Spectral properties of new N, N'-bis-alkyl-1,4,6,8-naphthalenediimide complexes

    Science.gov (United States)

    Refat, M. S.; Grabchev, I.; Chovelon, J.-M.; Ivanova, G.

    2006-05-01

    The photophysical properties of two N, N'-bis-alkyl-1,4,6,8-naphthalenediimide (DCN1 and DCN2) have been studied in chloroform and N, N-dimethylformamide solvents. The ability of DCN2 in N, N-dimethylformamide to detect metal cations have been monitored by the fluorescence emission spectroscopy. It has been shown that the fluorescent intensity is very sensitive to the concentration of Fe 3+ cations. The reaction of iodine with N, N'-bis-alkyl-1,4,6,8-naphthalenediimide in chloroform solution have been investigated by spectrophotometric method. The results indicate the formation of two CT-complexes [(DCN1)I] +·I 3- and [(DCN2)I] +·I 3- at donor:acceptor molar ratio of 1:2. The [(DCN1)I] +·I 3- shows the characteristic absorptions of I 3- ion at 290 and 360 nm while the charge-transfer transition of [(DCN2)I] +·I 3- occurs at 310 nm. Three characteristic bands at the far infrared region in each iodine complex are observed around 135, 105 and 85 cm -1 due to νas (I-I), νs (I-I) and δ (I 3-), respectively with C2v symmetry. The values of the complex formation constant, K, and the absorptivity, ɛ have been calculated.

  11. Synthesis and Characterisation of Bis-azido Methyl Oxetane and its Polymer and Copolymer with Tetrahydrofuran

    Directory of Open Access Journals (Sweden)

    J. K. Nair

    2002-04-01

    Full Text Available Bis-azido methyl oxetane (BAMO was synthesised from pentaerythritol in two steps. Pentaerythritol was chlorinated to yield a mixture of mono, di, tri and tetra chloro compounds. The trichloro compound on ring closure gives bis-chloro methyl oxetane (BCMO. It was reacted with sodium azide in aqueous medium to obtain BAMO. The latter was polymerised using BF3 etherate catalyst and 1,4-butanediol initiator. Similarly, the BAMO- THF copolymer was also synthesised. All the monomers and polymers were characterised by IR, 1H-NMR, 13C-NMR, and refractive index. The polymers were also characterised for molecular weight, hydroxyl value, etc. Thermal analysis showed that both polymers degrade exothermically with T max of 237 °C for poly BAMO and 241°C for BAMO- THF copolymer with activation energy of 39 kcal/mol and 40 kcal/mol, respectively. Explosive properties like impact and friction sensitivity of BAMO and the other polymers were also determined.

  12. Degradation of the blister agent sulfur mustard, bis(2-chloroethyl) sulfide, on concrete.

    Science.gov (United States)

    Brevett, Carol A S; Sumpter, Kenneth B; Wagner, George W; Rice, Jeffrey S

    2007-02-01

    The products formed from the degradation of the blister agent sulfur mustard [bis(2-chloroethyl) sulfide] on concrete were identified using gas chromatography with mass spectrometry detection (GC/MSD), (1)H NMR, 2D (1)H-(13)C NMR and (13)C solid state magic angle spinning (SSMAS) NMR. In situ and extraction experiments were performed. Sulfur mustard was detected in the in situ (13)C SSMAS samples for 12 weeks, whereas less than 5% of the sulfur mustard was detected in extracts from the concrete monoliths after 8 days. Sulfonium ions and (2-chloroethylthio)ethyl ether (T) were observed on the in situ samples after a period of 12 weeks, whereas vinyl species and bis(2-chloroethyl) sulfoxide were observed in the extracts of the concrete monoliths within 24h. The differences between the extraction and the SSMAS data indicated that the sulfur mustard existed in the concrete in a non-extractable form prior to its degradation. Extraction methods alone were not sufficient to identify the products; methods to identify the presence of non-extractable degradation products were also required.

  13. A tetrasilver(Iditungsten(VI cluster with sulfide and bis(diphenylphosphinomethane ligands

    Directory of Open Access Journals (Sweden)

    Cun-Lin Zhang

    2010-10-01

    Full Text Available The asymmetric unit of the title complex, [Ag4W2S8(C25H22P23]·2C3H7NO, tris[μ2-bis(diphenylphosphinomethane]-3:6κ2P:P′;4:5κ2P:P′;5:6κ2P:P′-μ5-sulfido-2:3:4:5:6κ5S-μ3-sulfido-1:3:4κ3S-tetra-μ2-sulfido-1:3κ2S;1:4κ2S;2:5κ2S;2:6κ2S-disulfido-1κS,2κS-tetrasilver(Iditungsten(VI N,N-dimethylformamide disolvate, contains two [WS4]2− anions, four silver cations, three bidentate–bridging bis(diphenylphosphinomethane (dppm ligands and two N,N-dimethylformamide (DMF solvent molecules. The coordination geometry of each Ag atom is distorted tetrahedral. Two Ag ions are coordinated by μ2-S and μ5-S atoms, and by two P atoms from two dppm ligands, while the other two Ag atoms are coordinated by μ2-S, μ3-S and μ5-S atoms, and by one P atom from a dppm ligand.

  14. Comparison of TPB and bis-MSB as VUV waveshifters in prototype LBNE photon detector paddles

    Science.gov (United States)

    Baptista, B.; Mufson, S.

    2013-12-01

    The Long-Baseline Neutrino Experiment (LBNE) Project is expected to provide facilities that will enable a program in neutrino physics that can measure fundamental physical parameters, explore physics beyond the Standard Model and better elucidate the nature of matter and anti-matter. The LBNE Photon Detection subsystem is primarily designed to detect the scintillation photons produced at 128 nm as ionizing particles traverse the liquid argon. The LBNE reference design for the photon detector subsystem uses adiabatic light guides consisting of cast acrylic bars whose surface is embedded with waveshifter to convert the Vacuum Ultraviolet (VUV) 128 nm photons into the optical bandpass of silicon photomultipliers (SiPMs). In this investigation, we describe comparative studies of two VUV waveshifters — TPB and bis-MSB. We find that bis-MSB is more efficient than TPB at 128 nm. We also find that the efficiency of converting VUV photons into the optical for both waveshifters rises from 170-200 nm. Studies of the long wavelength behavior of the waveshifters supports the result that the efficiency is rising.

  15. Bis-mixed-carbene ruthenium-thiolate-alkylidene complexes: synthesis and olefin metathesis activity.

    Science.gov (United States)

    Dahcheh, Fatme; Stephan, Douglas W

    2015-01-28

    A series of bis-carbene Ru-hydride species, including (IMes)(Im(OMe)2)(PPh3)RuHCl (1) and (SIMes)(Me2Im(OMe)2)(PPh3)RuHCl (2) were prepared and subsequently shown to react with aryl-vinyl-sulfides to give the bis-carbene-alkylidene complexes: Im(OMe)2(SIMes)RuCl(SR)(=CHCH3) (R = p-FC6H4 (3), p-(NO2)C6H4 (4)), Im(OMe)2(IMes)RuCl(=CHCH3)(SPh) (5), Me2Im(OMe)2(SIMes)RuCl(=CHCH3)(SPh) (6), Im(OMe)2(SIMes)(F5C6S)RuCl(=CHR) (R = C4H9 (9), C5H11 (10)). The activity of these species in the standard Grubbs' tests for ring-opening metathesis polymerization, ring-closing and cross-metathesis are reported. Although these thiolate derivatives are shown to exhibit modest metathesis activities, the reactivity is enhanced in the presence of BCl3.

  16. Metal Ion Enhanced Charge Transfer in a Terpyridine-bis-Pyrene System

    Directory of Open Access Journals (Sweden)

    Luisa De Cola

    2009-05-01

    Full Text Available The synthesis, electrochemical and photophysical properties of a branched molecule 3,5-bis(pyrene-1-yl-4'-phenyl-2,2':6',2''-terpyridine are reported. Spectroscopy in different solvents reveals that an optical electron transfer from the pyrene donor to the terpyridyl electron acceptor can occur in polar media, as the system displays both charge transfer (CT absorption and CT emission. Furthermore, the study of the zinc complex as well as the bis-protonated form shows an enhancement of the electron transfer character of the system, by an increase of the acceptor strength. This is accompanied by a large increase of the non-radiative processes. With sub-nanosecond transient absorption spectroscopy, the CT state, consisting of the pyrene radical cation and the terpyridine radical anion, has been detected. At room temperature, the study of the nanosecond transient absorption spectra reveals the formation of a low-lying triplet excited state that we attribute to the pyrene moiety through which the CT state decays. At 77K, the absence of the terpyridine triplet emission also suggests the population of a low-lying triplet state of the pyrene unit.

  17. Bis-isatin hydrazones with novel linkers: Synthesis and biological evaluation as cytotoxic agents.

    Science.gov (United States)

    Ibrahim, Hany S; Abou-Seri, Sahar M; Ismail, Nasser S M; Elaasser, Mahmoud M; Aly, Mohamed H; Abdel-Aziz, Hatem A

    2016-01-27

    Many bis-isatins and isatins with hydrazide extension were reported to have a potential anti-proliferative effects against different cancer cell lines and cancer targets. In this study, four series of bis-isatins with hydrazide linkers were synthesized. These compounds were investigated for their antitumor activity by assessing their cytotoxic potency against HepG2, MCF-7 and HCT-116 cancer cell lines. Compound 21c possessed significant cytotoxic activity against MCF-7 (IC50 = 1.84 μM) and HCT-116 (IC50 = 3.31 μM) that surpasses the activity of doxorubicin against both cell lines (MCF-7; IC50 = 2.57 μM and HCT-116; IC50 = 3.70 μM). Cell cycle analysis and annexin V-FITC staining of MCF-7 cells treated with 21c suggested that the cytotoxic effect of the compound could be attributed to its pro-apoptotic activity.

  18. Interaction of Bis-Zn(II) salphen complex with calf thymus-DNA

    Science.gov (United States)

    Yussof, Aida Mastura Binti Mohd; Karim, Nurul Huda Abd

    2014-09-01

    Metal salphen family has been extensively studied over the past few years and has been reported to be good DNA stabilizers due to its high binding affinity. Binding studies of metal complex with DNA are useful for understanding the interaction mechanism and to provide an insight about the application and design of a novel effective drug target to DNA. In this study, a bis-zinc (II) salphen metal complex derived from 4-methyl-2,6-diformylphenol and 1,2-diaminobenzene (H2L) via condensation reactions has been synthesised. The zinc(II) macrocyclic complex is characterised using standard spectroscopic and structural techniques such as 1H NMR spectroscopy and FTIR spectroscopy. The binding interaction between the synthesised metal complex with calf thymus-DNA (ct-DNA) has been investigated by preliminary UV/Vis DNA study. From the preliminary UV/Vis DNA study, it shows that Bis-Zn(II) salphen complex has interaction with ct-DNA.

  19. Efficiency of SPIONs functionalized with polyethylene glycol bis(amine) for heavy metal removal

    Science.gov (United States)

    Wanna, Yongyuth; Chindaduang, Anon; Tumcharern, Gamolwan; Phromyothin, Darinee; Porntheerapat, Supanit; Nukeaw, Jiti; Hofmann, Heirich; Pratontep, Sirapat

    2016-09-01

    Hybrid magnetic nanoparticles based on poly(methylmethacrylate) (PMMA) and super-paramagnetic iron oxide nanopaticles (SPIONs) with selective surface modification has been developed for heavy metal removal by applying external magnetic fields. The nanoparticles were prepared by the emulsion polymerization technique in an aqueous suspension of SPIONs. The hydrolysis of carboxyl functional group was then applied for grafting polyethylene glycol bis(amine)(PEG-bis(amine)) onto the PMMA-coated SPIONs. The morphology, the chemical structure and the magnetic properties of the grafted nanoparticles were investigated. The efficiency of the hybrid nanoparticles for heavy metal removal were conducted on Pb(II), Hg(II), Cu(II) and Co(II) in aqueous solutions.The metal concentration in the solutions after separation by the hybrid nanoparticles was determined by inductively coupled plasma optical emission spectrometer (ICP-OES). The results show the heavy metal uptake ratios of 0.08, 0.04, 0.03, and 0.01 mM per gramme of the grafted SPIONs for Pb(II), Hg(II), Cu(II), and Co(II), respectively. A competitive removal of Cu(II), Pb(II), Co(II) and Hg(II) ions in mixed metal salt solutions has also been studied.The heavy metal removal efficiency of the hybrid nanoparitcles was found to depend on the cation radius, in accordance with capture of metal ions by the amine group.

  20. A fluorescent bis(benzoxazole) ligand: toward binuclear Zn(II)-Zn(II) assembly.

    Science.gov (United States)

    Chu, Qinghui; Medvetz, Doug A; Panzner, Matthew J; Pang, Yi

    2010-06-14

    A bis(benzoxazole) ligand (HL) has been synthesized, and its reaction with Zn(OAc)(2) has led to fluorescent complexes via formation of binuclear Zn(II)-Zn(II) cores. The ligand-to-metal ratio of the complexes varies from 1 : 1 to 2 : 1, depending on the reaction conditions. A large binding constant K = 8.3 x 10(20) [M(-3)] has been determined for the reaction L + Zn(2+)-->L(2):Zn(2)(2+). The result indicates that the bis(benzoxazole) ligand is a useful building block to construct a binuclear core. On the basis of X-ray analysis, the binuclear Zn(II)-Zn(II) distance in the complexes is determined to be approximately 3.22 A, which is quite comparable to that found in the enzymes (3.3 A). Absorption and fluorescence study shows that a subtle chemical environmental change within the binuclear core can induce a large optical response.

  1. Bis-mixed-carbene ruthenium-thiolate-alkylidene complexes: synthesis and olefin metathesis activity.

    Science.gov (United States)

    Dahcheh, Fatme; Stephan, Douglas W

    2015-01-28

    A series of bis-carbene Ru-hydride species, including (IMes)(Im(OMe)2)(PPh3)RuHCl (1) and (SIMes)(Me2Im(OMe)2)(PPh3)RuHCl (2) were prepared and subsequently shown to react with aryl-vinyl-sulfides to give the bis-carbene-alkylidene complexes: Im(OMe)2(SIMes)RuCl(SR)(=CHCH3) (R = p-FC6H4 (3), p-(NO2)C6H4 (4)), Im(OMe)2(IMes)RuCl(=CHCH3)(SPh) (5), Me2Im(OMe)2(SIMes)RuCl(=CHCH3)(SPh) (6), Im(OMe)2(SIMes)(F5C6S)RuCl(=CHR) (R = C4H9 (9), C5H11 (10)). The activity of these species in the standard Grubbs' tests for ring-opening metathesis polymerization, ring-closing and cross-metathesis are reported. Although these thiolate derivatives are shown to exhibit modest metathesis activities, the reactivity is enhanced in the presence of BCl3. PMID:25462569

  2. Synthesis, characterization, optical and electrical properties of bis(phenylvinyl)anthracene-based polymers

    Science.gov (United States)

    Mansour, Nadia; Hriz, Khaled; Jaballah, Nejmeddine; Kreher, David; Majdoub, Mustapha

    2016-08-01

    A series of bis(phenylvinyl)anthracene-based polymers containing different lengths of polar ethylene glycol groups in the main chain (P1-3) were efficiently synthesized by Wittig polycondensation. These polymers are fully soluble in volatile solvents, which helped a lot to obtain high quality films. Moreover, these semi-conducting materials exhibited semi-crystalline morphology with relatively high glass transition temperature. In this article, the UV-visible absorption and fluorescence properties of P1-3 were studied consequently both in solution and as thin solid film: tan absorption-onset at 433 nm was observed and all these bis(phenylvinyl)anthracene-based polymers (P1-3) show a blue emission in solution, fluorescence quantum efficiencies being respectively 52% for P1, 75% for P2 and 67% for P3. In addition, the HOMO/LUMO energy levels were evaluated by cyclic voltammetry measurements and indicate a p-type semi-conducting materials. Finally, the electrical properties of P1-3 were investigated by recording current-tension characteristics and these experimental results were modeled by the current space-charge-limited (SCLC) mechanism.

  3. Gelation or molecular recognition; is the bis-(α,β-dihydroxy esters motif an omnigelator?

    Directory of Open Access Journals (Sweden)

    Peter C. Griffiths

    2010-11-01

    Full Text Available Understanding the gelation of liquids by low molecular weight solutes at low concentrations gives an insight into many molecular recognition phenomena and also offers a simple route to modifying the physical properties of the liquid. Bis-(α,β-dihydroxy esters are shown here to gel thermoreversibly a wide range of solvents, raising interesting questions as to the mechanism of gelation. At gelator concentrations of 5–50 mg ml−1, gels were successfully formed in acetone, ethanol/water mixtures, toluene, cyclohexane and chloroform (the latter, albeit at a higher gelator concentration. A range of neutron techniques – in particular small-angle neutron scattering (SANS – have been employed to probe the structure of a selection of these gels. The universality of gelation in a range of solvent types suggests the gelation mechanism is a feature of the bis-(α,β-dihydroxy ester motif, with SANS demonstrating the presence of regular structures in the 30–40 Å range. A correlation between the apparent rodlike character of the structures formed and the polarity of the solvent is evident. Preliminary spin-echo neutron scattering studies (SESANS indicated the absence of any larger scale structures. Inelastic neutron spectroscopy (INS studies demonstrated that the solvent is largely unaffected by gelation, but does reveal insights into the thermal history of the samples. Further neutron studies of this kind (particularly SESANS and INS are warranted, and it is hoped that this work will stimulate others to pursue this line of research.

  4. Effects of the behavioral inhibition system (BIS), behavioral activation system (BAS), and emotion regulation on depression: A one-year follow-up study in Chinese adolescents.

    Science.gov (United States)

    Li, Yanzhang; Xu, Yun; Chen, Zi

    2015-12-15

    Depression is a worldwide mental health problem among adolescents. The current study aimed to examine the roles of the behavioral inhibition system (BIS), behavioral activation system (BAS), and emotion regulation on adolescent depression. A total of 330 Chinese adolescents were recruited to complete initial assessments of BIS/BAS, emotion regulation, and depression, with a follow-up after one year. Depression on these two occasions was positively correlated with gender, age, initial scores of BIS/BAS activity, and with Cognitive Emotion Regulation Questionnaire scores for self-blame, rumination, putting into perspective, catastrophizing, and blaming others, and negatively correlated with initial positive reappraisal scores. Structural equation modeling demonstrated that higher BIS activity, catastrophizing, rumination, and lower positive reappraisal predicted depression after one year. However, after controlling for initial depression, these variables were indirectly related to subsequent depression. Implications are discussed for assessments of depression and interventions targeted at the BIS, BAS, and emotion regulation.

  5. Preparation and characterization of Bis-GMA free dental resin system with synthesized dimethacrylate monomer TDDMMA derived from tricyclo[5.2.1.0(2,6)]-decanedimethanol.

    Science.gov (United States)

    Yin, Mei; Liu, Fang; He, Jingwei

    2016-04-01

    As a substitute for 2,2-bis[4-(2-hydroxy-3- methacryloxypropoxy)phenyl] propane (Bis-GMA) in dental materials, a new dimethacrylate monomer TDDMMA without bisphenol-A structure was synthesized through the reaction between tricyclo[5.2.1.0(2,6)]- decanedimethanol and 2-isocyanatoethyl methacrylate. The TDDMMA was mixed with triethylene glycol dimethacrylate (TEGDMA) to prepare Bis-GMA free dental resin. Physicochemical properties, such as double bond conversion (DC), polymerization shrinkage (VS), water sorption (WS) and solubility (SL), flexural strength (FS) and modulus (FM) and fracture energy of TDDMMA/TEGDMA resin system were investigated. Bis-GMA/TEGDMA resin system was used as a control. The results showed that, compared with Bis-GMA/TEGDMA resin system, TDDMMA/TEGDMA resin system had comparable VS and several advantages like higher DC, lower SL and better mechanical properties after water immersion.

  6. BIS kompakt

    OpenAIRE

    2013-01-01

    Literaturforum Bibliothek – Autoren aus Sachsen in sächsischen Bibliotheken // Bibliotheksinformatik studieren an der HTWK Leipzig // Erste Hochzeit in der SLUB // Bibliotheksbesuch im Wohnzimmer // Dankeschön für Ehrenamt in der SLUB // Bellevue Forum: „Ich will Europa – mitgestalten“ // Goobi TOP 5 beim dbb Innovationspreis // Gute Geschäfte – gute Idee // Erste „Lange Nacht der aufgeschobenen Hausarbeiten“ an der Universitätsbibliothek Freiberg // Bundesumweltminister Peter Altmaier diskut...

  7. Non-covalent interactions between {N,N′-bis[(2-pyridinyl)methylene]-1, 2-benzenediamine]-bis(nitrato)}Cu(II) with pyridoxine hydrochloride in methanol at T = (298.15, 308.15 and 318.15) K

    International Nuclear Information System (INIS)

    Highlights: • Methanolic solution of pyridoxine hydrochloride used as solvent. • {N,N′-bis[(2-pyridinyl)methylene]-1, 2-benzenediamine]-bis(nitrato)}Cu(II) used as solute. • Partial molar volumes and viscosity B-coefficients of the solute were determined. • Weak 1:1 association between the complex and pyridoxine hydrochloride found. • Non-covalent interactions and Cu(II) complex acts as a net structure maker in the ternary solutions. - Abstract: Non-covalent interactions between of {N,N′-bis[(2-pyridinyl)methylene]-1, 2-benzenediamine]-bis(nitrato)}Cu(II) with pyridoxine hydrochloride in methanol were investigated by a combination of physico-chemical and spectrophotometric methods at T = (298.15, 308.15 and 318.15) K under ambient pressure. From measured density and viscosity data the apparent molar volume (ϕV), the slope (SV∗), standard partial molar volume (ϕV0), standard transfer volume (ΔtϕV0), isobaric apparent molar expansibility (ϕE), standard isobaric partial molar expansibility (ϕE0), the viscosity B-coefficient, its temperature derivative (∂B/∂T), solvation number (Sn) were calculated and discussed on the basis of specific or non-specific (solute + cosolute) and (solute + solvent) interactions. Thermodynamics of viscous flow were discussed on the basis of the transition state theory. Spectrophotometric results indicated 1:1 (solute + cosolute) interaction between the complex and pyridoxine hydrochloride

  8. Preparation, crystal structure and luminescent properties of the (6,3) type network supramolecular lanthanide picrate complexes with 2,2'-[(1,2-naphthalene)bis(oxy)]bis[N-(phenylmethyl)]acetamide

    International Nuclear Information System (INIS)

    Solid complexes of lanthanide picrates with a new podand-type ligand, 2,2'-[(1,2-naphthalene)bis(oxy)]bis[N-(phenylmethyl)]acetamide (L) have been prepared and characterized by elemental analysis, conductivity measurements, IR and electronic spectroscopies. The crystal and molecular structures of the coordination polymer {[Eu2L3(Pic)6].(CHCl3)3.(H2O)0.5}n have been determined by single-crystal X-ray diffraction, and the structure displays a two-dimensional honeycomb-like framework in the ab plane, which can be regarded as a (6,3) topological network with europium atoms acting as 'three-connected' centers. Furthermore, the coordination layers are linked by the intermolecular hydrogen bonds to form a three-dimensional (3-D) netlike supermolecule. Under excitation, Eu complex exhibited characteristic emissions. The lowest triplet state energy level of the ligand indicates that the triplet state energy level of the ligand matches better to the resonance level of Eu(III) than Tb(III) ion. - Graphical abstract: The (6,3) type network supramolecular luminescent lanthanide picrate complexes {Ln2L3(Pic)6}n (L=2,2'-[(1,2-naphthalene)bis(oxy)]bis[N-(phenylmethyl)]acetamide) displaying a two-dimensional honeycomb-like framework have been designed and prepared.

  9. Bis(μ-2-carboxymethyl-2-hydroxybutanedioatobis[diaquamanganese(II]–1,2-bis(pyridin-4-ylethene–water (1/1/2

    Directory of Open Access Journals (Sweden)

    In Hong Hwang

    2012-12-01

    Full Text Available The asymmetric unit of the title compound, [Mn2(C6H6O72(H2O4]·C12H10N2·2H2O, contains half of the centrosymmetric Mn complex dimer, half of a 1,2-bis(pyridin-4-ylethene molecule, which lies across an inversion center, and one water molecule. Two citrate ligands bridge two MnII ions, and each MnII atom is coordinated by four O atoms from the citrate ligands (one from hydroxy and three from carboxylate groups and two water O atoms, forming a distorted octahedral environment. In the crystal, O—H...O and O—H...N hydrogen bonds link the centrosymmetric dimers and lattice water molecules into a three-dimensional structure which is further stabilized by intermolecular π–π interactions [centroid–centroid distance = 3.959 (2 Å]. Weak C—H...O hydrogen bonding interactions are also observed.

  10. Bis(μ-3-carboxy-2-hydroxypropane-1,2-dicarboxylatobis(diaquazinc–1,2-bis(pyridin-4-ylethene–water (1/1/2

    Directory of Open Access Journals (Sweden)

    In Hong Hwang

    2012-10-01

    Full Text Available The asymmetric unit of the title compound, [Zn2(C6H6O72(H2O4]·C12H10N2·2H2O, comprises half of a centrosymmetric complex dimer, half of a 1,2-bis(pyridin-4-ylethene molecule, which lies across an inversion centre, and one lattice water molecule. Carboxylate groups of two dianionic citrate ligands bridge two ZnII ions to give the cyclic dimer, with each ZnII ion coordinated by four O atoms from the chelating citrate ligand (one hydroxy and three carboxylate, with one bridging and two water O atoms, forming a distorted octahedral environment [Zn—O = 2.040 (3–2.244 (3 Å]. In the crystal, O—H...O and O—H...N hydrogen bonds involving hydroxy groups and both coordinating and lattice water molecules link the dimers to give a three-dimensional framework structure.

  11. Characterization of Heat-Set Gels from RuBisCO in Comparison to Those from Other Proteins

    NARCIS (Netherlands)

    Martin, A.H.; Nieuwland, M.; Jong, G.A.H. de

    2014-01-01

    To anticipate a future shortage in functional proteins, it is important to study the functionality of new alternative protein sources. Native RuBisCO was extracted from spinach, and its gelation behavior was compared to other native proteins from animal and plant origins. Protein gels were analyzed

  12. Proteomic analysis of mouse thymoma EL4 cells treated with bis (tri-n-butyltin)oxide (TBTO)

    NARCIS (Netherlands)

    Osman, A.M.; Kol, S.; Peijnenburg, A.A.C.M.; Blokland, M.H.; Pennings, J.L.A.; Kleinjans, J.C.S.; Loveren, van H.

    2009-01-01

    Here, we report the results of proteomic analysis of the mouse thymoma EL4 cell line exposed to bis(tri-n-butylin)oxide (TBTO), an immunotoxic organotin compound. The objective of the work was to examine whether TBTO affects the expression of proteins in this cell line and to compare the differentia

  13. Copper(II) bis(thiosemicarbazone) complexes as potential tracers for evaluation of cerebral and myocardial blood flow with PET

    International Nuclear Information System (INIS)

    Wider application of positron emission tomography would be facilitated by the availability of positron-emitting radiopharmaceuticals labeled with nuclides, like 62Cu, that are available from parent/daughter generator systems. Using a longer-lived copper isotope (67Cu) we have examined three derivatives of copper(II) pyruvaldehyde bis(thiosemicarbazone) as potential tracers for evaluation of cerebral and myocardial blood flow: Cu(PTS), Cu(PTSM), and Cu(PTSM2) (where PTS = pyruvaldehyde bis(thiosemicarbazone), PTSM = pyruvaldehyde bis(N4-methylthiosemicarbazone), and PTSM2 = pyruvaldehyde bis(N4-dimethylthiosemicarbazone). All three lipophilic radiocopper complexes were obtained in high yield via a procedure that could be adapted to a ''kit'' formulation. In animal model systems Cu(PTSM) and Cu(PTSM2) show excellent uptake in the brain and heart following i.v. injection. These tracers differ in that Cu(PTSM) exhibits microsphere-like retention in the brain and heart, whereas Cu(PTSM2) substantially clears from these organs. The relative cerebral pharmacokinetics of [67Cu]Cu(PTSM) and [67Cu]Cu(PTSM2) are consistent with their known reactivity towards intracellular sulfhydryl groups

  14. Preparation and evaluation of copper-67 labeled copper(II) bis(thiosemicarbazone) derivatives as potential blood flow tracers

    International Nuclear Information System (INIS)

    A series of bis(thiosemicarbazone) derivatives of diketones and dialdehydes has been synthesized and labelled with copper-67. The biodistributions of these complexes in rats has been determined following femoral vein injection. Brain and heart levels of the complexes were determined at elapsed times of 1 minute, 5 minutes, and 2 hours as a function of % injected dose per organ

  15. Copper(II) bis(thiosemicarbazone) complexes as potential tracers for evaluation of cerebral and myocardial blood flow with PET

    Energy Technology Data Exchange (ETDEWEB)

    Green, M.A.; Klippenstein, D.L.; Tennison, J.R.

    1988-09-01

    Wider application of positron emission tomography would be facilitated by the availability of positron-emitting radiopharmaceuticals labeled with nuclides, like /sup 62/Cu, that are available from parent/daughter generator systems. Using a longer-lived copper isotope (/sup 67/Cu) we have examined three derivatives of copper(II) pyruvaldehyde bis(thiosemicarbazone) as potential tracers for evaluation of cerebral and myocardial blood flow: Cu(PTS), Cu(PTSM), and Cu(PTSM2) (where PTS = pyruvaldehyde bis(thiosemicarbazone), PTSM = pyruvaldehyde bis(N4-methylthiosemicarbazone), and PTSM2 = pyruvaldehyde bis(N4-dimethylthiosemicarbazone). All three lipophilic radiocopper complexes were obtained in high yield via a procedure that could be adapted to a ''kit'' formulation. In animal model systems Cu(PTSM) and Cu(PTSM2) show excellent uptake in the brain and heart following i.v. injection. These tracers differ in that Cu(PTSM) exhibits microsphere-like retention in the brain and heart, whereas Cu(PTSM2) substantially clears from these organs. The relative cerebral pharmacokinetics of (/sup 67/Cu)Cu(PTSM) and (/sup 67/Cu)Cu(PTSM2) are consistent with their known reactivity towards intracellular sulfhydryl groups.

  16. Reactivity studies of pincer bis-protic N-heterocyclic carbene complexes of platinum and palladium under basic conditions.

    Science.gov (United States)

    Marelius, David C; Moore, Curtis E; Rheingold, Arnold L; Grotjahn, Douglas B

    2016-01-01

    Bis-protic N-heterocyclic carbene complexes of platinum and palladium (4) yield dimeric structures 6 when treated with sodium tert-butoxide in CH2Cl2. The use of a more polar solvent (THF) and a strong base (LiN(iPr)2) gave the lithium chloride adducts monobasic complex 7 or analogous dibasic complex 8. PMID:27559382

  17. Synthesis of Dendrimer-supported Chiral Bis(oxazoline) Ligands and Their Applications in Aldol Reaction via Aqueous Media

    Institute of Scientific and Technical Information of China (English)

    CHEN Xiao-min; YANG Bai-yuan; ZHANG Yi-li; QU Xue; FAN Qing-hua

    2004-01-01

    Chiral bis(oxazoline) ligands have been applied in many enatioselective reactions.Recently, studies of the immobilization of bis(oxazoline) on both soluble and insoluble supports have been of great interest. Among the different methods to anchor the homogeneous catadysts, a soluble, polymer-supported catalyst usually achieves higher stereoselectivity and activity because the catalysis can be separated and recycled via simple methods such as solvent precipitation.Dendrimers are highly branched macromolecules having precisely defined molecular structures with nano-scale size. Compared with soluble polymer supports, the dendrimer architecture may offer better control of the deposition of the catalytic species in soluble polymer-based catalysts. Therefore,such catalysts may fill the gap between homogeneous and heterogeneous catalysis and combine the advantages of both.In this paper, we report the synthesis of bis(oxazoline)-centered dendrimers and their application in Mukaiyama aldol reaction in aqueous media. It was found that the dendritic chiral bis(oxazolines)showed the similar reactivities and enantioselectivities in the asymmetric copper-catalyzed aldol reaction in aqueous media in comparison to the corresponding small molecular ligands.

  18. Reactivity studies of pincer bis-protic N-heterocyclic carbene complexes of platinum and palladium under basic conditions

    Science.gov (United States)

    Marelius, David C; Moore, Curtis E; Rheingold, Arnold L

    2016-01-01

    Summary Bis-protic N-heterocyclic carbene complexes of platinum and palladium (4) yield dimeric structures 6 when treated with sodium tert-butoxide in CH2Cl2. The use of a more polar solvent (THF) and a strong base (LiN(iPr)2) gave the lithium chloride adducts monobasic complex 7 or analogous dibasic complex 8. PMID:27559382

  19. A Novel Greenish Blue-emitting Amorphous Molecular Material:2,5-Bis {4- [2-naphthyl (phenyl) amino] phenyl} thiophene

    Institute of Scientific and Technical Information of China (English)

    刘平; 童真

    2001-01-01

    A novel greenish blue-emitting amorphous molecular material,2,5-bis{4-[2-naphthyl(phenyl) amino] phenyl} thiophene (BNpA-1T), was designed and synthesized. Its molecular properties, glass-forming property, and application to an organic EL device were investigated.

  20. Organotrifluoroborates as attractive self-assembling systems: the case of bifunctional dipotassium phenylene-1,4-bis(trifluoroborate).

    Science.gov (United States)

    Falcicchio, Aurelia; Nilsson Lill, Sten O; Perna, Filippo M; Salomone, Antonio; Coppi, Donato I; Cuocci, Corrado; Stalke, Dietmar; Capriati, Vito

    2015-12-01

    The first structure of an aromatic bis(trifluoroborate) dipotassium salt, elucidated by the combination of crystallography, DFT calculations, topological and non-covalent interaction analysis, discloses a 3D network undergoing spontaneous self-assembly thanks to the massive participation of weak intra- and intermolecular interactions for which fluorine atoms proved to play a leading role. PMID:26154065

  1. 40 CFR 721.5780 - Phenol, 4,4′-(oxybis(2,1-ethanediylthio)bis-.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Phenol, 4,4â²-(oxybis(2,1... Specific Chemical Substances § 721.5780 Phenol, 4,4′-(oxybis(2,1-ethanediylthio)bis-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance phenol,...

  2. Multi-level approach to anaesthetic effects produced by sevoflurane or propofol in humans : 1. BIS and blink reflex

    NARCIS (Netherlands)

    Mourisse, J.; Lerou, J.; Struys, M.; Zwarts, M.; Booij, L.

    2007-01-01

    Background. The relative roles of forebrain and brainstem in producing adequate anaesthesia are unclear. Methods. We simultaneously analysed the effects of sevoflurane (Group S; n = 18) or propofol (Group P; n = 29) on the bispectral index (BIS) and the first component of the blink reflex (RI). The

  3. An expendient method for the synthesis of bis(acylhydrazones) under microwave irradiation in solvent-free medium

    Energy Technology Data Exchange (ETDEWEB)

    Li, J.P.; Zheng, P.Z.; Zhu, J.G.; Liu, R.J.; Qu, G.R. [Henan Normal University, Xinxiang (China). College of Chemical and Environmental Science. Key Lab. of Environmental Pollution Control Technology of Henan Province]. E-mail: jplig@163.com

    2007-10-15

    A simple, efficient and eco-friendly method for the synthesis of bis(acylhydrazones) from hexanediohydrazide and aldehydes under microwave irradiation without the use of solvent and catalyst is reported. The technique of microwave irradiation under solvent-free condition proved to be quite a valuable method in organic synthesis. (author)

  4. New iron pyridylamino-bis(phenolate) catalyst for converting CO2 into cyclic carbonates and cross-linked polycarbonates

    NARCIS (Netherlands)

    Taherimehr, Masoumeh; Sertã, João Paulo C.ardoso Costa; Kleij, Arjan W.; Whiteoak, Christopher J.; Pescarmona, Paolo P.

    2015-01-01

    The atom-efficient reaction of CO2 with a variety of epoxides has been efficiently achieved employing iron pyridylamino-bis(phenolate) complexes as bifunctional catalysts. The addition of a Lewis base co-catalyst allowed significant reduction in the amount of iron complex needed to achieve high epox

  5. Scope and limitations of chiral bis(oxazoline) ligands in the copper-catalysed asymmetric cyclopropanation of trisubstituted alkenes

    DEFF Research Database (Denmark)

    Østergaard, N.; Jensen, Jakob Feldthusen; Tanner, David Ackland

    2001-01-01

    A series of derivatives of 3-methyl-2-buten-1-ol has been used to test the scope and limitations of the copper-catalysed asymmetric cyclopropanation of trisubstituted alkenes by ethyl diazoacetate in the presence of C-2-symmetric bis(oxazoline) ligands. In the best case, a trans/cis ratio of 91...

  6. Zirconium and Titanium Propylene Polymerization Precatalysts Supported by a Fluxional C 2 -Symmetric Bis(anilide)pyridine Ligand

    KAUST Repository

    Tonks, Ian A.

    2012-03-12

    Titanium and zirconium complexes supported by a bis(anilide)pyridine ligand (NNN = pyridine-2,6-bis(N-mesitylanilide)) have been synthesized and crystallographically characterized. C 2-symmetric bis(dimethylamide) complexes were generated from aminolysis of M(NMe 2) 4 with the neutral, diprotonated NNN ligand or by salt metathesis of the dipotassium salt of NNN with M(NMe 2) 2Cl 2. In contrast to the case for previously reported pyridine bis(phenoxide) complexes, the ligand geometry of these complexes appears to be dictated by chelate ring strain rather than metal-ligand π bonding. The crystal structures of the five-coordinate dihalide complexes (NNN)MCl 2 (M = Ti, Zr) display a C 1-symmetric geometry with a stabilizing ipso interaction between the metal and the anilido ligand. Coordination of THF to (NNN)ZrCl 2 generates a six-coordinate C 2-symmetric complex. Facile antipode interconversion of the C 2 complexes, possibly via flat C 2v intermediates, has been investigated by variable-temperature 1H NMR spectroscopy for (NNN)MX 2(THF) n (M = Ti, Zr; X = NMe 2, Cl) and (NNN)Zr(CH 2Ph) 2. These complexes were tested as propylene polymerization precatalysts, with most complexes giving low to moderate activities (10 2-10 4 g/(mol h)) for the formation of stereoirregular polypropylene. © 2012 American Chemical Society.

  7. Preparation and Bioavailability Analysis of Ferrous Bis Alanine Chelate as a New Micronutrient for Treatment of Iron Deficiency Anemia

    Science.gov (United States)

    Zargaran, Marzieh; Saadat, Ebrahim; Dinarvand, Rassoul; Sharifzadeh, Mohammad; Dorkoosh, Farid

    2016-01-01

    Purpose: One of the most nutritional disorders around the world is iron deficiency. A novel iron compound was synthesized by chelating ferrous ions with alanine for prevention and treatment of iron deficiency anemia. Methods: The newly synthesized compound was characterized both qualitatively and quantitatively by Fourier Transform Infrared (FT-IR) spectroscopy. The bioavailability of newly synthesized iron micronutrient was evaluated in four groups of Wistar rats. The group I was a negative control group and the other three groups received three different iron formulations. After 14 days, the blood samples were taken and analyzed accordingly. Results: Calculations showed that more than 91.8% of iron was incorporated in the chelate formulation. In vivo studies showed that serum iron, total iron binding capacity and hemoglobin concentrations were significantly increased in group IV, which received ferrous bis alanine chelate compared with the negative control group (p<0.05) and also group II, which received ferrous sulfate.7H2O (p<0.05). It indicates that the new formulation considerably improves the blood iron status compared with the conventional iron compounds. There were no significant differences (p<0.05) in the serum iron between group IV and group III, which received ferrous bis glycine. Conclusion: The results showed better bioavailability of ferrous bis alanine as a new micronutrient for treatment of iron deficiency anemia in comparison with ferrous sulfate. Ferrous bis alanine could be considered as a suitable supplement for prevention and treatment of iron deficiency anemia.

  8. 15 CFR 711.8 - How to request authorization from BIS to make electronic submissions of declarations or reports.

    Science.gov (United States)

    2010-01-01

    ... 15 Commerce and Foreign Trade 2 2010-01-01 2010-01-01 false How to request authorization from BIS to make electronic submissions of declarations or reports. 711.8 Section 711.8 Commerce and Foreign Trade Regulations Relating to Commerce and Foreign Trade (Continued) BUREAU OF INDUSTRY AND...

  9. A comparative Study of C2-Symmetric Bis(aziridine) Ligands in Some Transition Metal-Mediated Asymmetric Transformations

    DEFF Research Database (Denmark)

    Tanner, David Ackland; Johansson, Fredrik; Harden, Adrian;

    1998-01-01

    A comparative study has been made of the performance of differently substituted Ca-symmetric bis(aziridine) ligands in a variety of metal-mediated asymmetric reactions. The metals studied were osmium (dihydroxylation), palladium (allylic alkylation) and copper (cyclopropanation and aziridination)...

  10. Enzymatic Synthesis of Biobased Polyesters Using 2,5-Bis(hydroxymethyl)furan as the Building Block

    NARCIS (Netherlands)

    Jiang, Yi; Woortman, Albert J. J.; Alberda van Ekenstein, Gerhard; Petrovic, Dejan M.; Loos, Katja

    2014-01-01

    2,5-Bis(hydroxymethyl)furan is a highly valuable biobased rigid diol resembling aromatic monomers in polyester synthesis. In this work, it was enzymatically polymerized with various diacid ethyl esters by Candida antarctica Lipase B (CALB) via a three-stage method. A series of novel biobased furan p

  11. Physical-mechanical properties of Bis-EMA based root canal sealer with different fillers addition

    Directory of Open Access Journals (Sweden)

    Marcela Oliveira de Souza

    2015-01-01

    Full Text Available Aim: To evaluate influence of three different filler particles on an experimental Bisphenol A ethoxylated dimethacrylate (Bis-EMA based root filling material. Materials and Methods: Resin-based endodontic sealers were produced using Bis-EMA, camphorquinone, ethyl 4-dimethylaminobenzoate (EDAB, N, N-dihydroxyethyl-p-toluidine (DHEPT, butylated hydroxytoluene (BHT, and benzoyl peroxide. The experimental groups were formulated adding 10, 20, 30, 40, and 50% of calcium tungstate (CaWO 4 , ytterbium trifluoride(YbF 3 , and tantalum oxide(Ta 2 O 5 . Flow, thickness, and radiopacity tests were conducted in accordance with ISO 6876. Sorption and solubility (SL tests were conducted in accordance with ISO 4049, pH was measured with a pH meter, and degree of conversion (DC was evaluated with Fourier transform infrared spectroscopy (FTIR. For radiopacity, two-way analysis of variance (ANOVA and Tukey′s multiple comparison test was performed. For DC analysis, one-way ANOVA and Tukey′s multiple comparison test was performed. All statistical analyses were performed with a significance level of 5%. Results: All groups showed lower flow with increased filler concentration. All groups showed film thickness values lower than 50μm, as ISO recommends, except CaWO 4 50% group (76.7μm. pH values varied from 5.95 (± 0.07 in YbF 3 40% group to 6.90 (± 0.07 in Ta 2 O 5 40% group. In the radiopacity test, YbF 3 30%, Ta 2 O 5 40%, and Ta 2 O 5 50% groups showed no statistical significant difference to 3mmAl. Ta 2 O 5 and YbF 3 groups in 10, 20, and 30% concentrations presented sorption and SL values as ISOrecommendation. Addition ofTa 2 O 5 and CaWO 4 decreased DC after 14 days. YbF 3 addition showed no difference in DC from control group. Conclusion: YbF 3 filler addition promoted higher properties compared to CaWO 4 and Ta 2 O 5 on Bis-EMA based root canal sealer.

  12. Bridging function mediated intermetallic coupling in diruthenium-bis(bipyridine) complexes

    Indian Academy of Sciences (India)

    Soma Chakraborty; Biplab Mondal; Biprajit Sarkar; Goutam Kumar Lahiri

    2002-08-01

    The interactions of potentially dinucleating bridging functionalities (I-VI) with the ruthenium-bis(bypyridine) precursor [RuII(bpy)2(EtOH)2]2+ have been explored. The bridging functions I, II and VI directly result in the expected dinuclear complexes of the type [(bpy)2RuII{L}RuII(bpy)2]+ (1, 2, 7 and 8) ( = 0, = 4 and = -2, = 2). The bridging ligand III undergoes N-N or N-C bond cleavage reaction on coordination to the RuII(bpy)2 core which eventually yields a mononuclear complex of the type [(bpy)2RuII(L)]+, 3, where L = -OC6H3(R)C(R′)=N-H. However, the electrogenerated mononuclear ruthenium(III) congener, 3+ in acetonitrile dimerises to [(bpy)2RuIII {-OC6H3(R)C(R′)=N-N=(R′)C(R)C6H3O-}RuIII(bpy)2]4+ (4). In the presence of a slight amount of water content in the acetonitrile solvent the dimeric species (4) reduces back to the starting ruthenium(II) monomer (3). The preformed bridging ligand IV undergoes multiple transformations on coordination to the Ru(bpy)2 core, such as hydrolysis of the imine groups of IV followed by intermolecular head-to-tail oxidative coupling of the resultant amino phenol moieties, which in turn results in a new class of dimeric complex of the type [(bpy)2RuII {-OC6H4-N=C6H3(=NH)O-}RuII(bpy)2]2+ (5). In 5, the bridging ligand comprises of two , chelating binding sites each formally in the semiquinone level and there is a -benzoquinonediimine bridge between the metal centres. In complex 6, the preformed bridging ligand, 3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2-dihydro-1,2,4,5- tetrazine, H2L (V) undergoes oxidative dehydrogenation to aromatic tetrazine based bridging unit, 3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine, L. The detailed spectroelectrochemical aspects of the complexes have been studied in order to understand the role of the bridging units towards the intermetallic electronic coupling in the dinuclear complexes.

  13. Diphenyllead(IV) chloride complexes with benzilthiosemicarbazones. The first bis(thiosemicarbazone) derivatives.

    Science.gov (United States)

    Calatayud, David G; López-Torres, Elena; Mendiola, M Antonia

    2007-11-26

    Reactions of diphenyllead(IV) chloride with benzil bis(thiosemicarbazone) (L1H6) and benzil bis(4-methyl-3-thiosemicarbazone) (L1Me2H4) afforded the first complexes containing the diphenyllead(IV) moiety with bis(thiosemicarbazone) ligands. The new complexes show diverse structural characteristics depending on the ligand and the working conditions. Complexes [PbPh2Cl(L1H5)].3H2O (1) and [PbPh2Cl(L1Me2H3)] (3) are mononuclear species in which the ligands are partially deprotonated and the lead atom has a C2N2S2Cl environment in a distorted pentagonal bipyramid coordination geometry. Complex [PbPh(L1Me2H2)](2).2H2O (4) was also obtained, which contains two lead atoms in a binuclear structure with a C2N2S3 coordination sphere for each lead atom, since both dideprotonated ligands act as N2S2 chelate and as sulfur bridge. Reaction from L1H6, in the same conditions in which complex 4 was prepared, gave a mixture of products: the lead (II) complex [Pb(L1H4)]2 (2) and [PbPh3Cl]n. Reactions with the cyclic molecules 5-methoxy-5,6-diphenyl-4,5-dihydro-2H-[1,2,4]-triazine-3-thione (L2H2OCH3) and 5-methoxy-4-methyl-5,6-diphenyl-4,5-dihydro-2H-[1,2,4]-triazine-3-thione (L2MeHOCH3) were also explored. In all the complexes, the ligands are deprotonated. The complexes [PbPh2(L2)2] (5) and [PbPh2(L2MeOCH3)2] (7) present the same characteristics. The X-ray structure of 5 shows a distorted octahedral geometry around the lead atom, with the ligand molecules acting as NS chelates, but the nitrogen bonded to the metal is different; one of the triazines shows a novel behavior, since the nitrogen atom of the new imine group formed is the one that is bonded to the lead center, being a good example of linkage isomerism. The complex [PbPh2Cl(L2)] (6), which was also isolated, could not be crystallized. All the complexes were characterized by elemental analysis, mass spectrometry, IR and 1H, 13C, and 207Pb NMR spectroscopy and some of them by X-ray diffraction studies. PMID:17939655

  14. Cu(II) bis(thiosemicarbazone) radiopharmaceutical binding to serum albumin: further definition of species dependence and associated substituent effects

    International Nuclear Information System (INIS)

    Introduction: The pyruvaldehyde bis(N4-methylthiosemicarbazonato)copper(II) (Cu-PTSM) and diacetyl bis(N4-methylthiosemicarbazonato)copper(II) (Cu-ATSM) radiopharmaceuticals exhibit strong, species-dependent binding to the IIA site of human serum albumin (HSA), while the related ethylglyoxal bis(thiosemicarbazonato)copper(II) (Cu-ETS) radiopharmaceutical appears to exhibit only nonspecific binding to HSA and animal serum albumins. Methods: To further probe the structural basis for the species dependence of this albumin binding interaction, we examined protein binding of these three radiopharmaceuticals in solutions of albumin and/or serum from a broader array of mammalian species (rat, sheep, donkey, rabbit, cow, pig, dog, baboon, mouse, cat and elephant). We also evaluated the albumin binding of several copper(II) bis(thiosemicarbazone) chelates offering more diverse substitution of the ligand backbone. Results: Cu-PTSM and Cu-ATSM exhibit a strong interaction with HSA that is not apparent with the albumins of other species, while the binding of Cu-ETS to albumin is much less species dependent. The strong interaction of Cu-PTSM with HSA does not appear to simply correlate with variation, relative to the animal albumins, of a single amino acid lining HSA's IIA site. Those agents that selectively interact with HSA share the common feature of only methyl or hydrogen substitution at the carbon atoms of the diimine fragment of the ligand backbone. Conclusions: The interspecies variations in albumin binding of Cu-PTSM and Cu-ATSM are not simply explained by unique amino acid substitutions in the IIA binding pocket of the serum albumins. However, the specific affinity for this region of HSA is disrupted when substituents bulkier than a methyl group appear on the imine carbons of the copper bis(thiosemicarbazone) chelate.

  15. Cu(II) bis(thiosemicarbazone) radiopharmaceutical binding to serum albumin: further definition of species dependence and associated substituent effects

    Energy Technology Data Exchange (ETDEWEB)

    Basken, Nathan E. [Division of Nuclear Pharmacy, Department of Industrial and Physical Pharmacy, Purdue University, West Lafayette, IN 47907 (United States); Green, Mark A. [Division of Nuclear Pharmacy, Department of Industrial and Physical Pharmacy, Purdue University, West Lafayette, IN 47907 (United States)], E-mail: magreen@purdue.edu

    2009-07-15

    Introduction: The pyruvaldehyde bis(N{sup 4}-methylthiosemicarbazonato)copper(II) (Cu-PTSM) and diacetyl bis(N{sup 4}-methylthiosemicarbazonato)copper(II) (Cu-ATSM) radiopharmaceuticals exhibit strong, species-dependent binding to the IIA site of human serum albumin (HSA), while the related ethylglyoxal bis(thiosemicarbazonato)copper(II) (Cu-ETS) radiopharmaceutical appears to exhibit only nonspecific binding to HSA and animal serum albumins. Methods: To further probe the structural basis for the species dependence of this albumin binding interaction, we examined protein binding of these three radiopharmaceuticals in solutions of albumin and/or serum from a broader array of mammalian species (rat, sheep, donkey, rabbit, cow, pig, dog, baboon, mouse, cat and elephant). We also evaluated the albumin binding of several copper(II) bis(thiosemicarbazone) chelates offering more diverse substitution of the ligand backbone. Results: Cu-PTSM and Cu-ATSM exhibit a strong interaction with HSA that is not apparent with the albumins of other species, while the binding of Cu-ETS to albumin is much less species dependent. The strong interaction of Cu-PTSM with HSA does not appear to simply correlate with variation, relative to the animal albumins, of a single amino acid lining HSA's IIA site. Those agents that selectively interact with HSA share the common feature of only methyl or hydrogen substitution at the carbon atoms of the diimine fragment of the ligand backbone. Conclusions: The interspecies variations in albumin binding of Cu-PTSM and Cu-ATSM are not simply explained by unique amino acid substitutions in the IIA binding pocket of the serum albumins. However, the specific affinity for this region of HSA is disrupted when substituents bulkier than a methyl group appear on the imine carbons of the copper bis(thiosemicarbazone) chelate.

  16. Physical and chemical properties of an antimicrobial Bis-GMA free dental resin with quaternary ammonium dimethacrylate monomer.

    Science.gov (United States)

    Huang, Qi-ting; He, Jing-wei; Lin, Zheng-mei; Liu, Fang; Lassila, Lippo V J; Vallittu, Pekka K

    2016-03-01

    The objective of this study was to evaluate the antibacterial activity, physicochemical properties of the quaternary ammonium dimethacrylate monomer N,N-bis[2-(3-(methacryloyloxy)propanamido)-ethyl]-N-methylhexadecyl ammonium bromide (IMQ-16) containing diurethane dimethacrylate (UDMA)/tricyclodecane dimethanol diacrylate (SR833s) resin system and compare with bisphenylglycidyl dimethacrylate (Bis-GMA)/triethylene glycol dimethacrylate (TEGDMA) resin system. It was hypothesized that the physical and chemical properties of the experimental polymers would be comparable with Bis-GMA/TEGDMA polymer and IMQ-16 monomer could endow the UDMA/SR833s resin with antibacterial activity. Double bond conversion (DC) was measured using Fourier transform infrared spectroscopy (FTIR). Mechanical properties including flexural strength (FS) and flexural modulus (FM) were measured by three-point bending test with bars of 2mm×2mm×25mm. Water sorption (WS) and solubility (WSL) were also investigated. Antibacterial activity of obtained polymers against Streptococcus mutans Ingbitt (S. mutans) was tested through direct contact test (DCT). The presence of antibacterial activity due to soluble components was also investigated by agar diffusion test (ADT). All of the polymers containing IMQ-16 exhibited improvements in WS and WSL, while maintaining equivalent DC and FS relative to the Bis-GMA/TEGDMA control system. Incorporation of 17% and 20% of IMQ-16 into UDMA/SR833s resin reduced the viable counts of S. mutans after incubation on the surface of the materials and produced no inhibition zones around the cured discs in ADT. UDMA/SR833s resin system is promising to formulate an antibacterial polymer with equivalent or even higher physicochemical properties relative to Bis-GMA/TEGDMA formulation. IMQ-16 is capable to endow UDMA/SR833s resin system with significant antibacterial activity when the mass ratio is 17% or 20%.

  17. Physical and chemical properties of an antimicrobial Bis-GMA free dental resin with quaternary ammonium dimethacrylate monomer.

    Science.gov (United States)

    Huang, Qi-ting; He, Jing-wei; Lin, Zheng-mei; Liu, Fang; Lassila, Lippo V J; Vallittu, Pekka K

    2016-03-01

    The objective of this study was to evaluate the antibacterial activity, physicochemical properties of the quaternary ammonium dimethacrylate monomer N,N-bis[2-(3-(methacryloyloxy)propanamido)-ethyl]-N-methylhexadecyl ammonium bromide (IMQ-16) containing diurethane dimethacrylate (UDMA)/tricyclodecane dimethanol diacrylate (SR833s) resin system and compare with bisphenylglycidyl dimethacrylate (Bis-GMA)/triethylene glycol dimethacrylate (TEGDMA) resin system. It was hypothesized that the physical and chemical properties of the experimental polymers would be comparable with Bis-GMA/TEGDMA polymer and IMQ-16 monomer could endow the UDMA/SR833s resin with antibacterial activity. Double bond conversion (DC) was measured using Fourier transform infrared spectroscopy (FTIR). Mechanical properties including flexural strength (FS) and flexural modulus (FM) were measured by three-point bending test with bars of 2mm×2mm×25mm. Water sorption (WS) and solubility (WSL) were also investigated. Antibacterial activity of obtained polymers against Streptococcus mutans Ingbitt (S. mutans) was tested through direct contact test (DCT). The presence of antibacterial activity due to soluble components was also investigated by agar diffusion test (ADT). All of the polymers containing IMQ-16 exhibited improvements in WS and WSL, while maintaining equivalent DC and FS relative to the Bis-GMA/TEGDMA control system. Incorporation of 17% and 20% of IMQ-16 into UDMA/SR833s resin reduced the viable counts of S. mutans after incubation on the surface of the materials and produced no inhibition zones around the cured discs in ADT. UDMA/SR833s resin system is promising to formulate an antibacterial polymer with equivalent or even higher physicochemical properties relative to Bis-GMA/TEGDMA formulation. IMQ-16 is capable to endow UDMA/SR833s resin system with significant antibacterial activity when the mass ratio is 17% or 20%. PMID:26688422

  18. Modulation of the conflict monitoring intensity: the role of aversive reinforcement, cognitive demand, and trait-BIS.

    Science.gov (United States)

    Leue, Anja; Lange, Sebastian; Beauducel, André

    2012-06-01

    According to Botvinick's (2007) integrative account, conflict monitoring is aversive because individuals anticipate cognitive demand, whereas the revised reinforcement sensitivity theory (rRST) predicts that conflict processing is aversive because individuals anticipate aversive reinforcement of erroneous responses. Because these accounts give different reasons for the aversive aspects of conflict, we manipulated cognitive demand and the aversive reinforcement as a consequence of wrong choices in a go/no-go task. Thereby, we also aimed to investigate whether individual differences in conflict sensitivity (i.e., in trait anxiety, linked to high sensitivity of the behavioral inhibition system [trait-BIS]) represent the effects of aversive reinforcement and cognitive demand in conflict tasks. We expected that these manipulations would have effects on the frontal N2 component representing activity of the anterior cingulate cortex. Moreover, higher-trait-BIS individuals should be more sensitive than lower-trait-BIS individuals to aversive effects in conflict situations, resulting in a more negative frontal N2 for higher-trait-BIS individuals. In Study 1, with N = 104 students, and Study 2, with N = 47 students, aversive reinforcement was manipulated in three levels (within-subjects factor) and cognitive demand in two levels (between-subjects factor). The behavioral findings from the go/no-go task with noncounterbalanced reinforcement levels (Study 1) could be widely replicated in a task with counterbalanced reinforcement levels (Study 2). The frontal mean no-go N2 amplitude and the frontal no-go N2 dipole captured predicted reinforcement-related variations of conflict monitoring, indicating that the anticipation of aversive reinforcement induces variations in conflict monitoring intensity in frontal brain areas. The aversive nature of conflict was underlined by the more pronounced conflict monitoring in higher- than in lower-trait-BIS individuals.

  19. [1,1′-Bis(diphenylphosphanylcobaltocenium]carbonylchloridohydrido(triphenylphosphaneruthenium(II hexafluoridophosphate dichloromethane disolvate

    Directory of Open Access Journals (Sweden)

    Jian-Guo Hou

    2011-12-01

    Full Text Available In the title compound, [CoRu(C17H14P2ClH(C18H15P(CO]PF6·2CH2Cl2, the RuII atom is coordinated by three P atoms from a chelating 1,1′-bis(diphenylphosphanylcobaltocenium ligand and a triphenylphosphine ligand, one CO ligand, one Cl atom and one H atom in a distorted octahedral geometry. In the cobaltocenium unit, the two cyclopentadienyl rings are almost parallel, making a dihedral angle of 1.2 (3°. The F atoms of the hexafluoridophosphate anion are disordered over two sets of sites, with an occupancy ratio of 0.849 (11:0.151 (11. Intramolecular C—H...Cl hydrogen bonds occur in the complex cation. The complex cations, hexafluoridophosphate anions and dichloromethane solvent molecules are linked by intermolecular C—H...F hydrogen bonds.

  20. A Quantum Monte Carlo Study of mono(benzene)TM and bis(benzene)TM Systems

    CERN Document Server

    Bennett, M Chandler; Mitas, Lubos

    2016-01-01

    We present a study of mono(benzene)TM and bis(benzene)TM systems, where TM={Mo,W}. We calculate the binding energies by quantum Monte Carlo (QMC) approaches and compare the results with other methods and available experiments. The orbitals for the determinantal part of each trial wave function were generated from several types of DFT in order to optimize for fixed-node errors. We estimate and compare the size of the fixed-node errors for both the Mo and W systems with regard to the electron density and degree of localization in these systems. For the W systems we provide benchmarking results of the binding energies, given that experimental data is not available.

  1. [64Cu]diacetyl-bis(N4-methyl-thiosemicarbazone) - a radiotracer for tumor hypoxia

    International Nuclear Information System (INIS)

    Positron emission tomography scanning using the radiotracer-labeled copper (II)-diacetyl-bis(N4-methylthiosemicarbazone) has been proposed as a noninvasive method for evaluating tumor hypoxia. Tumor hypoxia results in a more aggressive tumor phenotype together with resistance to both radiotherapy and chemotherapy. A noninvasive technique for evaluation of tumor hypoxia is not currently available. Validation of this technique would provide clinicians with a tool for determining the most appropriate cancer therapy, prognostic information, and subvolume delineation for the radiotherapy dose escalation to the radioresistant hypoxic regions within a tumor. This review article describes the background to the development of this tracer, its proposed retention mechanism, biodistribution dosimetry and the preclinical and clinical studies to date. It outlines the potential use of this radiotracer for imaging in the field of oncology

  2. Dioxouranium (VI) complexes of macrocyclic ligands derived from 2. 6-diacetyl pyridine-bis(thiosemicarbazone)

    Energy Technology Data Exchange (ETDEWEB)

    Yadav, H.D.S.; Sengupta, S.K.; Tripathi, S.C.

    The dioxouranium(VI) complex of 2.6-diacetylpyridine-bis(thiosemicarbazone), (DAPTC), (UO/sub 2/(DAPTC) (NO/sub 3/)/sub 2/) and its reactions with diketones are described. The complexes so obtained have been characterized on the basis of elemental analyses, electrical conductance and spectral (i.r. and electronic) data. The parent complex reacts with ..beta..-diketones to form a complex of the type (UO/sub 2/(mac)(NO/sub 3/)/sub 2/), where mac is a macrocyclic ligand derived by the condensation of DAPTC and a ..beta..-diketone. The ligand, DAPTC, acts as a neutral, terdentate ligand having coordination sites at pyridine nitrogen and two azomethine nitrogens. 27 refs.

  3. 1,4-Bis{(+-(S-[1-(1-naphthylethyl]iminomethyl}benzene

    Directory of Open Access Journals (Sweden)

    Armando Espinosa Leija

    2009-10-01

    Full Text Available The title compound, C32H28N2, is a chiral bis-imine in which both imine groups display the common E configuration. The naphthyl groups present different orientations with respect to the central core, as reflected in the dihedral angles of 21.4 (2 and 78.83 (14° between the benzene and naphthyl mean planes, thus the highest possible C2 local molecular symmetry is not attained. This C1 molecular conformation allows multiple C—H...π intermolecular contacts involving all aromatic rings, while no π–π interactions are available for the stabilization of the crystal structure. The resulting packing structure is based on molecules stacked along [100].

  4. Reactions of Radiation-Produced Free Radicals With Bis-Complexes in Aqueous Solution

    International Nuclear Information System (INIS)

    gamma-radiation on aqueous solution of CuII in the presence of excess and different ligand concentrations namely L=2,9-dimethyl-1,10-phenanthroline (dmp), 1,10-phenanthroline (phen), and 1,1-bipyridyl (b py) was studied.It was found that CuII,was reduced to CuI-complex by CO22 ,1-and 2-hydroxyalkyl radicals from methanol, ethanol, and propane -2-ol. In the former case Cu(L)2+ was a major product. Results suggest that the value of molar absorption coefficient epsilon for the mono-complex [Cu(L)+] is about half that of the bis-complex [Cu(L)2+

  5. Thiourea recognition by 2,6-bis(2-benzimidazolyl)pyridine using spectroscopic techniques and DFT

    Science.gov (United States)

    Chetia, Bolin; Goutam, Prasanta J.; Chipem, Francis A. S.; Iyer, Parameswar K.

    2013-06-01

    Recognition of thiourea by 2,6-bis(2-benzimidazolyl)pyridine, bbp, a neutral tridentate ligand was studied by UV visible and fluorescence spectroscopic techniques. FTIR spectroscopy and supportive DFT calculations established that, thiourea molecule, while bound to the binding site of bbp took up a near perpendicular orientation to the plane of the receptor. While forming the complex, the two imidazole H atoms present in the binding site of bbp formed two weak interactions with S atom of thiourea, which has low electronegativity. Moreover, bigger size of S atom restricted approach of thiourea inside the binding site. Stability of the bbp:thiourea complex basically increased as one of the imine H atom of thiourea is involved in a hydrogen bond with the pyridine N atom of bbp, which forced the near perpendicular orientation of thiourea on the plane of bbp. This binding mode is significantly different from the binding mode of urea with bbp as reported earlier.

  6. Iron(III) Chloride mediated reduction of Bis(1-isoquinolylcarbonyl)amide to an Amide

    Indian Academy of Sciences (India)

    Rojalin Sahu; Papuli Chaliha; Vadivelu Manivannan

    2016-01-01

    In methanol, FeCl3 reacted readily with L1H (L1H = bis(1-isoquinolylcarbonyl)amide) and afforded a complex having the formula [Fe(L2)Cl2] (1) {L2− = -((1-isoquinolyl)(methoxy)methyl)isoquinoline-1-carboxamide ion}. This reaction involves reduction of one of the two carbonyl groups present in L1H to (methoxy)methyl group. A plausible mechanism for the conversion of L1H to L2− has been proposed. Determination of molecular structure of 1 confirmed this conversion. Fe(III) ion is surrounded by three nitrogen atoms of the ligand and two chloride ions, imparting a rare distorted trigonal bipyramidal N3Cl2 coordination environment.

  7. C,C′-Bis(benzodiazaborolyl)dicarba-closo-dodecaboranes : synthesis, structures, photophysics and electrochemistry.

    OpenAIRE

    Weber, L.; Kahlert, J.; Brockhinke, R.; Böhling, L.; Halama, J.; Brockhinke, A.; Stammler, H.-J.; Neumann, B; Nervi, C.; Harder, R.A.; M. A. Fox

    2013-01-01

    Six new C,C′-bis(benzodiazaborolyl)dicarba-closo-dodecaboranes, 1,A-R2-1,A-C2B10H10, where R represents the group 2-(1,3-Et2-1,3,2-N2BC6H4) or 2-(1,3-Ph2-1,3,2-N2BC6H4) and A is 2, 7 or 12, were synthesized from o-, m-, and p-dicarbadodecaboranes (carboranes) by lithiation and subsequent treatment with the respective 2-bromo-1,3,2-benzodiazaboroles. UV-visible and fluorescence spectra of all carboranes display low energy charge transfer emissions. While such emissions with Stokes shifts betwe...

  8. EVALUATION OF THE ANTIMICROBIAL EFFECTS OF NEW HETEROCYCLIC BIS-QUATERNARY AMMONIUM COMPOUNDS ON BIOFILMS

    Directory of Open Access Journals (Sweden)

    OANA E. CONSTANTIN

    2016-07-01

    Full Text Available Considering the well-known mechanism of adaptable resistance of microorganisms to chemical compounds through biofilms formation and the widespread use of N-heterocyclic quaternary ammonium salts (QAC as disinfectants, in this study we have evaluate the effect of 8 newly synthesized symmetrical and unsymmetrical diquaternary ammonium salts of 1,2-bis-(4-pyridil-ethane on bacterial biofilms produced by three different bacterial strains. The effect of the exposure to quaternary ammonium salts on biofilm communities was investigated within biofilms obtained in a conventional testing system, on stainless steel and glass surfaces. Differential plate counts were used to characterize the developed communities and the effects of QAC exposure and the results were correlated with epifluorescence microphotographs. The data obtained revealed a significant reduction of bacterial cells in the biofilms tested with 4-7 log CFU for all the QAC.

  9. Synthesis and characterization of high performance superabsorbent hydrogels using bis[2-(methacryloyloxyethyl] phosphate as crosslinker

    Directory of Open Access Journals (Sweden)

    A. A. L. Goncalves

    2016-03-01

    Full Text Available Various superabsorbent polymers (SAPs were synthesized by free radical copolymerization at 70°C using acrylic acid (AA, potassium acrylate (KA, N-isopropyl acrylamide (NIPAM and sulfopropyl methacrylate potassium salt (SPM as monomers, bis[2-(methacryloyloxyethyl] phosphate (BMEP as crosslinker and potassium persulfate (KPS as initiator. The optimization of the synthesis led to the preparation of a SAP with very high water absorption ability, with a maximum swelling of 2618 g water/g dry hydrogel. The most promising SAP was fully characterized and the absorption capacities were studied at different pH and ionic strengths. When this SAP was mixed with soil, the mixture was able to lose water more slowly. Also, this material revealed high loading capacity and showed good releasing profiles using urea as model fertilizer. Due to these advantageous properties, the synthesized SAP can be used in agricultural applications.

  10. Synthesis and Structure of Bis-(o-vanillin)di-pyridine Nickel(Ⅱ)-pyridine Dihydrate

    Institute of Scientific and Technical Information of China (English)

    孙命; 王瑾玲; 段月琴; 缪方明; 翁林红; 冷雪冰

    2001-01-01

    The structure of the complex bis-(o-vanillin)di-pyridine nickel(Ⅱ)([ Ni X-ray analysis.The crystal data are as follows: Monoclinic,P21/n,a=12.273(1),b=17.4700.674mm-1,F(000)=1328,final R=0.0428,Rw=0.1228 for 4528 observable reflections with I≥2σ(Ⅰ).The Nickel(Ⅱ)atom in the complex has a slightly distorted octahedral coordination geometr y and is six-coordinated by four O atoms from two O-Vanillin ligands and two N atoms from two pyridines.In the crystal,the Ni(Ⅱ)-complex and water molecules are linked through a network of hydrogen bonds.

  11. Radiochemical extraction of lanthanide thiocyanate complexes with bis-2-ethylhexyl sulphoxide

    International Nuclear Information System (INIS)

    The extraction of lanthanides (Ln) such as Nd(III), Eu(III) and Er(III) from thiocyanate solutions by bis-2-ethylhexyl sulphoxide (B2EHSO) in benzene has been studied by tracer techniques. For comparison, extraction studies have been carried out with di-n-octyl sulphoxide (DOSO) and tri-octyl phosphine oxide (TOPO). Extraction studies have also been carried out with mixtures of B2EHSO and DOSO or TOPO. A relatively small synergistic enhancement has been observed with a mixture of extractants, which may be due to the formation of more stable mixed-ligand complexes. The extraction data have been analysed by both graphical and theoretical methods taking into account aqueous phase speciation and all plausible complexes extracted into the organic phase. The equilibrium constants of the extracted species were determined by non-linear regression analysis. (orig.)

  12. Extraction equilibrium of mercury(II) with bis(2-ethylhexyl) sulfoxide

    International Nuclear Information System (INIS)

    The extraction of mercury(II) from chloride and thiocyanate solutions has been studied by tracer techniques using bis(2-ethylhexyl)sulphoxide (B2EHSO) in benzene as an extractant. These extraction data have been analyzed theoretically by taking into account complexation of the metal in the aqueous phase by inorganic ligands and plausible complexation in the organic phase.The results demonstrate that Hg(II) is extracted as HgX2 and HgX2 x nB2EHSO (where X=Cl- or SCN- and n=1 or 2). The effect to the foreign ions on the extraction of Hg(II) has also been investigated. (author) 14 refs.; 2 figs.; 1 tab

  13. Synthesis and Crystal Structure of 3,4-Bis(azidoacetamino) furazan

    Institute of Scientific and Technical Information of China (English)

    李战雄; 唐松青; 刘金涛; 孙杰

    2003-01-01

    3,4-Bis(azidoacetamino)furazan (DAZAF) was synthesized and characterized by elemental analysis, IR, 1H NMR and MS as an energetic compound. The crystal structure of the title compound was determined by single-crystal X-ray diffraction with the following data: C6H6N10O3, monoclinic, P21/n, Z = 4, a = 8.402(3), b = 15.146(3), c = 9.247(3) A。, β = 111.09(2)o, V = 1098.0(6) A。3, Mr = 266.18, Dc = 1.610 g/cm3, F(000) = 544, μ =1.34 cm-1, R = 0.037 and wR = 0.044 for 2136 observed reflections (I > 2σ(I)). Intra- and inter-molecular hydrogen bonds were identified between the O and H atoms of two intramolecular acetylamino groups and two intermolecular acetylamino groups, respectively.

  14. Push-pull flexibly-bridged bis(haloBODIPYs): solvent and spacer switchable red emission.

    Science.gov (United States)

    Ray, César; Bañuelos, Jorge; Arbeloa, Teresa; Maroto, Beatriz L; Moreno, Florencio; Agarrabeitia, Antonia R; Ortiz, María J; López-Arbeloa, Iñigo; de la Moya, Santiago

    2016-08-01

    A series of uncommon bis(BODIPYs), involving a flexible bridge linking the BODIPY α-positions and key functionalities to efficiently give an electronic push-pull effect, has been synthesized, as well as photophysically and structurally studied. It is demonstrated that the designed push-pull effect efficiently enables intramolecular charge transfer (ICT) processes upon photoexcitation, with the generated low-lying ICT state being the main deactivation channel from the locally excited state and, hence, ruling the fluorescence response. Noticeably, this response is modulated by the solvent polarity, and also by the bridge structure. Regarding this, BINOL- and BINAM-based bridges are found to promote an interesting unprecedented solvent-switchable dual emission from the ICT state with high Stokes shifts, triggering a significant bright red emission in less polar media. PMID:27378499

  15. Synthesis and Antimicrobial Activity of Bis-4,6-sulfonamidated 5,7-Dinitrobenzofuroxans

    Directory of Open Access Journals (Sweden)

    Irina V. Galkina

    2014-01-01

    Full Text Available A new series of bis-4,6-sulfonamidated 5,7-dinitrbenzofuroxans  7–11 had been synthesized and tested for antimicrobial activity. The structures of new sulfanilamide derivatives were characterized by elemental analysis, IR spectroscopy, and mass spectrometry (MALDITOF. The synthesized compounds were tested for their in vitro antimicrobial activity using the disk diffusion method against Gram-positive bacteria Staphylococcus aureus; the Gram-negative bacteria Escherichia coli, Pseudomonas aeruginosa, and Proteus mirabilis; the fungal strain Aspergillus niger; and the yeast-like pathogenic fungus Candida albicans. Our results indicate that the compounds 7–11 exhibit potent antimicrobial activity. The stability of the compounds was evaluated by TG and DSC methods.

  16. Copper complexes of bis(thiosemicarbazones): from chemotherapeutics to diagnostic and therapeutic radiopharmaceuticals.

    Science.gov (United States)

    Paterson, Brett M; Donnelly, Paul S

    2011-05-01

    The molecules known as bis(thiosemicarbazones) derived from 1,2-diones can act as tetradentate ligands for Cu(II), forming stable, neutral complexes. As a family, these complexes possess fascinating biological activity. This critical review presents an historical perspective of their progression from potential chemotherapeutics through to more recent applications in nuclear medicine. Methods of synthesis are presented followed by studies focusing on their potential application as anti-cancer agents and more recent investigations into their potential as therapeutics for Alzheimer's disease. The Cu(II) complexes are of sufficient stability to be used to coordinate copper radioisotopes for application in diagnostic and therapeutic radiopharmaceuticals. Detailed understanding of the coordination chemistry has allowed careful manipulation of the metal based properties to engineer specific biological activities. Perhaps the most promising complex radiolabelled with copper radioisotopes to date is Cu(II)(atsm), which has progressed to clinical trials in humans (162 references). PMID:21409228

  17. Synthesis of 1,2-bis[2-methyl-5(3,4-difluorophenyl)-3-thienyl] perfluorocyclopentene

    Institute of Scientific and Technical Information of China (English)

    Taiqi LIU; Liyan YANG; Jianxiang YU

    2008-01-01

    2,Methylthiophene (1) was treated at 0℃ with liquid bromine to form 3,5,dibromo,2,methylthiophene (2) which reacted with tributyl borate to give 2,methyl,3,bromo,5,boronate thiophene (3) at,78℃. Treatment of 3 with 3,4,difluorobrombenzene gave 2,methyl,3,bromo,5,(3,4,difluorophenyl)thiophene (4). Finally,a novel photochromic dithienylethene compound,1,2,bis [2,methyl,5(3,4,difluorophenyl),3,thienyl]perfluorocyclopentene (DT,1),was synthesized by the reaction of 4 with perfluorocyclopentene at,78℃. The compound (DT,1)was characterized by IR,NMR,MS,elemental analysis and its photochromic behavior was also discussed.

  18. Quality control results of the drift tubes for the ATLAS MDT-BIS chambers

    CERN Document Server

    Alexopoulos, T; Dris, M; Filippas, T; Gazis, E; Katsoufis, E; Maltezos, S; Savva, Panagiota S; Tsipolitis, G; Tzamariudaki, E; 2004 IEEE Nuclear Science Symposium And Medical Imaging Conference

    2004-01-01

    ATLAS (A Toroidal LHC ApparatuS) is a general purpose experiment, which will start its operation at the Large Hadron Collider (LHC) at CERN in 2007. The ATLAS detector is designed to study the products of proton-proton collisions at c.m.s. energies of up to 14 TeV. Three Greek Universities have taken the responsibility to construct 112 BIS-MDT (Barrel Inner Small) chambers using 29 000 drift tubes of 170 cm length and 3 cm diameter that have been quality tested before assembly. This work describes the Quality Assurance and Quality Control (QA_QC) procedures for the drift tubes, followed at the High Energy Physics Laboratory of the National Technical University of Athens, while emphasis is given on the obtained results for the above mentioned number of tubes.

  19. Quality control results of the drift tubes for the ATLAS MDT-BIS chambers

    Science.gov (United States)

    Alexopoulos, T.; Avramidou, R.; Dris, M.; Filippas, T. A.; Gazis, E. N.; Katsoufis, E.; Maltezos, S.; Savva, P.; Tsipolitis, G.; Tzamariudaki, E.

    2006-05-01

    ATLAS (A Toroidal LHC ApparatuS) is a general purpose experiment, which will start its operation at the Large Hadron Collider (LHC) at CERN in 2007. The ATLAS detector is designed to study the products of proton-proton collisions at c.m.s. energies of up to 14 TeV. Three Greek Universities have taken the responsibility to construct 112 BIS-MDT (Barrel Inner Small) chambers using 29 000 drift tubes of 170 cm length and 3 cm diameter that have been quality tested before assembly. This work describes the Quality Assurance and Quality Control (QA_QC) procedures for the drift tubes, followed at the High Energy Physics Laboratory of the National Technical University of Athens, while emphasis is given on the obtained results for the above mentioned number of tubes.

  20. Methanofullerene-Based Palladium Bis(amino)aryl Complexes and Applications in Lewis Acid Catalysis

    OpenAIRE

    van Koten, G.; Meijer, M.D.; Ronde, N.; Vogt, D.; van Klink, G.P.M.

    2001-01-01

    Synthetic routes have been developed for the attachment of palladium(II) bis(amino)aryl (NCN or C6H2{CH2NMe2}2-2,6)- complexes to C60. Using diazo and Bingel addition reactions, various methanofullerene NCN-SiMe3 compounds (C60-L-NCN-SiMe3, L = C(Me), C(CO2Et)CO2CH2, and C(Me)C6H4CC) have been prepared and characterized. Electrophilic palladation of these ligands was achieved with Pd(OAc)2, leading to the corresponding C60-L-NCN·PdCl complexes. These were converted into active Lewis acid cata...

  1. A SENSITIZED PHOTOINITIATION SYSTEM——BIS (7- DIETHYLAMINO COUMARIN )KETONE- 3 AND DIPHENYLIODONIUM SALT COMBINATION

    Institute of Scientific and Technical Information of China (English)

    LI Jun; WANG Xiuzhi; YANG Yongyung; LI Miaozhen; WANG Erjian

    1993-01-01

    Bis (7- diethylaminocoumarin ) ketone- 3(DACK) and diphenyliodonium salt (DPIO)combination as an effective photoinitiation system for radical polymerization has been investigated. The sensitized photolysis of DACK/DPIO leads to bleaching of DACK and decomposition of DPIO to generate initiating radical species. The electron transfer sensitization occurs mainly from the triplet state of DACK. The photobleaching obeyed a second-order kinetics and the rate constant was evaluated to be 31.3mol-1.l.s-1. Photopolymerization of MMA initiated by DACK/DPIO was carried out in acetonitrile solution. The polymerization rate was found to be proportional to the concentration of DACK, DPIO and MMA with the exponents of 0.34, 0.40 and 1.0 respectively. The initiated efficiency is comparable to those of small molecular ketones. The sensitized photoinitiation mechanism has been discussed.

  2. Preparation and Property of Bisphenol A Bis(diphenyl phosphate) Oligomer

    Institute of Scientific and Technical Information of China (English)

    LI Bing-hai; OU Yu-xiang; XIN Fei

    2007-01-01

    Bisphenol A bis(diphenyl phosphate) oligomer(BDP) is prepared successfully from the reactants consisting of phosphorus oxychloride (POCl3), bisphenol A and phenol with a Friedel-Crafts catalyst. The resultant products were examined with thermo-gravimetric analysis (TGA) and high performance liquid chromatography(HPLC). Thermogravimetry data shows that BDP decomposes at 375℃ when 5% weight lost. Experiments results show that catalyst is preferably AlCl3 and the amount of it is preferably 1% relative to bisphenol A by mole. POCl3/bisphenol A mole ratio is preferably about 5∶1 to 6∶1. Experiments unclosed that a seal apparatus is very important to the properties of product.

  3. Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors.

    Science.gov (United States)

    Goswami, Rajeev; Mukherjee, Subhendu; Wohlfahrt, Gerd; Ghadiyaram, Chakshusmathi; Nagaraj, Jwala; Chandra, Beeram Ravi; Sistla, Ramesh K; Satyam, Leena K; Samiulla, Dodheri S; Moilanen, Anu; Subramanya, Hosahalli S; Ramachandra, Murali

    2013-12-12

    Matriptase belongs to trypsin-like serine proteases involved in matrix remodeling/degradation, growth regulation, survival, motility, and cell morphogenesis. Herein, we report a structure-based approach, which led to the discovery of sulfonamide and amide derivatives of pyridyl bis(oxy)benzamidine as potent and selective matriptase inhibitors. Co-crystal structures of selected compounds in complex with matriptase supported compound designing. Additionally, WaterMap analyses indicated the possibility of occupying a distinct pocket within the catalytic domain, exploration of which resulted in >100-fold improvement in potency. Co-crystal structure of 10 with matriptase revealed critical interactions leading to potent target inhibition and selectivity against other serine proteases. PMID:24900621

  4. POLYMERIZATION OF ETHYLENE WITH UNSYMMETRIC 2,6-BIS(IMINO)PYRIDINE IRON(Ⅱ) COMPLEX

    Institute of Scientific and Technical Information of China (English)

    Zhi Ma; Wen-hua Sun; Zi-long Li; Chang-xing Shao; You-liang Hu

    2002-01-01

    An unsymmetric 2,6-bis(imino)pyridine iron(Ⅱ) complex 1' was synthesized. The relationship between catalyst structure and its activity in ethylene polymerization is discussed. The kinetic behavior of ethylene polymerization and the effects of polymerization conditions such as temperature, aluminum/iron molar ratio on the activity of catalyst and the characteristics of polyethylene were reported. The unsymmetric catalyst 1' has a good catalytic performance of 3.47 ×106 gPE @ mol-1 @ Fe @ h-1 at 40℃ with aluminum/iron molar ratio = 2500. A dependence of catalyst activity on the methylaluminoxane (MAO) concentration and reaction temperature was found. The molecular weight (MW) of polyethylene with broad dispersity is about 104-105 g/mol. The melting temperature and branching of polyethylenes vary with changing reaction temperature and aluminum/iron molar ratio.

  5. Palladium(II) complexes supported by a bidentate bis(secondary)phosphine linked by pyridine

    KAUST Repository

    Winston, Matthew S.

    2014-10-01

    A series of complexes of the type (PNP-H2)PdX2 (X=Cl, Br, I) have been synthesized, where PNP-H2 is a bis(secondary)phosphine ligand linked by a pyridine, 2,6-(2\\'-(Ph(H)P)(C6H4))2(C5H3N). Due to chirality at phosphorus, the parent ligand exists as a mixture of nearly equivalent rac and meso diastereomers non-interconverting at room temperature. When ligated to Pd(II) halides, however, the diastereomeric ratio is dependent upon the halide. The chloro, bromo, and iodo complexes have been characterized crystallographically. Conformationally similar meso diastereomers of each dihalide are roughly C s symmetric in the solid state, while the rac diastereomers (identified only for X=Br, I) show substantially different solid-state conformations. © 2014 Elsevier B.V.

  6. Bis(pentamethylcyclopentadienyl)ytterbium: An investigation of weak interactions in solution using multinuclear NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Schwartz, D.J.

    1995-07-01

    NMR spectroscopy is ideal for studying weak interactions (formation enthalpy {le}20 kcal/mol) in solution. The metallocene bis(pentamethylcyclopentadienyl)ytterbium, Cp*{sub 2}Yb, is ideal for this purpose. cis-P{sub 2}PtH{sub 2}complexes (P = phosphine) were used to produce slow-exchange Cp*{sub 2}YbL adducts for NMR study. Reversible formation of (P{sub 2}PtH){sub 2} complexes from cis-P{sub 2}PtH{sub 2} complexes were also studied, followed by interactions of Cp*{sub 2}Yb with phosphines, R{sub 3}PX complexes. A NMR study was done on the interactions of Cp*{sub 2}Yb with H{sub 2}, CH{sub 4}, Xe, CO, silanes, stannanes, C{sub 6}H{sub 6}, and toluene.

  7. Intra and intermodular exchange interactions in bis(α-aminoisobutyrato)oxalamidodicopper(Aib-COCO-Aib)Cu 2

    Science.gov (United States)

    Muthukumaran, Rajendrabose; Chandramouli, Gadisetti V. R.; Manoharan, Periakaruppan T.

    2005-03-01

    Magnetic susceptibility and electron paramagnetic resonance (EPR) spectra of exquisite two-dimensional supramolecular assembly of [bis(α-aminoisobutyrato)oxalamidodicopper](Aib-COCO-Aib)Cu 2 were studied. The temperature dependent magnetic susceptibility studies reveal temperature dependency of the exchange coupling constant. Single crystal EPR studies both at X- and Q-bands show the two-dimensional nature of magnetic lattice and yield the weak intermodular exchange coupling constant in presence of strong intramodular exchange. The intermodular coupling is about five orders of magnitude smaller than the intramodular coupling but it produces a broadening and coalescence of the EPR lines. The temperature dependence of exchange coupling constant reflects dynamical properties of the crystal lattice.

  8. Bis-tert-Alcohol-Functionalized Crown-6-Calix[4]arene: An Organic Promoter for Nucleophilic Fluorination.

    Science.gov (United States)

    Jadhav, Vinod H; Choi, Wonsil; Lee, Sung-Sik; Lee, Sungyul; Kim, Dong Wook

    2016-03-18

    A bis-tert-alcohol-functionalized crown-6-calix[4]arene (BACCA) was designed and prepared as a multifunctional organic promoter for nucleophilic fluorinations with CsF. By formation of a CsF/BACCA complex, BACCA could release a significantly active and selective fluoride source for SN2 fluorination reactions. The origin of the promoting effects of BACCA was studied by quantum chemical methods. The role of BACCA was revealed to be separation of the metal fluoride to a large distance (>8 Å), thereby producing an essentially "free" F(-). The synergistic actions of the crown-6-calix[4]arene subunit (whose O atoms coordinate the counter-cation Cs(+)) and the terminal tert-alcohol OH groups (forming controlled hydrogen bonds with F(-)) of BACCA led to tremendous efficiency in SN2 fluorination of base-sensitive substrates.

  9. Structural Determination of Bis-histidinopeptide Zinc Complexes by 15N NMR (HMBC) Spectra

    Institute of Scientific and Technical Information of China (English)

    ZHOU,Cheng-He; Juan F.Miravet; M.Isabel Burguete; Santiago V.Luis; BAI,Xue; YUAN,Yong

    2004-01-01

    @@ Polynitrogen receptors such as bis-histidine peptides possess strong ability to bind metals, which play much important roles in medicinal, bioinorganic, bioorganic, biomimetic and supramolecular chemistry. In order to investigate the interaction of these hosts with a variety of neutral, cationic and anionic guests, several techniques, for example, NMR,potentiometric tirations and monocrystal X-ray diffraction have been employed. Among them NMR is a powerful technique for unraveling the structure of polynitrogen receptors as long as they are in solution where the rapid tumbling of molecules averages out the anisotropies such as chemical shift and dipole-dipole interactions. General 1H NMR approach has been widely used for the study of host-guest interaction, but it is difficult for the accurate measurement in complexes structures, particularly metal complexes structures in which how the polynitrogen receptors bind metal, and which nitrogen binds metal and so on.

  10. Highly conductive polymer electrolyte membranes modified with polyethylene glycol-bis-carbamate

    Science.gov (United States)

    Fu, Guopeng; Dempsey, Janel; Kyu, Thein

    By virtue of its non-flammability and chemical stability, polyethylene glycol (PEG) networks have shown potential application in all solid-state polymer electrolyte membranes (PEM). However, room temperature ionic conductivity of these PEG based PEMs is inherently low. Plasticization of these PEMs is needed to improve the ionic conductivity. It was demonstrated by this group that small-molecule plasticizers such as succinonitrile, ethylene carbonate, or urea-carbamate can boost ionic conductivity of solid-state polymer electrolyte membranes. Polyethylene glycol bis-carbamate (PEGBC) was synthesized via condensation reaction of polyethylene glycol diamine and ethylene carbonate. The PEGBC modified PEM has shown higher ionic conductivity relative to the unmodified PEM. Moreover, PEGBC modified PEM has a better thermal stability relative to ethylene carbonate based liquid electrolyte with enhanced ionic conductivity. Supported by NSF-DMR 1161070, 1502543 and REU 1359321.

  11. A second monoclinic polymorph of ethylenediammonium bis(hydrogen squarate monohydrate

    Directory of Open Access Journals (Sweden)

    Louiza Zenkhri

    2011-05-01

    Full Text Available The title compound, C2H10N22+·2HC4O4−·H2O, a new polymorph of ethylenediammonium bis(hydrogen squarate monohydrate, was synthesized by slow evaporation of an acid solution. The asymetric unit contains two hydrogen squarate anions, two half-molecules of protonated ethylenediamine arranged around a twofold axis and one water molecule. In the crystal, N—H...O and O—H...O hydrogen bonds between the hydrogen squarate anions, protonated N atoms from the amine group and water molecules lead to a three-dimensional framework. In particular, the cohesion between the squarate groups is ensured by very short intermolecular hydrogen bonds bonds. The title compound crystallized together with the previously reported polymorph [Mathew et al. (2002. J. Mol. Struct. 641, 263–279].

  12. Comparative analysis of the cytotoxicity of substituted (phenylglyoxal bis(4-methyl-3-thiosemicarbazone)) copper (II) chelates.

    Science.gov (United States)

    Coats, E A; Milstein, S R; Holbein, G; McDonald, J; Reed, R; Petering, H G

    1976-01-01

    Seven para-substituted [phenylglyoxal bis(4-methyl-3-thiosemicarbazone)]copper (II) chelates (12-18) have been designed, synthesized, and tested for their ability to inhibit the respiration of rat liver slices as a normal cell model and Ehrlich ascites cells as a tumor cell model. Relationships between chemical structure and respiratory inhibition are described on a quantitative basis using substituent contants (pi, Es, and sigmap) by computerized multiparameter regression analyses. The correlations indicate that changes in Es have the largest effect on liver slice toxicity of chelates while pi and sigmap account for most of the variation in toxicity to ascites cells. A comparative analysis strongly suggests that electron-donating substituents with greater water solubility should increase cytotoxicity to ascites cells at the expense of cytotoxicity to the rat liver cells. The predictions of the equations were checked by synthesizing and testing an additional derivative. The results strengthen the initial predictions. PMID:1246035

  13. Life-threatening intoxication with methylene bis(thiocyanate: clinical picture and pitfalls. A case report

    Directory of Open Access Journals (Sweden)

    Schnuelle Peter

    2006-04-01

    Full Text Available Abstract Background Methylene bis(thiocyanate (MBT is a microbiocidal agent mainly used in industrial water cooling systems and paper mills as an inhibitor of algae, fungi, and bacteria. Case presentation We describe the first case of severe intoxication following inhalation of powder in an industrial worker. Profound cyanosis and respiratory failure caused by severe methemoglobinemia developed within several minutes. Despite immediate admission to the intensive care unit, where mechanical ventilation and hemodialysis for toxin elimination were initiated, multi-organ failure involving liver, kidneys, and lungs developed. While liver failure was leading, the patient was successfully treated with the MARS (molecular adsorbent recirculating system procedure. Conclusion Intoxication with MBT is a potentially life-threatening intoxication causing severe methemoglobinemia and multi-organ failure. Extracorporeal liver albumin dialysis (MARS appears to be an effective treatment to allow recovery of hepatic function.

  14. Crystal structure of 3-{1′-[3,5-bis(trifluoromethylphenyl]ferrocenyl}-4-bromothiophene

    Directory of Open Access Journals (Sweden)

    Elisabeth A. Poppitz

    2014-10-01

    Full Text Available The molecular structure of the title compound, [Fe(C9H6BrS(C13H7F6], consists of a ferrocene backbone with a bis(trifluoromethylphenyl group at one cyclopentadienyl ring and a thiophene heterocycle at the other cyclopentadienyl ring. The latter is disordered over two sets of sites in a 0.6:0.4 ratio. In the crystal structure, intramolecular π–π interactions between the thienyl and the phenyl substituent [centroid–centroid distance 3.695 (4 Å] and additional weak T-shaped π–π interactions between the thienyl and the phenyl-substituted cyclopentadienyl ring [4.688 (6 Å] consolidate the crystal packing.

  15. Corrosion of stainless steel battery components by bis(fluorosulfonyl)imide based ionic liquid electrolytes

    Science.gov (United States)

    Evans, Tyler; Olson, Jarred; Bhat, Vinay; Lee, Se-Hee

    2014-12-01

    While the anodic behavior of aluminum foil current collectors in imide-based room temperature ionic liquids (RTILs) is relatively well understood, interactions between such RTILs and other passive battery components have not been studied extensively. This study presents the solvent and potential dependent oxidation of SS316 coin-cell components in the N-methyl-N-propyl-pyrrolidinium bis(fluorosulfonyl)imide (PYR13FSI) RTIL. While this phenomenon prohibits high-voltage cycling of Li(Ni1/3Mn1/3Co1/3)O2 cathodes in SS316 coin-type cells, Al-clad cell components or alternative cell configurations can be utilized to avoid SS316 oxidation-induced cell failure.

  16. Investigation of biological effects of some Mannich Bases containing Bis-1,2,4- Triazole.

    Science.gov (United States)

    Parlak, A E; Celik, S; Karatepe, M; Turkoglu, S; Alayunt, N O; Dastan, S D; Ulas, M; Sandal, S; Tekin, S; Koparir, M

    2016-01-01

    In this study, the effects of Mannich bases containing bis-1,2,4-triazole on the levels of in vivo malondialdehyde (MDA) and antioxidant vitamins (A, E, C) were examined in serum, livers and kidneys of rats. DA and vitamin (A, E, C) levels were determined by high performance liquid chromatography (HPLC). Antioxidant effect was investigated by determining the MDA levels in Saccharomyces cerevisiae cells as in vitro. Furthermore, the antitumor effects of compounds were investigated against MCF-7 human breast cancer cells. Interrelations of results among control and compound groups were evaluated using SPSS statistical software package. As a result, some of the compounds showed effective biological activity when compared to control conditions. The test compounds used in this study may be effective for utilization in the selection and design of model compounds for further studies. PMID:27453272

  17. CORROSION RESISTANCE OF HOT DIP GALVANIZED STEEL PRETREATED WITH BIS-FUNCTIONAL SILANES MODIFIED WITH NANOALUMINA

    Institute of Scientific and Technical Information of China (English)

    F.J.Shan; C.S.Liu; S.H.Wang; G.C.Qi

    2008-01-01

    The corrosion behavior of hot dip galvanized steel pretreated with bis-[triethoxy-silylpropyl]tetrasulfide (BTESPT) modified with alumina particles was studied.The corrosion resistance of the passiving films was evaluated by Tafel polarization curve and electrochemical impedance spectroscopy.The films formed on the galvanized steel substrate were characterized by Fourier transform infrared spectroscopy and energy dispersive X-ray spectrometry.The surface morphology of the treated hot dip galva-nized steel samples was observed by Field Emission Scanning Electron Microscope. The results show that the pretreatments on the basis of silane films modified with nanoalumina particles have reduced both anodic and cathodic current densities,and increased total impedance in the measured frequency,consequently,improving cor-rosion protection for hot dip galvanized steel during immersion in NaCl solutions compared to chromate films and silane films.

  18. BisGMA-polyvinylpyrrolidone blend based nanocomposites reinforced with chitosan grafted f-multiwalled carbon nanotubes

    Directory of Open Access Journals (Sweden)

    A. Praharaj

    2015-01-01

    Full Text Available In this work, initially a non-destroyable surface grafting of acid functionalized multiwalled carbon nanotubes (f-MWCNTs with biopolymer chitosan (CS was carried out using glutaraldehyde as a cross-linking agent via the controlled covalent deposition method which was characterized by Fourier transform infrared spectroscopy (FTIR and scanning electron microscopy (SEM. Then, BisGMA (bisphenol-A glycidyldimethacrylate-polyvinylpyrrolidone (PVP blend was prepared (50:50 wt% by a simple sonication method. The CS grafted f-MWCNTs (CS/f-MWCNTs were finally dispersed in BisGMA-PVP blend (BGP50 system in different compositions i.e. 0, 2, 5 and 7 wt% and pressed into molds for the fabrication of reinforced nanocomposites which were characterized by SEM. Nanocomposites reinforced with 2 wt% raw MWCNTs and acid f-MWCNTs were also fabricated and their properties were studied in detail. The results of comparative study report lower values of the investigated properties in nanocomposites with 2 wt% raw and f-MWCNTs than the one with 2 wt% CS/f-MWCNTs proving it to be a better reinforcing nanofiller. Further, the mechanical behavior of the nanocomposites with various CS/f-MWCNTs content showed a dramatic increase in Young’s Modulus, tensile strength, impact strength and hardness along with improved dynamic mechanical, thermal and electrical properties at 5 wt% content of CS/f-MWCNTs. The addition of CS/f-MWCNTs also resulted in reduced corrosion and swelling properties. Thus, the fabricated nanocomposites with optimum nanofiller content could serve as low cost and light weight structural, thermal and electrical materials compatible in various corrosive and solvent based environments.

  19. Synthesis and evaluation of copper radiopharmaceuticals with mixed bis(thiosemicarbazone) ligands

    International Nuclear Information System (INIS)

    Four 'mixed' bis(thiosemicarbazone) derivatives of pyruvaldehyde were synthesized that incorporate two dissimilar thiosemicarbazone functions. The corresponding [67Cu]copper(II) complexes were prepared and evaluated as possible copper radiopharmaceuticals. The pyruvaldehyde-based mixed bis(thiosemicarbazone) ligands, CH3C[=NNHC(S)NHMe]CH[=NNHC(S)NHEt] (1), CH3C[=NNHC(S)NHMe]CH[=NNHC(S)NEt2] (2), CH3C[=NNHC(S)NHMe]CH[=NNHC(S)-cyclo-N(CH2)5] (3), and CH3C[=NNHC(S)NHMe]CH[=NNHC(S)-cyclo-N(CH2)6] (4), were obtained by reaction of the appropriate thiosemicarbazide derivative with pyruvaldehyde-2-N4-methylthiosemicarbazone (CH3C[=NNHC(S)NHMe]CHO). The 67Cu-labeled copper(II) complexes of ligands 1-4 were prepared and screened in a rat model to assess the potential of each chelate as a 62Cu-radiopharmaceutical for imaging with positron emission tomography. The 67Cu-complexes of ligands 1-4 exhibit significant uptake into the brain and heart 1 min following intravenous administration to rats. For the 67Cu-complexes of ligands 2, 3, and 4, the cerebral and myocardial uptake of 67Cu is two-to-threefold lower at 2 h than at 1 min postinjection, due to significant biological clearance of these 67Cu-chelates. However, the 67Cu-complex of 1 affords cerebral and myocardial uptake and retention comparable to that of [67Cu]Cu-PTSM in this model. Although the kinetics of this new agent appear attractive, ultrafiltration studies using solutions of dog and human serum albumin reveal that the 67Cu-complex of ligand 1, like Cu-PTSM, interacts more strongly with human albumin than dog albumin. Thus, this new agent would appear to offer no advantage over Cu-PTSM as a 62Cu-labeled tracer for evaluation of regional tissue perfusion

  20. Synthesis of yellow emitting bis-pyrimidine based purely organic phosphors

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Vinod, E-mail: vinod.phy@gmail.com [Department of Physics, University of the Free State, Bloemfontein, PO Box 9300 (South Africa); Gohain, Mukut [Department of Chemistry, University of the Free State, Bloemfontein, PO Box 9300 (South Africa); Kumar, Vijay [Department of Physics, University of the Free State, Bloemfontein, PO Box 9300 (South Africa); Van Tonder, Johannes H.; Bezuidenhoudt, Barend C.B. [Department of Chemistry, University of the Free State, Bloemfontein, PO Box 9300 (South Africa); Ntwaeaborwa, O.M. [Department of Physics, University of the Free State, Bloemfontein, PO Box 9300 (South Africa); Swart, Hendrik C., E-mail: swarthc@ufs.ac.za [Department of Physics, University of the Free State, Bloemfontein, PO Box 9300 (South Africa)

    2014-05-01

    Two organic phosphors 5,5'-(4-pyridinylmethylene)bis[1,3-dimethyl-2,4,6-(1H,3H,5H) -pyrimidinetrione] (BP) and 5,5'-(4-nitrophenylmethylene)bis[1,3-dimethyl-2,4,6-(1H,3H,5H) -pyrimidinetrione] (BP-NO{sub 2}) have been synthesized through a one pot reaction of N,N-dimethylbarbituric acid and pyridine aldehyde in acetonitrile at 80 °C. The synthesized phosphors were characterized by single-crystal X-ray crystallography, Fourier transform infrared spectroscopy, UV–vis spectroscopy, thermogravimetry analysis and photoluminescence (PL) spectroscopy. A broadband PL emission spectrum ranging from 400 to 800 nm was recorded from both phosphors. The BP showed a luminescence peak at ca. 560 nm (2.21 eV), while the BP-NO{sub 2} exhibited a peak at 590 nm (2.1 eV), which reflect pure yellow emissions. The optimized geometry of the phosphors has been studied with a quantum chemical approach using the density functional theory. The highest occupied and lowest unoccupied molecular orbitals are predicted from the calculations. - Highlights: • Two stable organic phosphors to bridge the yellow gap were synthesized. • PL emission spectrum ranging from 400 to 800 nm was recorded for both. • Luminescence peaks were obtained at 560 nm (2.21 eV) and 590 nm (2.1 eV). • The optimized geometry was obtained with a quantum chemical approach using DFT. • The HOMO and LUMO orbitals were predicted from the calculations.