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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. MEKC determination of vanadium from mineral ore and crude petroleum oil samples using precapillary chelation with bis(salicylaldehyde)tetramethyl-ethylenediimine.

    Science.gov (United States)

    Mirza, Muhammad Aslam; Kandhro, Abdul Jabbar; Khuhawar, Muhammad Yar; Arain, Rafee

    2009-09-01

    An analytical procedure has been developed for the separation of Cu(II), Ni(II), Co(II), Fe(II), Pd(II), Th(IV), V(IV), and determination of Fe(II), Co(II), Ni(II), and V(IV) by MEKC after chelation with bis(salicylaldehyde)tetramethylethylenediimine (H(2)SA(2)Ten). Uncoated fused silica capillary was used with an applied voltage of 30 kV with photo-diode array detection at 228 nm. SDS was added as micellar medium at pH 8.2 with sodium tetraborate buffer (0.1 M). Linear calibrations were established within 0.015-1000 microg/mL of each element with LOD within 5-67 ng/mL. The method was applied for the determination of vanadium from crude oil and ore samples in the range 0.34-2.40 and 114.2-720.7 microg/g with RSD 1.7-3.8 and 0.98-2.30% (n = 3), respectively. Fe, Ni, and Co present in crude oil and ore samples were also determined with RSD 1.3-2.8, 1.1-4.1, and 1.2-3.5% (n = 3), respectively. The results were compared with that of supplier's specifications and atomic absorption spectrometry (AAS). Method was evaluated by standard addition technique.

  3. Syntheses, characterization, biological activity and fluorescence properties of bis-(salicylaldehyde)-1,3-propylenediimine Schiff base ligand and its lanthanide complexes

    Science.gov (United States)

    Taha, Ziyad A.; Ajlouni, Abdulaziz M.; Al-Hassan, Khader A.; Hijazi, Ahmed K.; Faiq, Ari B.

    2011-10-01

    Eight new lanthanide metal complexes [Ln L(NO 3) 2]NO 3 {Ln(III) = Nd, Dy, Sm, Pr, Gd, Tb, La and Er, L = bis-(salicyladehyde)-1,3-propylenediimine Schiff base ligand} were prepared. These complexes were characterized by elemental analysis, thermogravimetric analysis (TGA), molar conductivity measurements and spectral studies ( 1H NMR, FT-IR, UV-vis, and luminescence). The Schiff base ligand coordinates to Ln(III) ion in a tetra-dentate manner through the phenolic oxygen and azomethine nitrogen atoms. The coordination number of eight is achieved by involving two bi-dentate nitrate groups in the coordination sphere. Sm, Tb and Dy complexes exhibit the characteristic luminescence emissions of the central metal ions attributed to efficient energy transfer from the ligand to the metal center. Most of the complexes exhibit antibacterial activity against a number of pathogenic bacteria.

  4. Synthesis and spectral studies of macrocyclic Pb(Ⅱ), Zn(Ⅱ), Cd(II)and La(Ⅲ) complexes derived from 1,4-bis(3-aminopropoxy)butane with metal nitrate and salicylaldehyde derivatives

    Institute of Scientific and Technical Information of China (English)

    Salih Ilhan; Hamdi Temel; Salih Pasa

    2009-01-01

    Eight new macrocyclic complexes were synthesized by template reaction of 1,4-bis(3-aminopropoxy)butane with metal nitrate and 1,3-bis(2-forrnylphenyl)propane or 1,4-bis(2-formylphenyl)butane and their structures were proposed on the basis of elemental analysis, FTIR, UV-vis, molar conductivity measurements, 1H NMR and mass spectra. The metals to ligand molar ratios of the complexes were found to be 1:1. The complexes are 1:2 electrolytes for Pb(II), Zn(II) and Cd(II) complexes and 1:3 electrolytes for La(lIl) as shown by their molar conductivities (Am) in DMSO at 10-3 tool L-l. Due to the existence of free ions in these complexes,such complexes are electrically conductive. The configurations of La(Ⅲ) and Pb(U) were proposed to probably octahedral and Zn(II) and Cd(II) complexes were proposed to probably tetrahedral.

  5. (Z)-Selective Takai olefination of salicylaldehydes

    Science.gov (United States)

    Galloway, Warren R J D; Sore, Hannah F; Goodman, Jonathan M

    2017-01-01

    The Takai olefination (or Takai reaction) is a method for the conversion of aldehydes to vinyl iodides, and has seen widespread implementation in organic synthesis. The reaction is usually noted for its high (E)-selectivity; however, herein we report the highly (Z)-selective Takai olefination of salicylaldehyde derivatives. Systematic screening of related substrates led to the identification of key factors responsible for this surprising inversion of selectivity, and enabled the development of a modified mechanistic model to rationalise these observations.

  6. 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.

  7. Synthesis and Application of Heavy Metal Capturing Agent Salicylaldehyde Schiff Base%重金属离子捕集剂水杨醛双Schiff碱的合成及应用

    Institute of Scientific and Technical Information of China (English)

    蔡丽华; 毕学; 封孝华

    2011-01-01

    以2,6-吡啶二甲酸、乙二胺及水杨醛等为原料合成了一种重金属离子捕集剂水杨醛双Schiff碱N,N'-双(2-水杨醛亚胺基乙基)-2,6-吡啶二甲酰胺(Ⅱ),并以其为配体与一些重金属离子(如Cu2+、Pb2+、Hg2+、Cr3+等)进行螯合反应.结果表明,配体化合物Ⅱ能与重金属离子生成稳定性较高且不溶于水的螯合物,可以去除废水中的重金属离子.%A heavy metal capturing agent, salicylaldehyde Schiff base N, N'-bis(2-salicylaldehyde-iminoethyl)-2,6-pyridinedicarboxylic diamide( Ⅱ ), was synthesized with 2, 6-pyridinedicarboxylic acid, ethylenediamine and salicylaldehyde as raw materials. And then it reacted as a ligand with some heavy metal ions such as Cu2+ ,Pb2+ , Hg2+ , Cr3+. The result showed that the ligand could react with the heavy metal ions to obtain chelates,which was insoluable in water and had high stability, so it could remove heavy metal ions in wastewater.

  8. Silicon-containing bis-azomethines: Synthesis, structural characterization, evaluation of the photophysical properties and biological activity

    Science.gov (United States)

    Zaltariov, Mirela-Fernanada; Vlad, Angelica; Cazacu, Maria; Avadanei, Mihaela; Vornicu, Nicoleta; Balan, Mihaela; Shova, Sergiu

    2015-03-01

    A new diamine, (dimethylsilanediyl)bis(methylene)bis(4-aminobenzoate) (1), containing dimethylsilane spacer, was prepared by the condensation of p-aminobenzoic acid with bis(chloromethyl)dimethylsilane. This was subsequently reacted with salicylaldehyde, 3-hydroxy-salicylaldehyde, and 3-methoxy-salicyladehyde, when corresponding Schiff bases (E)-(dimethylsilanediyl)bis(methylene)bis(4-((E)-(2-hydroxybenzilidene)amino)benzoate (2), (E)-(dimethylsilanediyl)bis(methylene)bis(4-((E)-(2-hydroxybenzilidene)amino)benzoate (3), and (E)-(dimethylsilanediyl)bis(methylene) bis(4-((E)-(2-hydroxy-3-methoxybenzilidene)amino)benzoate (4), respectively were formed. All the obtained compounds were structurally characterized by spectral (FT-IR, 1HNMR, 13CNMR) analyses and single crystal X-ray diffraction. Photophysical studies revealed that the new prepared Schiff bases are good UV light absorbing and fluorescent materials. Thus, they exhibit strong UV/Vis-absorption at 250-400 nm and violet or orange emission, in sensitive dependence on the polarity of the solvents and the nature of the substituent (sbnd H, sbnd OH and sbnd OCH3) at the aromatic ring. The antimicrobial activity of these compounds was first studied in vitro by the disk diffusion assay against two species of bacteria and three fungi. The minimum inhibitory concentration was then determined with the reference of standard compounds. The results displayed that Schiff bases 3 and 4 having hydroxy- and methoxy-substituents on the aromatic ring were better inhibitors of both types of species (bacteria and fungi) than standard compounds, Caspofungin and Kanamycin.

  9. Antimicrobial salicylaldehyde Schiff bases: synthesis, characterization and evaluation.

    Science.gov (United States)

    Adeel-Sharif, Hafiz Muhammad; Ahmed, Dildar; Mir, Hira

    2015-03-01

    As the pathogens soon develop resistance to the existing antibiotics, the demand for new and more effective anti-microbial agents is a continuous phenomenon. In this paper we are reporting synthesis and spectral data of eight Schiff bases of salicylaldehyde with different amines, and evaluation of their anti-microbial activities against different bacterial strains. The bases were synthesized by reflux method, and their structures were determined based FT-IR, (1)H-NMR, (13)C-NMR and Mass spectrometric data. The Schiff bases synthesized included 2-{[(Z)-(2-hydroxyphenyl) methylidene] amino}benzoicacid (SB1), 4-{[(Z)-(2-hydroxyphenyl) methylidene] amino} benzoic acid (SB2),2-[(naphthalene-2-ylimino)methyl] phenol(SB3),2-2'-[benzene-1,4-diylbis(nitrilomethylylidene)]diphenol (SB4), 2-2'-[benzene-1,2-diylbis (nitrile-(E)-methylylidene)]diphenol (SB5), 2-[(2-phenylhydrazineylidene)methyl]phenol (SB6), 2-2'-[ethene-1,2-diylbis(iminomethanediyl)]diphenol (SB7) and 2-[(Z)-(phenylimino)methyl]phenol (SB8). The anti-microbial activities of synthesized Schiff bases were determined in terms of zones of inhibition and minimum inhibitory concentrations (MICs). All the bases showed moderate to good activities against all the tested microorganisms. The MICs of most compounds were 100-200βg/mL against different microorganisms. However, it was 50βg/mL for SB1 against P. aeruginosa (1), SB3 against P. aurantiaca, P. aeruginosa (1), E. coli (2), S. typhi (2) and C. freundii, SB4against E. coli (2), S. typhi (1) and S. maltophilia, SB5 against K. pneumoniae and S. typhi (2), SB6 against P. aeruginosa (3) and C. freundii, SB7 against E. cloacae and A. lipoferum, and SB8 against E. coli (2). Considerably active bases may prove to be potential candidates for future antibiotic drugs.

  10. Allergic contact dermatitis from salicyl alcohol and salicylaldehyde in aspen bark (Populus tremula).

    Science.gov (United States)

    Aalto-Korte, Kristiina; Välimaa, Jarmo; Henriks-Eckerman, Maj-Len; Jolanki, Riitta

    2005-02-01

    Salicyl alcohol or 2-methylolphenol is a well-known allergen in phenol-formaldehyde resins and a strong sensitizer in guinea pigs. There is 1 previous report of allergic contact dermatitis from salicyl alcohol in aspen bark. We describe a second case with concomitant allergy to salicylaldehyde. An elk researcher who had handled leaves from various trees presented with eczema of the hands, face, flexures, trunk and extremities. Patch testing showed sensitivity to salicyl alcohol, salicylaldehyde, balsam of Peru (Myroxylon pereirae resin), aspen wood dust and an extract prepared from the bark of aspen (Populus tremula). Weaker reactions were observed to bark extracts of rowan (Sorbus aucuparia), tea-leaved willow (Salix phylicifolia) and goat willow (Salix caprea). We analysed salicyl alcohol and salicylaldehyde in the bark extracts and found the 2 chemicals in equal amounts, about 0.9 microg/mg in aspen bark and in lower concentrations in rowan and the willows. We did not find either of the chemicals in the test substance of balsam of Peru (Myroxylon pereirae). Besides salicyl alcohol, salicylaldehyde is also recommended to be used to screen for contact allergy to aspen. Both of these chemicals should be tested in forest workers in areas where aspen is growing.

  11. Antimicrobial synergism and antagonism of salicylaldehyde in Filipendula vulgaris essential oil.

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    Radulović, N; Misić, M; Aleksić, J; Doković, D; Palić, R; Stojanović, G

    2007-12-01

    The leaf essential oil of Filipendula vulgaris, consisting mainly of salicylaldehyde (68.6%), was screened for its antimicrobial activity by the disk diffusion and microdilution broth assays. The essential oil remarkably inhibited the growth of all of the tested bacteria and fungi. It seems that the antimicrobial nature of F. vulgaris essential oil can be attributed to the synergistic interactions of the compounds constituting the oil rather than to the presence of a single inhibitory agent. A synergy in salicylaldehyde/linalool mixtures was observed with a maximum interaction situated in the range between 60:40 and 80:20 (mol ratio). At this concentration range (at a dose of 1.7 microg/disk) no microbial growth was observed while the respective pure compounds, at the corresponding quantities, are shown to be dramatically less active. The MIC value for the 60:40 mixture was determined to be less that 0.009 mg/ml. In addition, an antagonistic relationship between salicylaldehyde and methyl salicylate was established. The maximum (negative) interaction was shown to correspond approximately to the mixture at the 40:60 (methyl salicylate/salicylaldehyde) mol ratio resulting in the complete loss of activity at the investigated dose.

  12. BIS 220 Tutorials /bis220dotcom

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    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...

  13. BIS 220 Tutorials / bis220dotcom

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    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...

  14. Ru(ii)-Catalyzed C-H activation and annulation of salicylaldehydes with monosubstituted and disubstituted alkynes.

    Science.gov (United States)

    Baruah, Swagata; Kaishap, Partha Pratim; Gogoi, Sanjib

    2016-10-27

    The Ru(ii)-catalyzed C-H activation and annulation reaction of salicylaldehydes and disubstituted alkynes affords chromones in high yields. This reaction also works with terminal alkynes and tolerates a wide range of sensitive functional groups. The selectivity pattern of this Ru(ii)-catalyzed annulation reaction is different from the known Au(i), Rh(iii)-catalyzed annulation reactions of salicylaldehydes and terminal alkynes.

  15. Synthesis of Some Salicylaldehyde-Based Schiff Bases in Aqueous Media

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    Sunita Bhagat

    2013-01-01

    Full Text Available A new efficient and environmental friendly procedure for the synthesis of a series of salicylaldehyde-based schiff bases under microwave irradiation is described. The method is compared with the conventional method also. The present work involves condensation of salicylaldehyde with various aromatic amines in water under microwave irradiation. A judicious choice of the solvent and reaction conditions allowed the final products to be generated in excellent yields in a one-step procedure, whereas experiments under thermal conditions led to lower yields with tedious work-up. Microwave irradiation method gives advantages like reduction in reaction time, increase in conversion, reduced wastes, and good yields. The structures of synthesized compounds were confirmed by IR, 1HNMR, and Mass Spectra data.

  16. The versatility of salicylaldehyde thiosemicarbazone in the determination of copper in blood using adsorptive stripping voltammetry.

    Science.gov (United States)

    Mahajan, Rakesh Kumar; Walia, T P S; Sumanjit; Lobana, T S

    2005-10-15

    The adsorptive cathodic stripping voltammetry technique (AdCSV) is used to determine copper(II) using salicylaldehyde thiosemicarbazone (N, S- donor) as a complexing agent on hanging mercury drop electrode at pH 9.3. Variable factors affecting the response, i.e. the concentration of ligand, pH, adsorption potential and adsorption time are assessed and optimized. The adsorbed complex of copper(II) and salicylaldehyde thiosemicarbazone gives a well defined cathodic stripping peak current at -0.35 V, which has been used for the determination of copper in the concentration range of 7.85 x 10(-9) to 8.00 x 10(-6)M with accumulation time of 360 s at -0.1 V versus Ag/AgCl. This technique has been applied for the determination of copper in various digested samples of whole blood at trace levels.

  17. 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 (K(q)), apparent quenching constant (K(SV)), effective binding constant (K(A)) and corresponding dissociation constant (K(D)), 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 ASSchiff-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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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...

  4. Microwave-Assisted Organocatalyzed Rearrangement of Propargyl Vinyl Ethers to Salicylaldehyde Derivatives: An Experimental and Theoretical Study.

    Science.gov (United States)

    Tejedor, David; Cotos, Leandro; Márquez-Arce, Daniel; Odriozola-Gimeno, Mikel; Torrent-Sucarrat, Miquel; Cossío, Fernando P; García-Tellado, Fernando

    2015-12-07

    The microwave-assisted imidazole-catalyzed transformation of propargyl vinyl ethers (PVEs) into multisubstituted salicylaldehydes is described. The reaction is instrumentally simple, scalable, and tolerates a diverse degree of substitution at the propargylic position of the starting PVE. The generated salicylaldehyde motifs incorporate a broad range of topologies, spanning from simple aromatic monocycles to complex fused polycyclic systems. The reaction is highly regioselective and takes place under symmetry-breaking conditions. The preparative power of this reaction was demonstrated in the first total synthesis of morintrifolin B, a benzophenone metabolite isolated from the small tree Morinda citrifolia L. A DFT study of the reaction was performed with full agreement between calculated values and experimental results. The theoretically calculated values support a domino mechanism comprising a propargyl Claisen rearrangement, a [1,3]-H shift, a [1,7]-H shift (enolization), a 6π electrocyclization, and an aromatization reaction.

  5. Controllable Rh(III)-Catalyzed Annulation between Salicylaldehydes and Diazo Compounds: Divergent Synthesis of Chromones and Benzofurans.

    Science.gov (United States)

    Sun, Peng; Gao, Shang; Yang, Chi; Guo, Songjin; Lin, Aijun; Yao, Hequan

    2016-12-16

    A Rh(III)-catalyzed annulation between salicylaldehydes and diazo compounds with controllable chemoselectivity is described. AgNTf2 favored benzofurans via a tandem C-H activation/decarbonylation/annulation process, while AcOH led to chromones through a C-H activation/annulation pathway. The reaction exhibited good functional group tolerance and scalability. Moreover, only a single regioisomer of benzofuran was obtained due to the in situ decarbonylation orientation effect.

  6. 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.

  7. Evolutionary, computational, and biochemical studies of the salicylaldehyde dehydrogenases in the naphthalene degradation pathway

    Science.gov (United States)

    Jia, Baolei; Jia, Xiaomeng; Hyun Kim, Kyung; Ji Pu, Zhong; Kang, Myung-Suk; Ok Jeon, Che

    2017-01-01

    Salicylaldehyde (SAL) dehydrogenase (SALD) is responsible for the oxidation of SAL to salicylate using nicotinamide adenine dinucleotide (NAD+) as a cofactor in the naphthalene degradation pathway. We report the use of a protein sequence similarity network to make functional inferences about SALDs. Network and phylogenetic analyses indicated that SALDs and the homologues are present in bacteria and fungi. The key residues in SALDs were analyzed by evolutionary methods and a molecular simulation analysis. The results showed that the catalytic residue is most highly conserved, followed by the residues binding NAD+ and then the residues binding SAL. A molecular simulation analysis demonstrated the binding energies of the amino acids to NAD+ and/or SAL and showed that a conformational change is induced by binding. A SALD from Alteromonas naphthalenivorans (SALDan) that undergoes trimeric oligomerization was characterized enzymatically. The results showed that SALDan could catalyze the oxidation of a variety of aromatic aldehydes. Site-directed mutagenesis of selected residues binding NAD+ and/or SAL affected the enzyme’s catalytic efficiency, but did not eliminate catalysis. Finally, the relationships among the evolution, catalytic mechanism, and functions of SALD are discussed. Taken together, this study provides an expanded understanding of the evolution, functions, and catalytic mechanism of SALD. PMID:28233868

  8. 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.

  9. Study on interaction between salicylaldehyde l-serine schiff base and human serum albumin by fluorescence spectroscopy

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    Yang Yanqiu

    2017-01-01

    Full Text Available The interaction of salicylaldehyde L-serine Schiff base (L with human serum albumin (HSA was examined by fluorescence emission spectra at the excitation wavelength 290 nm. Through fluorescence quenching experiments, it was confirmed that the combination of L with HSA was static quenching process. Thermodynamic parameters, such as ΔG, ΔH and ΔS, were calculated at different temperatures, showing that van der Waals force or hydrogen bond interaction were mostly responsible for the binding of L to HSA. The experiments results showed that the microenvironment and the conformation of HSA changed during the binding reaction.

  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.

  11. Synthesis of silica gel supported salicylaldehyde modified PAMAM dendrimers for the effective removal of Hg(II) from aqueous solution.

    Science.gov (United States)

    Niu, Yuzhong; Qu, Rongjun; Chen, Hou; Mu, Lei; Liu, Xiguang; Wang, Ting; Zhang, Yue; Sun, Changmei

    2014-08-15

    A series of silica gel supported salicylaldehyde modified PAMAM dendrimers (SiO2-G0-SA ∼ SiO2-G2.0-SA) were synthesized and their structures were characterized by FTIR, XRD, SEM, TGA, and porous structure analysis. The feasibility of these adsorbents for the removal of Hg(II) from aqueous solution was first described and the adsorption mechanism was proposed. The adsorption was found to depend on solution pH, the generation number of salicylaldehyde modified PAMAM dendrimers, contact time, temperature, and initial concentration. Results showed that the optimal pH was about 6 and the adsorption capacity increased with the increasing of generation number. Density functional theory (DFT) method was used to investigate the coordination geometries and the chelating mechanism. Adsorption kinetics was found to follow the pseudo-second-order model with film diffusion process as rate controlling step. Adsorption isotherms revealed that adsorption capacities increased with the increasing of temperature. Langmuir, Freundlich and Dubinin-Radushkevich (D-R) isotherm models were employed to analyze the equilibrium data. The adsorption can be well described by Langmuir isotherm model and took place by chemical mechanism. The thermodynamics properties indicated the adsorption processes were spontaneous and endothermic nature. The maximum adsorption capacity of SiO2-G0-SA, SiO2-G1.0-SA, and SiO2-G2.0-SA were 0.91, 1.52, and 1.81 mmol g(-1), respectively. The considerable higher adsorption capacity compared with other adsorbents indicates SiO2-G0-SA ∼ SiO2-G2.0-SA are favorable and useful for the uptake of Hg (II), and can be potentially used as promising adsorbents for the effective removal of Hg(II) from aqueous solution.

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

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    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.

  13. 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

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    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.

  14. Synthesis and Crystal Structure of 4-Salicylimine-3, 5-bis(2-hydroxyphenyl)-1, 2, 4-triazole

    Institute of Scientific and Technical Information of China (English)

    吉保明; 杜明霞; 朱玉; 王洋

    2002-01-01

    The title compound, 4-salicylimine-3, 5-bis(2-hydroxyphenyl)-1, 2, 4-triazole, was obtained by the condensation reaction of 4-amino-3, 5-bis(2-hydroxyphenyl)-1, 2, 4-triazole with salicylaldehyde in methanol. The crystal structure (C21H16N4O3, Mr = 372.38) belongs to monoclinic system, space group P21/n with a = 10.507(2), b = 16.878(3), c = 11.199(2) ?, β = 110.86(3)(, V = 1855.9(6) ?3, Z = 4, Dc = 1.333 g/cm3, F(000) = 776, μ(MoKα) = 0.092 mm-1, R = 0.0552 and wR = 0.1095 for 1920 reflections ( I > 2.0σ(I) ). The analytical results of crystal structure show that there are two different non-covalent interactions in the compound. One is hydrogen bond, and the other (-( stacking interaction. These two types of non-covalent interactions play an important role in the packing of crystal.

  15. Light-Induced Bistability in Iron(III) Spin-Transition Compounds of 5 X-Salicylaldehyde Thiosemicarbazone (X=H, Cl, Br).

    Science.gov (United States)

    Yemeli, Eddy W T; Blake, Graeme R; Douvalis, Alexios P; Bakas, Thomas; Alberda van Ekenstein, Gert O R; van Koningsbruggen, Petra J

    2010-10-19

    The iron(III) spin-crossover compounds [Fe(Hthsa)(thsa)]⋅H2 O (1), [Fe(Hth5Clsa)(th5Clsa)2 ]⋅H2 O (2), and [Fe(Hth5Brsa)(th5Brsa)2 ]⋅H2 O (3) (H2 thsa=salicylaldehyde thiosemicarbazone, H2 th5Clsa=5-chlorosalicylaldehyde thiosemicarbazone, and H2 th5Brsa=5-bromosalicylaldehyde thiosemicarbazone) have been synthesized and their spin-transition properties investigated by magnetic susceptibility, Mössbauer spectroscopy, and differential scanning calorimetry measurements. The three compounds exhibit an abrupt spin transition with a thermal hysteresis effect. The more polarizable the substituent on the salicylaldehyde moiety, the more complete is the transition at room temperature with an increased degree of cooperativity. The molecular structures of 1 and 2 in the high-spin state are revealed. The occurrence of the light-induced excited-spin-state trapping phenomenon appears to be dependent on the substituent incorporated into the 5-position of the salicylaldehyde subunit. Whereas the compounds with an electron-withdrawing group (-Br or -Cl) exhibit light-induced trapped excited high-spin states with great longevity of metastability, the halogen-free compound does not, even though strong intermolecular interactions (such as hydrogen-bonding networks and π stacking) operate in the system. For compound 2, the surface level of photoconversion is less than 35 %. In contrast, compound 3 displays full photoexcitation.

  16. 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.

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

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    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.

  18. Synthesis of naphthalene-salicylaldehyde pitch resin%萘-水杨醛沥青树脂的合成研究

    Institute of Scientific and Technical Information of China (English)

    高亮亮; 赖仕全; 岳莉; 赵雪飞; 周广明; 侯科

    2013-01-01

    A novel naphthalene-salicylaldehyde pitch resin has been synthesized using naphthalene as monomer and salicylaldehyde as cross-linking agent in the presence of p-toluene sulfonic acid.FT-IR was used to study the reaction mechanism.The thermal weight loss behavior of the synthesized resin was characterized by TGA.The effects of synthesis conditions on the softening point and coking value of the pitch resin as well as its yield were investigated by single factor experiments.The results showed that the reaction of naphthalene and salicylaldehyde is a positive ion-typed condensation polymerization catalyzed by acid.The suitable conditions for synthesizing the naphthalene-salicylaldehyde pitch resin were:the amount of substance ratio of 1 ∶ 1,the reaction temperature of 150 C,the reaction time of 300 min and the usage of catalyst 10%.Under the optimal conditions,the pitch resin exhibits the yield of 81.4%,the softening point of 79.6 C and the coking value of 29.3%.The steric effect of hydroxyl group in salicylaldehyde is helpful to synthesize pitch resin binder with low softening point.%以萘为单体,水杨醛为交联剂,在对甲基苯磺酸催化作用下合成了一种新型的萘-水杨醛沥青树脂.采用FT-IR研究了反应机理;采用TGA分析了合成树脂的热失重行为;通过单因素实验,考察了合成条件对沥青树脂收率、软化点和结焦值的影响规律.结果表明,萘与水杨醛在酸催化下发生了阳离子型缩聚反应;萘-水杨醛沥青树脂适宜的合成工艺条件为:萘和水杨醛的物质量比为1∶1,反应温度为150℃,反应时间为300 min,催化剂用量为10%.在此条件下,合成沥青树脂的收率为81.4%,软化点为79.6℃,结焦值为29.3%.水杨醛中羟基的位阻作用,有利于合成低软化点的沥青树脂黏结剂.

  19. Bis(1-adamantylammonium hexafluoridogermanate

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    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.

  20. 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.

  1. 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

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    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.

  2. Bis[μ-3,5-bis(pyridin-2-ylpyrazolato]bis[(hexafluorophosphatocopper(II

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    Satoshi Kawata

    2013-08-01

    Full Text Available The title dinuclear complex molecule, [Cu2(C13H9N42(PF62], lies about an inversion center. The CuII atom shows a square-pyramidal coordination geometry with the basal plane formed by four N atoms of the two bis-chelating 3,5-bis(pyridin-2-ylpyrazolate ions and with one F atom of the hexafluorophosphate ion in the apical position. Molecules are stacked in a column along the a axis through C—H...F hydrogen bonds. The columns are further linked by other C—H...F hydrogen bonds, forming a three-dimensional network.

  3. [1,2-Bis(diphenylphosphinoethane]{2-[bis(diphenylphosphinomethylamino]pyridinium}fluoridohydrazidatomolybdenum(IV bis(tetrafluoridoborate

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    Felix Tuczek

    2008-05-01

    Full Text Available In the crystal structure of the title compound, [MoF(N2H2(C31H29N2P2(C26H24P2](BF42, each Mo atom is surrounded by four P atoms of one 1,2-bis(diphenylphosphinoethane and one 2-[bis(diphenylphosphinomethylamino]pyridinium ligand. The remaining binding sites of the distorted octahedron are occupied by a hydrazidate (NNH22− and a fluoride ligand. Two F atoms of an anion are disordered over two positions; the site occupancy factors are ca 0.7 and 0.3.

  4. Synthesis, characterization, and thermodynamics of some new unsymmetrical Schiff bases of salicylaldehyde with 3,4-diaminopyridine and their cobalt(III) complexes.

    Science.gov (United States)

    Asadi, Mozaffar; Torabi, Susan; Mohammadi, Khosro

    2014-03-25

    Some new Schiff bases derived from 3,4-diaminopyridine (3,4-DAP) and their new unsymmetrical Co(III) five coordinate complexes described as [Co(Chel)(L)]ClO4⋅H2O where (Chel) is the deprotonated form of a series of unsymmetric ligands containing 3,4-diaminopyridine (3,4-DAP) and substituted salicylaldehyde moieties and a new Co(III) six coordinate Co(III) complex, were synthesized and characterized by (1)H NMR, IR, UV-Vis, and elemental analysis. For the new synthesized five coordinate complexes, the formation constants of the interaction of the Co(III) Schiff bases with various donors were measured spectrophotometrically. The trend of the formation constants of the five coordinate Co(III) Schiff base complexes toward a given phosphine is as follow: 5-H>5-Br and the formation constants trend of these donors are as follow: PBu3>PPh2Me. Furthermore the adduct formation of the five coordinate [Co(3,4-Salpyr)(PBu3)] ClO4⋅H2O, with aromatic amines shows the following binding trend: Im>2-MeIm>2-EtIm>BzIm. The trend of the formation constants of Co(III) Schiff base complexes toward a given donor according to the phosphine axial ligand is as follow: PBu3>PPh2Me.

  5. Synthesis, characterization and biological activity of Cu(II), Ni(II) and Zn(II) complexes of biopolymeric Schiff bases of salicylaldehydes and chitosan.

    Science.gov (United States)

    de Araújo, Eliene Leandro; Barbosa, Hellen Franciane Gonçalves; Dockal, Edward Ralph; Cavalheiro, Éder Tadeu Gomes

    2017-02-01

    Schiff bases have been prepared from biopolymer chitosan and salicylaldehyde, 5-methoxysalicylaldehyde, and 5-nitrosalicylaldehyde. Ligands were synthesized in a 1:1.5mol ratio, and their Cu(II), Ni(II) and Zn(II) complexes in a 1:1mol ratio (ligand:metal). Ligands were characterized by (1)H NMR and FTIR, resulting in degrees of substitution from 43.7 to 78.7%. Complexes were characterized using FTIR, electronic spectra, XPRD. The compounds were confirmed by the presence of an imine bond stretching in the 1630-1640cm(-1) and νMetal-N and νMetal-O at Schiff base complexes presented lower thermal stability and crystallinity than the starting chitosan. Residues were the metallic oxides as confirmed by XPRD, whose amounts were used in the calculation of the percentage of complexed metal ions. Surface morphologies were analyzed with SEM-EDAX. Preliminary cytotoxicity tests were performed using MTT assay with HeLa cells. Despite the differences in solubility, the free bases presented relatively low toxicity.

  6. Synthesis of salicylaldehyde and related derivatives used by magnesium methoxide%甲醇镁作用下合成水杨醛及其衍生物

    Institute of Scientific and Technical Information of China (English)

    张家祥; 欧阳杰; 孙华东; 吕晓兰; 王春颖; 曹磊

    2011-01-01

    以苯酚和带有取代基的苯酚为原料,在甲醉镁的作用下采用多聚甲醛进行甲酰化反应,合成了水杨醛,5-甲基水杨醛和3-甲酰基-4羟基苯甲酸乙醋.与传统的甲酰化方法相比,具有收率较高、产品纯度较高、原料廉价易得等优点,产物的结构经过IR和1H-NMR进行了表征.%Salicylaldehyde, 2-hydroxy-5-methylbenzaldehyde and ethyl -3-formyl-4-hydroxybenzoate were synthesized from phenol and substituted phenol. The hydroformylation were achieved by using magnesium methoxide and paraformaldehyde.Compared with the traditional reaction, the new method got many advantages , such as high yield, high purity and cheap raw materials. The structure of the products was characterized by IR and 1H - NMR.

  7. 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%.

  8. Trisodium scandium bis(orthoborate

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    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.

  9. Synthesis, spectral, thermal and thermodynamic studies of oxovanadium(IV) complexes of Schiff bases derived from 3,4-diaminobenzoic acid with salicylaldehyde derivatives.

    Science.gov (United States)

    Mohammadi, Khosro; Niad, Mahmood; Irandoost, Amene

    2013-04-15

    Synthesis and evaluation of three new oxovanadium(IV) complexes, formed by the interaction of vanadyl acetylacetonate and the Schiff bases: 3,4-bis((E)-2-hydroxybenzylideneamino)benzoic acid (L(1)), 3,4-bis-((E)-2-hydroxy-3-methoxybenzylideneamino)benzoic acid (L(2)) and 3,4-bis((E)-2,4-dihydroxybenzylideneamino)benzoic acid (L(3)) in methanol. The complexes have been characterized and studied by IR spectra, UV-Vis spectroscopy and thermogravimetry in order to evaluate their thermal stability and thermal decomposition. According to the results discussed from TG curves, the order of thermal stability for the complexes is VOL(3)>VOL(1)>VOL(2). Their formation constants (Kf) were obtained by UV-Vis spectroscopic titration at 15, 25, 35 and 45 °C in methanol by SQUAD software. The trend of formation constants of the complexes as follows: VOL(3)>VOL(2)>VOL(1).

  10. 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...

  11. 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)...

  12. 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)

  13. 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.

  14. (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.

  15. Bis[1,3-bis(2-cyanophenyltriazenido]mercury(II

    Directory of Open Access Journals (Sweden)

    Mohammad Kazem Rofouei

    2009-10-01

    Full Text Available In the title compound, [Hg(C14H8N52], the central atom is four-coordinated by two bidentate 1,3-bis(2-cyanophenyltriazenide ligands in a distorted square-planar geometry. The asymmteric unit is composed of one ligand molecule and one HgII ion, which is disordered over two sites, one lying on an inversion center and the other on a general position with site-occupancy factors of 0.2378 (7 and 0.3811 (7, respectively. The monomeric molecules of the complex are linked into pairs through non-classical C—H...N hydrogen bonds. The resulting dimeric units are assembled by translation along the crystallographic c axis into chains linked through secondary π–π interactions [centroid–centroid distances = 3.685 (2 and 3.574 (2 Å], as well as C—H...π stacking interactions, resulting in a two-dimensional architecture.

  16. 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)

  17. 乙二胺水杨醛双Schiff碱Cr(Ⅲ)配合物的合成与表征%Synthesis and Characterization of Cr(Ⅲ) Complex with Salicylaldehyde-Ethylenediamine Double Schiff Base

    Institute of Scientific and Technical Information of China (English)

    李艳; 李军喜; 陆兰青

    2013-01-01

    以水扬醛与乙二胺为原料合成乙二胺水扬醛双Schiff碱,并进一步与Cr(Ⅲ)络合得到金属配合物;采用元素分析、紫外可见吸收光谱、红外光谱对乙二胺水杨醛双Schiff碱及其Cr(Ⅲ)配合物的结构进行了表征.结果表明,合成的乙二胺水杨醛双Schiff碱配体及其Cr(Ⅲ)配合物的分子结构与理论结构相符;乙二胺水杨醛双Schiff碱配体及其Cr(Ⅲ)配合物均有一定的抗茵活性,且Cr(Ⅲ)配合物的抗茵活性更好.%The ligand of salicylaldehyde-ethylenediamine double Schiff base was synthesized by Schiff base reaction using ethylenediamine and salicylaldehyde as raw materials. The metal complex was prepared by com-plexing Cr(Ⅲ) with the double Schiff base. The structure of ligand and Cr(Ⅲ) complex were characterized by elemental analysis,UV-Vis absorption spectrum,and IR spectrum. The results proved that the structure of ligand and Cr(Ⅲ) complex conformed with the target construction. The double Schiff base and its Cr(Ⅲ) complex both had antibacterial activity,and the complex had the stronger activity.

  18. Synthesis,Crystal Structure and Thermal Decomposition of Bis[(N-salicylidene-N'-aminoethanol)dioxovandium(Ⅴ)]%水杨醛缩乙醇胺双氧钒席夫碱配合物的合成、晶体结构及热分解研究

    Institute of Scientific and Technical Information of China (English)

    李连之; 许涛; 王大奇; 冀海伟

    2004-01-01

    A new complex bis[(N-salicylidene-N'-aminoethanol)dioxovandium(Ⅴ)], [V(Ⅴ)O2(SALAE)]2, was synthesized by the reaction of salicylaldehyde and aminoethanol with vanadyl sulfate. It was characterized by elemental analysis,IR and X-ray single crystal diffraction analysis. The crystal of the title complex (C18H20N2O8V2, Mr = 494.24) belongs to monoclinic, space group P21/c with the following crystallographic parameters: a = 1.7966(6) nm, b =1.006 mm-1, F(000) =1512, and final R1 = 0.0563, wR2 = 0.1243 for observed reflections 2861(I > 2σ(I)). The complex is a bis(μ-oxo)-bridged V(Ⅴ) schiff base dimer formed by two dioxovandium units, V(Ⅴ) is six-coordinated and forms a distorted octahedral structure. The thermal decomposition for the complex was studied by TG-DTG curves and the apparent activation energy was obtained by the Kissinger formula. CCDC: 211147.

  19. [(Dimethylaminomethyl]dimethylazanium bis(trifluoromethanesulfonylamide

    Directory of Open Access Journals (Sweden)

    Michael Hummel

    2016-10-01

    Full Text Available The title molecular salt, C5H15N2+·C2F6NO4S2−, was obtained by a proton transfer reaction between bis(trifluoromethanesulfonylamine and bis(dimethylaminomethane. In the crystal, the ions are linked by N—H...O=S hydrogen bonds, and these units are linked by C—H...O hydrogen bonds, forming sheets parallel to the bc plane. The crystal was refined as a non-merohedral twin with a BASF factor of 0.316 (1.

  20. Electronically asymmetric bis(porphyrin) sandwich complexes

    Energy Technology Data Exchange (ETDEWEB)

    Girolami, G.S.; Gorlin, P.A.; Suslick, K.S. [Univ. of Illinois, Urbana, IL (United States)

    1994-02-16

    Bis(porphyrin)metal(IV) complexes (M(porph){sub 2}) have been extensively studies in recent years due to their structural, chemical, and spectroscopic similarity to the {open_quotes}special pair{close_quotes} found in the reaction center of photosynthetic bacteria. Strong interactions arise in the bis(porphyrin) complexes due to the short inter-porphyrin separation (< 3 {angstrom}), which results in properties not seen in mono(porphyrin) analogs. For example, the bis(porphyrin) complexes are considerably easier to oxidize than analogous mono(porphyrin) species, and the M(porph){sub 2{sup n+}} cations (n = 1,2) exhibit near-IR absorptions not found in simple mono(porphyrin)cations. As part of the authors continuing effort to understand the factors that govern the electronic structures of bis(porphyrin) supermolecules, the authors now describe the synthesis of a series of zirconium sandwich complexes. Introduction of electron-withdrawing or -donating groups on the {beta}-pyrrole position considerably affects the electronic properties of these molecules without altering their steric parameters. Thus, peripheral substitution allows modification of the inter-porphyrin {pi} interactions while keeping the inter-porphyrin separation constant. Previous studies have changed the identity of the central metal, but the electronic structure and the interplanar distance could not be varied independently.

  1. 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.

  2. New Dihydro OO'Bis(Salicylidene 2,2' Aminobenzothiazolyl Borate Complexes: Kinetic and Voltammetric Studies of Dimethyltin Copper Complex with Guanine, Adenine, and Calf Thymus DNA

    Directory of Open Access Journals (Sweden)

    2006-01-01

    Full Text Available The newly synthesized ligand, dihydro OO'bis(salicylidene 2,2' aminobenzothiazolyl borate (2, was derived from the reaction of Schiff base of 2-aminobenzothiazole and salicylaldehyde with KBH 4 . Cu II (3 and Zn II (4 complexes of (2 were synthesized and further metallated with dimethyltindichloride to yield heterobimetallic complexes (5 and (6. All complexes have been thoroughly characterized by elemental analysis, and IR, NMR, EPR, and UV-Vis spectroscopy and conductance measurements. The spectroscopic data support square planar environment around the Cu II atom, while the Sn IV atom acquires pentacoordinate geometry. The interaction of complex (5 with guanine, adenine, and calf thymus DNA was studied by spectrophotometric, electrochemical, and kinetic methods. The absorption spectra of complex (5 exhibit a remarkable "hyperchromic effect" in the presence of guanine and calf thymus DNA. Indicative of strong binding of the complex to calf thymus DNA preferentially binds through N 7 position of guanine base, while the adenine shows binding to a lesser extent. The kinetic data were obtained from the rate constants, k obs , values under pseudo-first-order conditions. Cyclic voltammetry was employed to study the interaction of complex (5 with guanine, adenine, and calf thymus DNA. The CV of complex (5 in the absence and in the presence of guanine and calf thymus DNA altered drastically, with a positive shift in formal peak potential E pa and E pc values and a significant increase in peak current. The positive shift in formal potentials with increase in peak current favours strong interaction of complex (5 with calf thymus DNA. The net shift in E 1/2 has been used to estimate the ratio of equilibrium constants for the binding of Cu(II and Cu(I complexes to calf thymus DNA.

  3. New Dihydro OO'Bis(Salicylidene) 2,2' Aminobenzothiazolyl Borate Complexes: Kinetic and Voltammetric Studies of Dimethyltin Copper Complex with Guanine, Adenine, and Calf Thymus DNA.

    Science.gov (United States)

    Arjmand, Farukh; Mohani, Bhawana; Parveen, Shamima

    2006-01-01

    The newly synthesized ligand, dihydro OO'bis(salicylidene) 2,2' aminobenzothiazolyl borate (2), was derived from the reaction of Schiff base of 2-aminobenzothiazole and salicylaldehyde with KBH(4). Cu(II) (3) and Zn(II) (4) complexes of (2) were synthesized and further metallated with dimethyltindichloride to yield heterobimetallic complexes (5) and (6). All complexes have been thoroughly characterized by elemental analysis, and IR, NMR, EPR, and UV-Vis spectroscopy and conductance measurements. The spectroscopic data support square planar environment around the Cu(II) atom, while the Sn(IV) atom acquires pentacoordinate geometry. The interaction of complex (5) with guanine, adenine, and calf thymus DNA was studied by spectrophotometric, electrochemical, and kinetic methods. The absorption spectra of complex (5) exhibit a remarkable "hyperchromic effect" in the presence of guanine and calf thymus DNA. Indicative of strong binding of the complex to calf thymus DNA preferentially binds through N(7) position of guanine base, while the adenine shows binding to a lesser extent. The kinetic data were obtained from the rate constants, k(obs), values under pseudo-first-order conditions. Cyclic voltammetry was employed to study the interaction of complex (5) with guanine, adenine, and calf thymus DNA. The CV of complex (5) in the absence and in the presence of guanine and calf thymus DNA altered drastically, with a positive shift in formal peak potential E(pa) and E(pc) values and a significant increase in peak current. The positive shift in formal potentials with increase in peak current favours strong interaction of complex (5) with calf thymus DNA. The net shift in E(1/2) has been used to estimate the ratio of equilibrium constants for the binding of Cu(II) and Cu(I) complexes to calf thymus DNA.

  4. Synthesis and evaluation of new salicylaldehyde-2-picolinylhydrazone Schiff base compounds of Ru(II), Rh(III) and Ir(III) as in vitro antitumor, antibacterial and fluorescence imaging agents.

    Science.gov (United States)

    Palepu, Narasinga Rao; Nongbri, S L; Premkumar, J Richard; Verma, Akalesh Kumar; Bhattacharjee, Kaushik; Joshi, S R; Forbes, Scott; Mozharivskyj, Yurij; Thounaojam, Romita; Aguan, K; Kollipara, Mohan Rao

    2015-06-01

    Reaction of salicylaldehyde-2-picolinylhydrazone (HL) Schiff base ligand with precursor compounds [{(p-cymene)RuCl2}2] 1, [{(C6H6)RuCl2}2] 2, [{Cp*RhCl2}2] 3 and [{Cp*IrCl2}2] 4 yielded the corresponding neutral mononuclear compounds 5-8, respectively. The in vitro antitumor evaluation of the compounds 1-8 against Dalton's ascites lymphoma (DL) cells by fluorescence-based apoptosis study and by their half-maximal inhibitory concentration (IC50) values revealed the high antitumor activity of compounds 3, 4, 5 and 6. Compounds 1-8 render comparatively lower apoptotic effect than that of cisplatin on model non-tumor cells, i.e., peripheral blood mononuclear cells (PBMC). The antibacterial evaluation of compounds 5-8 by agar well-diffusion method revealed that compound 6 is significantly effective against all the eight bacterial species considered with zone of inhibition up to 35 mm. Fluorescence imaging study of compounds 5-8 with plasmid circular DNA (pcDNA) and HeLa RNA demonstrated their fluorescence imaging property upon binding with nucleic acids. The docking study with some key enzymes associated with the propagation of cancer such as ribonucleotide reductase, thymidylate synthase, thymidylate phosphorylase and topoisomerase II revealed strong interactions between proteins and compounds 5-8. Conformational analysis by density functional theory (DFT) study has corroborated our experimental observation of the N, N binding mode of ligand. Compounds 5-8 exhibited a HOMO (highest occupied molecular orbital)-LUMO (lowest unoccupied molecular orbital) energy gap 2.99-3.04 eV. Half-sandwich ruthenium, rhodium and iridium compounds were obtained by treatment of metal precursors with salicylaldehyde-2-picolinylhydrazone (HL) by in situ metal-mediated deprotonation of the ligand. Compounds under investigation have shown potential antitumor, antibacterial and fluorescence imaging properties. Arene ruthenium compounds exhibited higher activity compared to that of Cp

  5. 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.

  6. [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.

  7. Perioperative cerebral ischaemia in cardiac surgery and BIS.

    Science.gov (United States)

    Villacorta, J; Kerbaul, F; Collart, F; Guidon, C; Bonnet, M; Guillen, J C; Gouin, F

    2005-08-01

    A 46-year-old woman was monitored by bispectral index monitoring (BIS) during redo aortic and mitral valve replacement. On release of the aortic cross clamp there was a sudden, severe, unexplained, and sustained fall in the BIS value. Postoperatively, a CT scan was consistent with multiple ischaemic lesions. The lesions were presumed to be due to air embolism. This case suggests that a sudden unexplained and persistent fall in BIS may indicate cerebral ischaemia.

  8. Comparisons Between Tridentate Bis(benzazoles-pyridine and Bis(benzazolestriazine Ligands: a Theoretical Study

    Directory of Open Access Journals (Sweden)

    Mihaiela Andoni

    2015-12-01

    Full Text Available Twelve bis(benzazole structures with potential ligand character were investigated by means of computational chemistry. Global and local reactivity descriptors within DFT (Density Functional Theory theory (Fukui functions, chemical potential, hardness, electrophilicity index have been computed at B3LYP/6-31G(d,p level of theory. NICS(0 (Nucleus Independent Chemical Shift index computations were employed for the evaluation of the local aromatic character of each heterocyclic moiety. Best results have been reported for the bis(benzimidazole derivatives. Copper and zinc complexes of the investigated tridentate ligands have been proposed.

  9. 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

  10. Synthesis and Thermal Rearrangement of Tetramethyldisilane-bridged Bis(cyclopentadienyl) Diiron Complexes with Bis(phosphine)Substitution

    Institute of Scientific and Technical Information of China (English)

    孙秀丽; 王佰全; 等

    2003-01-01

    Photolysis of [Me2SiSiMe2)[C5H4Fe(CO2)]2with a series of bis(phosphine)ligands Ph2P(CH2)n PPh2(n=1-4) leads to the formation of the corresponding diiron complexes with intramolecular and intermolecular bis(phosphine) substitution.When these complexes were heated in refluxing xylene.only in the complexes with intermolecular bis(phosphine )substitution the thermal rearrangement reaction occurred.

  11. 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...

  12. 21 CFR 73.3100 - 1,4-Bis[(2-hydroxyethyl)amino]-9,10-anthracenedione bis(2-propenoic)ester copolymers.

    Science.gov (United States)

    2010-04-01

    ...)ester copolymers. 73.3100 Section 73.3100 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF... § 73.3100 1,4-Bis -9,10-anthracenedione bis(2-propenoic)ester copolymers. (a) Identity. The color additives are 1,4-bis -9,10-anthracenedione bis(2-propenoic)ester (CAS Reg. No. 109561-07-1)...

  13. 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.

  14. Bis[N,N-bis(2-hydroxyethyldithiocarbamato-κ2S,S′]copper(II

    Directory of Open Access Journals (Sweden)

    Jun Fan

    2009-12-01

    Full Text Available In the title compound, [Cu(C5H10NO2S22], the CuII cation is chelated by two bis(2-hydroxyethyldithiocarbamate anions with a distorted square-planar coordination geometry. Intermolecular O—H...O hydrogen bonding is observed between the terminal hydroxy groups in the crystal structure.

  15. 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.

  16. 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 dipeptide...

  17. 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.

  18. 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.

  19. 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.

  20. 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].

  1. Bis[N,N-bis(diphenylphosphanylpentylamine-κ2P,P′]platinum(II bis(hexafluoridophosphate dichloromethane disolvate

    Directory of Open Access Journals (Sweden)

    Ilana Engelbrecht

    2010-08-01

    Full Text Available The PtII atom in the title compound, [Pt(C29H31NP22](PF62·2CH2Cl2, is coordinated by four P atoms from two bis(diphenylphosphanylpentylamine ligands with an average Pt—P distance of 2.300 (1 Å. The coordination around the PtII atom shows a highly distorted square-planar geometry, as evidenced by the P—Pt—P bite angles of 70.45 (3 and 70.64 (3°. The asymmetric unit contains two hexafluoridophosphate ions, the metal complex and two dichloromethane solvent molecules. One of the chloride atoms of one of the dichloromethane molecules is disordered over two sites in a 0.515 (3:0.485 (3 ratio. C—H...F hydrogen bonds stabilize the crystal packing.

  2. 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.

  3. Bis[N,N'-bis(diphenylmethylene)ethylenediamine-2N,N']copper(I) dichlorocuprate(I)

    NARCIS (Netherlands)

    Mirkhani, Valiollah; Harkema, Sybolt; Kia, Reza

    2004-01-01

    The 1:1 adduct of N,N'-bis(diphenylmethylene)ethylenediamine (bz2en) with copper(I) chloride, viz. [Cu(C28H24N2)2][CuCl2], has been synthesized. The structure contains cationic moieties of CuI ions (Cu on a twofold axis) coordinated to four N atoms of two bz2en molecules (in a distorted tetrahedron)

  4. Bis[1,3-bis(diphenylphosphanylpropane]copper(I tetrachloridogallate(III

    Directory of Open Access Journals (Sweden)

    Nian-Nian Wang

    2012-07-01

    Full Text Available In the title compound, [Cu(C27H26P22][GaCl4], the CuI atom in the complex cation is P,P′-chelated by two 1,3-bis(diphenylphosphanylpropane ligands in a distorted tetrahedral geometry, while the GaIII cation is coordinated by four chloride anions in a distorted tetrahedral geometry. In the crystal, weak C—H...π interactions occur between adjacent complex cations.

  5. 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

  6. 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).

  7. Synthesis and Bioactivities of A Series of Bis-azoles

    Institute of Scientific and Technical Information of China (English)

    ZHOU Cheng-He; LIU Qiang; CHEN Jie; HU Xiang-Nan; CAI Meng-Shen; XIE Ru-Gang; Alfred Hassner

    2003-01-01

    @@ Imidazoles as pharmaceutical agents are widely used and investigated. A series of bis-azoles were prepared fromimidazole and its analogues and dibromides obtained according to similar procedures of literatures. [1 ~ 4

  8. 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...

  9. A review on bis-hydrazonoyl halides: Recent advances in their synthesis and their diverse synthetic applications leading to bis-heterocycles of biological interest

    Directory of Open Access Journals (Sweden)

    Ahmad Sami Shawali

    2016-11-01

    Full Text Available This review covers a summary of the literature data published on the chemistry of bis-hydrazonoyl halides over the last four decades. The biological activities of some of the bis-heterocyclic compounds obtained from these bis-hydrazonoyl halides are also reviewed and discussed.

  10. Formation and Characterization of Mixed Crystals Based on Bis (Thiourea)Cadmium Chloride and Bis (Thiourea)Cadmium Iodide

    OpenAIRE

    2014-01-01

    Bis(thiourea)cadmium chloride(BTCC) and bis(thiourea)cadmium iodide (BTCI) are metal complexes of thiourea having better nonlinear optical properties than KH2PO4. An attempt has been made in the present study to form mixed crystals based on BTCC and BTCI (even though their crystal lattices mismatch) from aqueous solutions, the precursors mixed in proper proportions. A total of seven (including the end members) crystals were formed by the free evaporation method and characteriz...

  11. Synthesis and crystal structure of dinuclear ethylenediamine salicylaldehyde schiff base copper(Ⅱ)complex%双核乙二胺水杨醛Schiff碱Cu(Ⅱ)配合物的合成及晶体结构

    Institute of Scientific and Technical Information of China (English)

    江光奇

    2012-01-01

    A wild goose-like copper (II) complex has been prepared by coordination reaction of ethylenediamine salicylaldehyde Schiff base ligand and cupric nitrate trihydrate. The structure also has been confirmed by the methods of elemental analysis,IR spectra and single crystal X ray diffraction analysis. The structural analysis reveals that the complex belongs to monoclinic system, the space group is P21/c,with the crystal cell parameters o = 0. 8559(14-) ,6 = 2. 3276(4) ,c= 1. 1057( 18)nm,0 = 91. 360(4)° ,V= 2. 2021 ( 6 ) nm3 , Z=2, Dc = 1. 706g/cm3, Mr = 1130. 82, /?, = 0.0543, wR2 = 0.1522. It is worth noting that there are two crystallo-graphic distinct copper(II) ions in the structure,one copper( II) ion adopted square planar geometry,in contrast,the other is in an octahedral coordination environment.%采用乙二胺水杨醛Schiff碱配体与水合硝酸铜配位生成了一雁形的双核Cu(Ⅱ)配合物,产物通过了元素分析、红外光谱及单晶X射线衍射分析等手段的证实.结果表明,该配合物晶体属于单斜晶系,P21/c空间群,晶胞参数为:a=0.8559(14),b=2.3276(4),c=1.1057(18)nm,β=91.360(4)°,V=2.2021(6)nm3,Z=2,D.=1.706g/cm3,M,=1130.82,R1=0.0543,wR2 =0.1522;结构分析表明,配合物中存在两种截然不同的Cu(Ⅱ)配位模式,Cu(1)离子采取四方平面构型,Cu(2)离子却为扭曲八面体几何构型.

  12. 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.

  13. 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.

  14. Bis-chalcones and flavones: synthesis and antimicrobial activity.

    Science.gov (United States)

    Husain, Asif; Rashid, Mohd; Mishra, Ravinesh; Kumar, Deepak

    2013-01-01

    A series of bis-chalcones (3a-g) and their flavones derivatives (4a-g) were synthesized and evaluated for their antimicrobial activity. Bis-chalcones were prepared by condensing 1,1'-(4,6-dihydroxy-1,3-phenylene)diethanone (2) with appropriate aryl aldehydes following Claisen-Schmidt reaction conditions. Oxidative cyclization of bis-chalcones (3a-g) in DMSO in the presence of iodine furnished flavones (4a-g). The synthesized compounds were evaluated for their antibacterial and antifungal actions against some selected microbes. The results of antimicrobial evaluation showed that some of the synthesized compounds were good in their antibacterial and antifungal actions.

  15. 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.

  16. 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.

  17. 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.

  18. Interaction of novel bis(platinum) complexes with DNA.

    OpenAIRE

    Roberts, J D; Van Houten, B; Qu, Y; Farrell, N P

    1989-01-01

    Bis(platinum) complexes [[cis-PtCl2(NH3)]2H2N(CH2)nNH2] are a novel series of potential anticancer agents in which two cis-diamine(platinum) groups are linked by an alkyldiamine of variable length. These complexes are potentially tetrafunctional, a unique feature in comparison with known anticancer agents. Studies of DNA interactions of bis(platinum) complexes in comparison with cisplatin demonstrate significant differences. Investigations of interstrand crosslink formation in which crosslink...

  19. 78 FR 8586 - PEPSICO, Inc., Business & Information Solutions (BIS) Division Including On-Site Leased Workers...

    Science.gov (United States)

    2013-02-06

    ... Including On-Site Leased Workers From Procurestaff, Cognizant, Infosys, Wipro, and TCS; Plano, TX; PEPSICO... workers of PepsiCo, Inc., Business & Information Solutions (BIS) Division, Plano, Texas (PepsiCo-BIS-Plano... reviewed the certification for workers and former workers of PepsiCo-BIS-Plano. The Department has...

  20. 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...

  1. Synthesis of Some New Mono- and Bis-Polycyclic Aromatic Spiro and Bis-Nonspiro-β-Lactams

    Directory of Open Access Journals (Sweden)

    Edris Ebrahimi

    2010-01-01

    Full Text Available Some new mono-and bis-polycyclic aromatic spiro-β-lactams and bis-non spiro-polycyclic aromatic β-lactams have been synthesized from imines derived from anthracene-9-carbaldehyde, 2-naphtaldehyde and a ketene derived from 9H-xanthene-9-carboxylic acid and phenoxyacetic acid by a [2+2] cycloaddition reaction. The cycloadducts were characterized by spectral data, including 1H-NMR, 13C-NMR, IR and elemental analyses. The configurations of some of these mono-spiro-β-lactams were established by X-ray crystal analysis.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  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. 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...

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

    Directory of Open Access Journals (Sweden)

    Roger Cabrera Paredes

    2011-06-01

    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.

  9. Towards organometallic conducting polymers containing bis-cyclometallating bridging ligands

    NARCIS (Netherlands)

    Koten, G. van; Sutter, J-P; Beley, M.; Collin, J.P.; Veldman, N.; Spek, A.L.; Sauvage, J.P.

    1994-01-01

    One dimensional polymeric structures (rods and wires) incorporating capping ends with either electron or accepting properties will be prepared and their electric and photophysical properties studied. The capping ends are based on metal centres held in bis-cyclometallating ligands with tuneable elec

  10. Glucose selective bis-boronic acid click-fluor.

    Science.gov (United States)

    Zhai, Wenlei; Male, Louise; Fossey, John S

    2017-02-14

    Four novel bis-boronic acid compounds were synthesised via copper catalysed azide-alkyne cycloaddition (CuAAC) reactions. Glucose selectivity was observed for a particular structural motif. Moreover, a new glucose selective fluorescent sensor was designed and synthesised as a result.

  11. Syntheses, structures, magnetic properties, and density functional theory magneto-structural correlations of bis(μ-phenoxo) and bis(μ-phenoxo)-μ-acetate/bis(μ-phenoxo)-bis(μ-acetate) dinuclear Fe(III)Ni(II) compounds.

    Science.gov (United States)

    Hazra, Susanta; Bhattacharya, Sagarika; Singh, Mukesh Kumar; Carrella, Luca; Rentschler, Eva; Weyhermueller, Thomas; Rajaraman, Gopalan; Mohanta, Sasankasekhar

    2013-11-18

    The bis(μ-phenoxo) Fe(III)Ni(II) compound [Fe(III)(N3)2LNi(II)(H2O)(CH3CN)](ClO4) (1) and the bis(μ-phenoxo)-μ-acetate/bis(μ-phenoxo)-bis(μ-acetate) Fe(III)Ni(II) compound {[Fe(III)(OAc)LNi(II)(H2O)(μ-OAc)](0.6)·[Fe(III)LNi(II)(μ-OAc)2](0.4)}(ClO4)·1.1H2O (2) have been synthesized from the Robson type tetraiminodiphenol macrocyclic ligand H2L, which is the [2 + 2] condensation product of 4-methyl-2,6-diformylphenol and 2,2'-dimethyl-1,3-diaminopropane. Single-crystal X-ray structures of both compounds have been determined. The cationic part of the dinuclear compound 2 is a cocrystal of the two species [Fe(III)(OAc)LNi(II)(H2O)(μ-OAc)](+) (2A) and [Fe(III)LNi(II)(μ-OAc)2](+) (2B) with weights of 60% of the former and 40% of the latter. While 2A is a triply bridged bis(μ-phenoxo)-μ-acetate system, 2B is a quadruply bridged bis(μ-phenoxo)-bis(μ-acetate) system. Variable-temperature (2-300 K) magnetic studies reveal antiferromagnetic interaction in 1 and ferromagnetic interaction in 2 with J values of -3.14 and 7.36 cm(-1), respectively (H = -2JS1·S2). Broken-symmetry density functional calculations of exchange interaction have been performed on complexes 1 and 2 and also on previously published related compounds, providing good numerical estimates of J values in comparison to experiments. The electronic origin of the difference in magnetic behavior of 1 and 2 has been well understood from MO analyses and computed overlap integrals of BS empty orbitals. The role of acetate and thus its complementarity/countercomplementarity effect on the magnetic properties of diphenoxo-bridged Fe(III)Ni(II) compounds have been determined on computing J values of model compounds by replacing bridging acetate and nonbridging acetate ligand(s) by water ligands in the model compounds derived from 2A,B. The DFT calculations have also been extended to develop several magneto-structural correlations in these types of complexes, and the correlations focus on the role of Fe

  12. 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.

  13. Half-Year Retest-Reliability of the Barratt Impulsiveness Scale–Short Form (BIS-15

    Directory of Open Access Journals (Sweden)

    Adrian Meule

    2015-03-01

    Full Text Available One of the most widely used instruments for the measurement of impulsivity is the Barratt Impulsiveness Scale (BIS-11. The short form of the BIS-11, the BIS-15, consists of 15 items representing the three subscales Attentional, Motor, and Non-Planning Impulsivity. In the current study, retest-reliabilities of BIS-15 scores were examined. Female university students completed the BIS-15 at the beginning of the first (n = 133 and second (n = 120 semesters. Half-year retest-reliability was rtt = .79 for the BIS-15 total score and ranged between rtt = .61 and .78 for the subscales. Considering the long time span of almost half a year between measurements, the total score of the BIS-15 has high retest-reliability and, thus, measures impulsivity as a stable personality trait.

  14. 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.

  15. [μ2-Bis(diphenylphosphanylmethane][μ3-bis(diphenylphosphanylmethyl]trichloridotetragold(I tetrahydrofuran disolvate

    Directory of Open Access Journals (Sweden)

    Huan-Huan Wang

    2011-02-01

    Full Text Available The title tetranuclear complex, [Au4(C25H21P2Cl3(C25H22P2]·2C4H8O, features two non-equivalent Ph2PCPPh2 fragments, one of which represents the `complete' molecule (with two H atoms at the central C atom; each of the two P atoms of this molecule is coordinated by an Au atom [Au—P = 2.2256 (13 and 2.2710 (13 Å], and these two Au atoms form an Au—Au bond [3.2945 (3 Å], thus closing the five-membered Au2P2C ring. The first of these Au atoms has a terminal chlorido ligand [Au—Cl = 2.2806 (12 Å], whereas the second Au atom forms a covalent bond with the central C atom of the bis(diphenylphosphinomethyl group [Au—C = 2.114 (5 Å]; the latter group in turn coordinates with its P atoms the gold atoms of the Cl–Au–Au–Cl group [Au—P = 2.2356 (13 and 2.2338 (13, Au—Au = 3.3177 (3, Au—Cl = 2.3091 (12 and 2.2950 (13 Å], thus closing the second Au2P2C ring. The two such rings have different chemical functions, but both exhibit envelope conformations. However, the first (with different substituents at the Au atoms is non-symmetrical with one of the P atoms in the flap position of the envelope; the other one has a conformation with mirror symmetry, and the gold-substituted C atom is displaced by 0.740 (5 Å from the almost exactly planar (r.m.s. deviation = 0.0038 Å Au2P2 group.

  16. 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

  17. 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.

  18. 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).

  19. 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...... contains Bi atoms in distorted square-based pyramidal coordination to five surrounding sulfur atoms. The results will be displayed together with a comparison to other metal dichalcogenide compounds. Experimental details and physical properties will also be presented together with theoretical calculations......High pressure synthesis is an important method in the search for new compounds that in many cases can be quenched to ambient conditions. Therefore high pressure syntheses push the boundaries of solid state chemistry. There is a large current interest in the metal dichalcogenides with their unique...

  20. A bis-bithiophene from Tridax procumbens L. (Asteraceae).

    Science.gov (United States)

    Ali, Muhammad Shaiq; Jahangir, Muhammad

    2002-08-01

    The ethyl acetate soluble part of hexane extract of Tridax procumbens yielded a new bis-bithiophene named tridbisbithiophene along with four known terpenoids: taraxasteryl acetate, beta-amyrenone, lupeol and oleanolic acid, which have never been reported so far from Tridax procumbens. The structures of all the isolated constituents were elucidated with the aid of 1D-NMR spectroscopy whereas, the structure of new constituent tridbisbithiophene was confirmed via COSY and HMBC interactions.

  1. 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.

  2. 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.

  3. [N,N-Bis(diphenyl-phosphino)isopropyl-amine]dibromidonickel(II).

    Science.gov (United States)

    Hapke, Marko; Wöhl, Anina; Peitz, Stephan; Müller, Bernd H; Spannenberg, Anke; Rosenthal, Uwe

    2009-02-06

    The title compound, [NiBr(2)(C(27)H(27)NP(2))], was synthesized by the reaction of NiBr(2)(dme) (dme is 1,2-dimethoxy-ethane) with N,N-bis-(diphenyl-phosphino)isopropyl-amine in methanol/tetra-hydro-furan. The nickel(II) center is coordinated by two P atoms of the chelating PNP ligand, Ph(2)PN(iPr)PPh(2), and two bromide ions in a distorted square-planar geometry.

  4. 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.

  5. Bis{4-[(3-phenylallylideneamino]cyclohexyl}methane trichloromethane solvate

    Directory of Open Access Journals (Sweden)

    Wolfgang Imhof

    2008-12-01

    Full Text Available The title compound, C31H38N2, was prepared from bis(4-aminocyclohexylmethane and two equivalents of cinnamaldehyde. The cyclohexyl groups each show a chair conformation and the α,β-unsaturated imine side chains are all-trans configured. Two molecules of the title compound as well as two trichloromethane solvent molecules are present in the asymmetric unit. The solvent molecules interact with the diimines via weak C—H...N hydrogen bonds.

  6. 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.

  7. X-ray diffraction and vibrational spectroscopic study of trans-bis(acetylacetonato)-bis(4-methylpyridine)cobalt(III)

    Science.gov (United States)

    Tayyari, Sayyed Faramarz; Habibi, Mohammad Hossien; Shojaee, Elahe; Jamialahmadi, Mina; Sammelson, Robert Erik; Wada, Koki; Suzuki, Takayoshi

    2015-03-01

    Trans-bis(acetylacetonato)-bis(4-methylpyridine)cobalt(III)hexafluorophosphate, [AMPC]PF6, was synthesized and characterized by X-ray diffraction and vibrational spectroscopy. The title compound C22H28N2O4Co crystallizes with Z = 2 in space group P-1 (#2). The molecular structure and vibrational spectra of this compound were investigated by means of density functional theory (DFT) calculations and the results were compared with the experimental data. The measured IR bands were interpreted in terms of the calculated vibrational normal modes and compared with the tris(acetylacetonate)Co(III) (Co(acac)3) and 4-methylpyridine (4-Mepy) vibrational spectra. The scaled theoretical wavenumbers and the structural parameters were in excellent agreement with the experimental data.

  8. Investigation of Ternary Mixtures Containing 1-Ethyl-3-methylimidazolium Bis(trifluoromethanesulfonylazanide, Ethylene Carbonate and Lithium Bis(trifluoromethanesulfonylazanide

    Directory of Open Access Journals (Sweden)

    Andreas Hofmann

    2016-05-01

    Full Text Available Temperature-dependent viscosity, conductivity and density data of ternary mixtures containing 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonylazanide (EMIM-TFSA, ethylene carbonate (EC, and lithium bis(trifluoromethanesulfonylazanide (Li-TFSA were determined at atmospheric pressure in the temperature range of 20 to 80 °C. Differential scanning calorimetry (DSC measurements were performed to characterize phase conditions of the mixtures in a temperature range of −120 to +100 °C. The viscosity data were fitted according to the Vogel-Fulcher-Tammann-Hesse (VFTH equation and analyzed with the help of the fractional Walden rule. In this study, fundamental physicochemical data about the mixtures are provided and discussed as a basis for structure-property relationship calculations and for potential use of those mixtures as electrolytes for various applications.

  9. Superconductivity in BiS2-based compounds

    Science.gov (United States)

    Yazici, Duygu

    2014-03-01

    Polycrystalline samples of Ln O0.5F0.5BiS2 (Ln = La, Ce, Pr, Nd, Yb) were synthesized by solid-state reaction. These compounds form in a tetragonal structure with space group P 4 / nmm conforming to the CeOBiS2 crystal structure. Electrical resistivity, magnetic susceptibility and specific heat measurements were performed on all of the samples. All of the compounds exhibit superconductivity in the range 1.9 K - 5.4 K, and the YbO0.5F0.5BiS2 sample was also found to exhibit magnetic order (probably antiferromagnetic order) at ~2.7 K that appears to coexist with superconductivity below 5.4 K. Electron-doping appears to induce superconductivity in the BiS2-based superconductors as partial substitution of F for O is necessary to observe superconductivity. This was further demonstrated in a study where trivalent La+3 was partially substituted with tetravalent Th+4, Hf+4, Zr+4, and Ti+4, all of which induced superconductivity. We also observed that substitution of divalent Sr+2 for La+3 (hole doping) does not induce superconductivity. Electrical resistivity measurements were also performed under applied pressure on Ln O0.5F0.5BiS2 (Ln = La, Ce, Pr, Nd) up to ~3 GPa and down to 1 K. These studies revealed a universal behavior where the systems are tuned away from semi-conducting behavior towards metallic behavior. The superconducting states were stabilized by applied pressure, so that Tc increased in all of the rare earth members listed. At a critical pressure Pc, Tc increases rapidly from a low Tc phase to a distinct high Tc phase, after which additional pressure no longer suppressed the semiconducting behavior in the normal state [3,4]. In addition, the metallization of NdO0.5F0.5BiS2 also occurs at Pc. Research was supported by the US AFOSR MURI FA9550-09-1-0603, US DOE DE-FG02-04-ER46105 and NNSA DE-NA0001841.

  10. 40 CFR 721.982 - Calcium, bis(2,4-pentanedionato-O,O′).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Calcium, bis(2,4-pentanedionato-O,Oâ²... Substances § 721.982 Calcium, bis(2,4-pentanedionato-O,O′). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance calcium, bis(2,4-pentanedionato-O,O′) (PMN P-93-214,...

  11. Synthesis of salicylaldehyde-adenine schiff base and its application for the spectrophotometric determination of copper(Ⅱ)%水杨醛缩腺嘌呤席夫碱的合成及其光度法测定铜(Ⅱ)的研究

    Institute of Scientific and Technical Information of China (English)

    洪涛; 龙巍然; 陶晋飞; 刘鹏; 曹秋娥

    2012-01-01

    以水杨醛和腺嘌呤为原料,合成了一个新的席夫碱(水杨醛缩腺嘌呤席夫碱,SASB),并对其结构进行了鉴定.以该席夫碱为显色剂,在优化了反应条件后,建立了一个测定痕量Cu2+的新光度分析方法.方法在400 nm处的表现摩尔吸光系数为7.68×104 L-mol-1·cm-1,线性范围为0.05~0.60μg/mL.常见离子都不干扰测定,加入2 mL 10.0 g/L NH4F溶液作为掩蔽剂时,Al3+和Fe3+的允许量可分别提高到75倍和25倍.将方法用于铝合金中铜的测定,结果同原子吸收光谱法的测定值一致,相对标准偏差在2.5%以内.%A new schiff base (salicylaldehyde-adenine schiff base. SASB) has been synthesized by the condensation reaction between salicylaldehyde and adenine. And its structure has been identified. With schiff base as color reagents, a new spectrophotometric method for the determination of trace Cu2+ has been established after the conditions of the reaction between SASB and Cu2+ was optimized. The linear range and apparent molar absorptivity at 400nm was 0. 05-0. 60 μg/mL and 7. 68 ×104 L · mol-1 · cm-1, respectively. The method, which was free from the interference of much common ions, could be used for the determination of copper in the presence of 75 times of Al3+ and 25 times of Fe3+ after 2 mL of 10. 0 g/L NH4F was added as screening agent. The results for the determination of trace copper in aluminium alloys obtained by this method with the standard deviation of less than 2. 5% was in agreement with that obtained by AAS.

  12. 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.

  13. 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.

  14. 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.

  15. Bis[2,6-bis(trimethylsilylaminopyridine-κN1]{[6-bis(trimethylsilylaminopyridin-2-yl-κN1](trimethylsilylazanido-κN}lithium

    Directory of Open Access Journals (Sweden)

    Justin A. Rave

    2016-03-01

    Full Text Available The title complex, [Li(C11H22N3Si2(C11H23N3Si22], contains a single lithium cation coordinated to three ligands. This is the first reported example of the ligand 2,6-bis(trimethylsilylaminopyridine supporting a monometallic complex. One ligand is mono-anionic and forms a four-membered chelate ring with the lithium cation via the pyridine and silylamido N atoms. The other two ligands are neutral and bind via the pyridine nitrogen. The lithium cation is coordinated in a tetrahedral environment. No intra- or intermolecular hydrogen bonding is observed in the crystal structure, likely indicating that weak electrostatic interactions are the dominant feature of the crystal packing.

  16. μ-1,2-Bis(diphenylphosphinoethane-κ2P:P′-bis{[1,2-bis(diphenylphosphinoethane-κ2P,P′]bromidocopper(I} acetone disolvate

    Directory of Open Access Journals (Sweden)

    Wen-Juan Shi

    2008-10-01

    Full Text Available In the crystal structure of the title compound, [Cu2Br2(dppe3]·2CH3COCH3 [dppe is 1,2-bis(diphenylphosphinoethane, C26H24P2], the two Cu centers are bridged by a dppe ligand and each metal center carries one chelating dppe unit, with the fourth coordination site available for the Br− anion. The molecule is centrosymmetric, with the center of symmetry located between the methylene C atoms of the bridging dppe ligand. The crystal structure is stabilized by intramolecular C—H...Br hydrogen bonds and intermolecular π–π interactions, with a centroid-to-centroid distance of 3.2055 (1 Å.

  17. [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.

  18. Synthesis and Antitumor Evaluation of Novel Bis-Triaziquone Derivatives

    Directory of Open Access Journals (Sweden)

    Yuh-Ling Lin

    2009-06-01

    Full Text Available Aziridine-containing compounds have been of interest as anticancer agents since late 1970s. The design, synthesis and study of triaziquone (TZQ analogues with the aim of obtaining compounds with enhanced efficacy and reduced toxicity are an ongoing research effort in our group. A series of bis-type TZQ derivatives has been prepared and their cytotoxic activities were investigated. The cytotoxicity of these bis-type TZQ derivatives were tested on three cancer lines, including breast cancer (BC-M1, oral cancer (OEC-M1, larynx epidermal cancer (Hep2 and one normal skin fibroblast (SF. Most of these synthetic derivatives displayed significant cytotoxic activities against human carcinoma cell lines, but weak activities against SF. Among tested analogues the bis-type TZQ derivative 1a showed lethal effects on larynx epidermal carcinoma cells (Hep2, with an LC50 value of 2.02 mM, and also weak cytotoxic activity against SF cells with an LC50 value over 10 mM for 24 hr treatment. Comparing the viability of normal fibroblast cells treated with compound 1a and TZQ, the LC50 value of the latter was 2.52 mM, indicating more toxicity than compound 1a. This significantly decreased cytotoxicity of compound 1a towards normal SF cells, while still maintaining the anticancer activity towards Hep2 cells is an interesting feature. Among the seven compounds synthesized, compound 1c has similar toxicity effects on the three cancer cell lines and SF normal cells as the TZQ monomer.

  19. 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.

  20. X-ray Structure of Bis(salicylidene)-p-diaminobenzene

    Institute of Scientific and Technical Information of China (English)

    ZHANG Shu-sheng; YE Su-juan; ZHANG Tong; LI Xue-mei

    2004-01-01

    The crystal and molecular structures of Schiff base bis (salicylidene)-p-diaminobenzene were determined by X-ray crystallography. It crystallized in a monoclinic system with space group P2 (1)/c, lattice parameters a=1.4649(3) nm, b=0.45770(9) nm, c=1.2241(2) nm, α=γ=90.00°, β=112.07 (3)°, V=0. 7606(3) nm3, and Z=4. The crystal structure of the title compound is composed of discrete monomeric molecule of (C6HD (NCC6H4OH)2 which is planar. The intermolecular hydrogen bonds make the compound steady.

  1. Bridging of Calixarenes with N,N'-Bis(Chloroacetyl)Propylenediamine

    Institute of Scientific and Technical Information of China (English)

    LI Jun; WANG Wei; GONG shu-ling; CHEN Yuan-yin

    2004-01-01

    A new bridging reagent, N,N′-bis(chloroacetyl)propylenediamine was used to explore the relative activity and bridging pattern of p-tert-butylcalix[4]arene, p-tert-butylcalix[6]arene and butylcalix[8]arene. It was found that the bridging reaction is selectively, at least, preferably at 1,3-position for p-tert-butylcalix[4]arene and p-tert-butylcalix[6]arene, 1,5-position for p-tert-butylcalix[8]arene. Taking the yield of bridged calixarene as a comparsion standard, the activity decreases with the increasing of the number of phenolic units in calixarene.

  2. 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.

  3. Facile Synthesis of 1,6-Bis(2-furyl-2,5-bis(2-hydroxy-3-formyl-5-methylbenzyl-2,5-diazahexane: a New Dinucleating Ligand

    Directory of Open Access Journals (Sweden)

    Chang-Rang Liu

    2001-11-01

    Full Text Available A convenient three-step preparation of the dinucleating ligand, 1,6-bis(2-furyl-2,5-bis(2-hydroxy-3-formyl-5-methylbenzyl-2,5-diazahexane (3 starting from 2,6-bis(hydroxymethyl-4-methylphenol (4 is reported. Compound 4 was partially oxidized with preactivated manganese dioxide to form compound 5, which was converted to 2-hydroxy-3-chloromethyl-5-ethylbenzaldehyde (6 with conc.HCl/EtOH. Compound 6 in turn reacted with N,N’-bis (2-furyl-1,2-diaminoethane (7 in the presence of K2CO3 in ethanol to give the title compound 3. No protecting groups were required in the whole process and the conditions were mild.

  4. Implementation of the BayBIS process information system in a power station at minimal cost; Die kostenminimale Realisierung des Prozessinformationssystems BayBIS fuer einen Kraftwerksbetreiber

    Energy Technology Data Exchange (ETDEWEB)

    Woyke, W.

    2000-07-01

    BKW are currently introducing the process information system BayBIS (Bayernwerk Betriebsinformationssystem) in three of their power stations. It was developed for a BKW medium-capacity power station where it was installed one year ago. The measuring and data acquisition systems of the power stations can be utilized for BayBIS. It is based on well-establilshed methods and makes use of the available IT systems. It is applied for process monitoring, process analysis, billing, controlling and reporting. [German] Die BKW fuehrt derzeit fuer drei Kraftwerke das Prozessinformationssystem BayBIS (Bayernwerk Betriebsinformationssystem) ein. Es wurde fuer ein Mittellastkraftwerk der BKW entwickelt und ist dort bereits seit einem Jahr im Einsatz. Messtechnik und prozessnahe Datenerfassung der Leittechnik in den Kraftwerken koennen fuer BayBIS genutzt werden. Es baut auf Methoden auf, die sich in der Praxis bewaehrt haben, und nutzt die vorhandene IT-Ausstattung des Unternehmens. Anwendung findet es fuer Prozessbeobachtung, Prozessanalyse, Abrechnung, Controlling und Berichtswesen. (orig.)

  5. Oxovanadium(IV complexes of bioinorganic and medicinal relevance: Synthesis, characterization and 3D molecular modeling of some oxovanadium(IV complexes involving O, N-donor environment of salicylaldehyde-based sulfa drug Schiff bases

    Directory of Open Access Journals (Sweden)

    R.C. Maurya

    2016-11-01

    Full Text Available The present paper reports the synthesis and characterization of some new sulfa drug based Schiff base oxovanadium(IV complexes of composition, [VO(sal-sdz2(H2O]·H2O, [VO(sal-sgn2(H2O]·H2O, [VO(sal-snm(H2O]·H2O, [VO(sal-smr2(H2O]·H2O and [VO(dadps(H2O]2·2H2O, where sal-sdzH = N-(salicylidenesulfadizine, sal-sgnH = N-(salicylidenesulfaguanidine, sal-snmH = N-(salicylidenesulfanilamide, sal-smrH = N-(salicylidenesulfamerizine, sal-dadpsH2 = N,N′-bis(salicylidene-4,4′-diaminodiphenylsulfone, respectively. Complexes, (1–(4 were prepared by the reaction of VOSO4·5H2O with the Schiff bases in 1:2 metal-ligand ratio while complex (5 in 2:2 metal-ligand ratio in DMF-ethanol medium. The compounds so obtained were characterized by different physico-chemical studies, such as, elemental analysis, molar conductance and magnetic measurements, infrared, ESR, thermogravimetric studies, mass and electronic spectral studies. The overall IR studies conclude that the ligand in complex (1–(4 behave as monobasic bidentate ON donor, while the ligand in the complex (5 behaves as dibasic tetradentate O2N2 donor. The 3D-molecular modeling and analysis for bond lengths and bond angles have also been carried out for two representative compounds, [VO(sal-snm2(H2O]·H2O (3 and [VO(dadps(H2O]2·2H2O (5 to substantiate the proposed structures. Based on these studies suitable octahedral structures have been proposed for these complexes.

  6. 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"

  7. Synthesis, antimicrobial and anticancer activities of amido sulfonamido methane linked bis heterocycles

    Directory of Open Access Journals (Sweden)

    Chokkappagari Premakumari

    2014-09-01

    Full Text Available A new class of amido sulfonamido methane linked bis heterocycles- bis-oxazoles, thiazoles and imidazoles were prepared and screened for antimicrobial and anticancer activities. The chloro substituted amido sulfonamido bisimidazole exhibited excellent antimicrobial activity and also it was the most potent compound on lung, colon and prostate cancer cell lines.

  8. 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

  9. A Meldrum's Acid Catalyzed Synthesis of Bis (indolyl) methanes in Water under Ultrasonic Condition

    Institute of Scientific and Technical Information of China (English)

    WANG,Shun-Yi; JI,Shun-Jun; SU,Xiao-Ming

    2008-01-01

    A highly effective Meldrum's acid catalyzed synthesis of bis(indol-3-yl)methanes has been developed. This reaction provides the corresponding bis(indol-3-yl)methanes in high yields after short reaction time in the presence of 2 mol% catalyst in water under ultrasonic condition.

  10. 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...

  11. Bis-pyrene-modified unlocked nucleic acids: synthesis, hybridization studies, and fluorescent properties

    DEFF Research Database (Denmark)

    Perlíková, Pavla; Ejlersen, Maria; Langkjaer, Niels

    2014-01-01

    Efficient synthesis of a building block for the incorporation of a bis-pyrene-modified unlocked nucleic acid (UNA) into oligonucleotides (DNA*) was developed. The presence of bis-pyrene-modified UNA within a duplex leads to duplex destabilization that is more profound in DNA*/RNA and less distinc...

  12. Water sorption of CH3- and CF3-Bis-GMA based resins with additives

    Directory of Open Access Journals (Sweden)

    Anuradha Prakki

    2012-08-01

    Full Text Available OBJECTIVES: To evaluate the effect of additives on the water sorption characteristics of Bis-GMA based copolymers and composites containing TEGDMA, CH3Bis-GMA or CF3Bis-GMA. MATERIAL AND METHODS: Fifteen experimental copolymers and corresponding composites were prepared combining Bis-GMA and TEGDMA, CH3Bis-GMA or CF3Bis-GMA, with aldehyde or diketone (24 and 32 mol% totaling 30 groups. For composites, barium aluminosilicate glass and pyrogenic silica was added to comonomer mixtures. Photopolymerization was effected by 0.2 wt% each of camphorquinone and N,N-dimethyl-p-toluidine. Specimen densities in dry and water saturated conditions were obtained by Archimedes' method. Water sorption and desorption were evaluated in a desorption-sorption-desorption cycle. Water uptake (%WU, water desorption (%WD, equilibrium solubility (ES; µg/mm³, swelling (f and volume increase (%V were calculated using appropriate equations. RESULTS: All resins with additives had increased %WU and ES. TEGDMA-containing systems presented higher %WU, %WD, ES, f and %V values, followed by resins based on CH3Bis-GMA and CF3Bis-GMA. CONCLUSIONS: Aldehyde and diketone led to increases in the water sorption characteristics of experimental resins.

  13. 40 CFR 721.10165 - Carbonotrithioic acid, bis(phenylmethyl) ester.

    Science.gov (United States)

    2010-07-01

    ...(phenylmethyl) ester. 721.10165 Section 721.10165 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.10165 Carbonotrithioic acid, bis(phenylmethyl) ester. (a) Chemical... carbonotrithioic acid, bis(phenylmethyl) ester (PMN P-08-138; CAS No.26504-29-0) is subject to reporting under...

  14. 40 CFR 721.1577 - 1,4-Benzenedicarboxylic acid, bis [4-(ethenyloxy) butyl] ester.

    Science.gov (United States)

    2010-07-01

    ... ester. 721.1577 Section 721.1577 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED... Specific Chemical Substances § 721.1577 1,4-Benzenedicarboxylic acid, bis ester. (a) Chemical substance and... acid, bis ester (PMN P-98-1163; CAS No. 117397-31-6) is subject to reporting under this section for...

  15. Palladium-Catalyzed Polyfluorophenylation of Porphyrins with Bis(polyfluorophenylzinc Reagents

    Directory of Open Access Journals (Sweden)

    Toshikatsu Takanami

    2013-10-01

    Full Text Available A facile and efficient method for the synthesis of pentafluorophenyl- and related polyfluorophenyl-substituted porphyrins has been achieved via palladium-catalyzed cross-coupling reactions of brominated porphyrins with bis(polyfluorophenylzinc reagents. The reaction is applicable to a variety of free-base bromoporphyrins, their metal complexes, and a number of bis(polyfluorophenylzinc reagents.

  16. 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

  17. Gray's reinforcement sensitivity model and child psychopathology: laboratory and questionnaire assessment of the BAS and BIS.

    Science.gov (United States)

    Colder, Craig R; O'Connor, Roisin M

    2004-08-01

    The Behavioral Approach System (BAS) and Behavioral Inhibition System (BIS) are widely studied components of Gray's sensitivity to reinforcement model. There is growing interest in integrating the BAS and BIS into models of risk for psychopathology, however, few measures assess BAS and BIS functioning in children. We adapted a questionnaire measure and reaction time task from adult studies to assess the BAS and BIS in a sample of 9-12 year olds (N = 63; 42% female). A continuous performance task was also administered to assess physiological correlates of the BAS and BIS. Factor analysis supported 3 subdimensions of the BAS (Drive, Reward Responsivity, and Impulsivity/Fun seeking), and one dimension of the BIS (sensitivity to punishment). Results supported the utility of the questionnaire measures and reaction time task as assessments of BAS and BIS functioning. Moreover, these measures were associated with internalizing and externalizing problem behavior as expected. High levels of impulsivity/fun seeking, but not drive or reward responsivity, were associated with high levels of externalizing problems, whereas high levels of sensitivity to punishment were associated with high levels of internalizing behavior problems. The relation between physiological indices and caregiver reports of the BAS, BIS, and problem behavior were complex and not consistent with expectation.

  18. Novel organosoluble polyimide based on an asymmetric bis(ether amine): 3, 4'-Bis(4-aminophenoxy)-benzophenone

    Institute of Scientific and Technical Information of China (English)

    Qian Qian Bu; Shu Jiang Zhang; Hui Li; Yan Feng Li

    2012-01-01

    A new kind of asymmetrical ether diamine,3,4'-bis(4-aminophenoxy)benzophenone (BABP),was synthesized from the nucleophilic substitution reaction of 4-chloronitrobenzene and 3,4'-dihydroxybenzophenone in the presence of potassium carbonate,followed by catalytic reduction with SnCl2-6H2O and concentrated hydrochloric acid.The prepared diamine was employed in the preparation of a novel polyimide containing asymmetrical diaryl ether segments via the polycondensation of it with BTDA by a two-step method.The resulting polyimide exhibits excellent solubility,film-forming capability and high thermal resistance.

  19. {μ-trans-N,N′-Bis[2-(2-hydroxyethylaminoethyl]oxamidato(2−}bis[picratonickel(II

    Directory of Open Access Journals (Sweden)

    Chunliang Tian

    2010-01-01

    Full Text Available The title complex, [Ni2(C6H2N3O72(C10H20N4O4], contains a centrosymmetric binuclear unit in which the oxamide ligand (located on a centre of symmetry acts in a bis-tetradentate fashion and the picrate anion binds to nickel(II in a bidentate mode. The NiII atom displays a distorted octahedral coordination with axial elongation. The binuclear molecules are linked by intermolecular N—H...O, O—H...O and C—H...O hydrogen bonds into a two-dimensonal supramolecular network extending parallel to (100.

  20. Electrochemical Synthesis and Structural Characterization of a Novel Mixed-valence Copper (I)-copper (II) Complex: {[Bis(ethylenediamine) Copper (II)] Bis[diiodocuprate (I)]}

    OpenAIRE

    Mahboobeh Dashti Ardakani; Majid M. Heravi; Saeed Dehghanpour; Lida Fotouhi

    2007-01-01

    A novel, mixed-valent copper(I)-copper(II) complex, {[bis(ethylene-diamine)copper(II)] bis[diiodocuprate(I)]} (1), has been prepared by electrochemicaldissolution of a sacrificial copper anode in a solution of ethylenediamine (en), I2 andtetraethylammoniumperchlorate (TEAP) as supporting electrolyte in acetonitrile (AcN)and characterized by single-crystal X-ray structure determination. The crystal structure ofthe complex 1 shows that it consists of a CuI2 polymer formed from I- ligands bridgi...

  1. Synthesis, spectroscopic properties and theoretical studies of bis-Schiff bases derived from polyamine and pyrazolones.

    Science.gov (United States)

    Ren, Tiegang; Liu, Shuyun; Li, Guihui; Zhang, Jinglai; Guo, Jia; Li, Weijie; Yang, Lirong

    2012-11-01

    A series of novel bis-Schiff base were synthesized from 1-aryl-3-methyl-4-benzoyl-5-pyrazolones and diethylenetriamine (or triethylenetetramine) as the starting materials. All of these bis-Schiff bases were characterized by means of NMR, IR, and MS. The UV-vis absorption spectra and fluorescent spectra of these bis-Schiff bases were also measured. Moreover, the B3LYP/6-31G(d) method was used to optimize the ground state geometry of the bis-Schiff bases; and the UV-vis spectroscopic properties of the products were computed and compared with corresponding experimental data based on cc-pVDZ basis set of TD-B3LYP method. It has been found that all of these bis-Schiff bases show a remarkable absorption peak in a wavelength range of 270-340 nm; and their maximum emission peaks are around 348 nm.

  2. 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.

  3. 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.

  4. Formation and Characterization of Mixed Crystals Based on Bis (ThioureaCadmium Chloride and Bis (ThioureaCadmium Iodide

    Directory of Open Access Journals (Sweden)

    I.S. Prameela Kumar

    2014-07-01

    Full Text Available Bis(thioureacadmium chloride(BTCC and bis(thioureacadmium iodide (BTCI are metal complexes of thiourea having better nonlinear optical properties than KH2PO4. An attempt has been made in the present study to form mixed crystals based on BTCC and BTCI (even though their crystal lattices mismatch from aqueous solutions, the precursors mixed in proper proportions. A total of seven (including the end members crystals were formed by the free evaporation method and characterized chemically, structurally, thermally, optically and electrically. The X-ray diffraction measurements indicate that (BTCCX(BTCI1-X crystals with x=1.0,0.8 and 0.6 are orthorhombic in structure with space group Pmn21 and that with x=0.5, 0.4, 0.2 and 0.0 are monoclinic in structure with space group P21/c. All the grown crystals are found to be thermally stable up to 215 °C and possessing wide optical transmission window (300-900 nm which is suitable for NLO applications. The electrical measurements indicate that the grown crystals exhibit a normal dielectric behavior. The results obtained in the present study indicate that mixed crystals can be formed from the isomorphous precursors directly even though the end member’s crystals have lattice mismatching.

  5. 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.

  6. 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

  7. 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.

  8. In vitro microbiological evaluation of novel bis pyrazolones.

    Science.gov (United States)

    Narayana Rao, D V; Raghavendra Guru Prasad, A; Spoorthy, Y N; Raghunatha Rao, D; Ravindranath, L K

    2014-03-01

    Two series of bis pyrazolones (one with 3-methyl substituent and the other one with 3-amino substituent on the pyrazolone ring) were synthesized by the cyclization reaction between various hydrazides with esters/cyano esters in ethanolic medium. Structures of newly synthesized compounds were confirmed by elemental analysis, IR, (1)H NMR and mass spectral data. These compounds were screened for antibacterial and antifungal activities. The compounds of series 3 with amino substituent demonstrated better activity than the compounds of series 2 with methyl substituent on the pyrazolone ring. Compounds "e, f, c and d" showed higher antimicrobial activity than the compounds "b and a". The antimicrobial potentials of the synthesized compounds were compared with that of standards.

  9. 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.

  10. 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....

  11. 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).

  12. Synthesis and spectral properties of some bis-substituted formazans

    Science.gov (United States)

    Tezcan, Habibe

    2008-03-01

    Novel, 1,4-bis-[3,3'-phenyl-5,5'-( o-carboxyphenyl)-formaz-1-yl]-benzene- o-sulphonic acid and its derivatives contained sbnd OH group at the o-, m-, p-positions of the 3-phenyl ring were synthesized. The structures of the formazans were confirmed by elemental analyses, GC-mass, IR, 1H NMR, UV-vis spectra. Their absorption properties were investigated. It was seen that λmax values shifted towards shorter wave lengths by 130 nm in CSPF relative to 1,3,5-triphenylformazan (TPF) due to the fact that the structure of CSPF contained electron withdrawing sbnd COOH and sbnd SO 3H groups (hypsochromic effect). With binding of sbnd OH group to 3-phenyl ring of CSPF, it was observed a small bathochromic effect in accordance to the electron donating effect of sbnd OH group.

  13. 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.

  14. Neuroprotective copper bis(thiosemicarbazonato) complexes promote neurite elongation.

    Science.gov (United States)

    Bica, Laura; Liddell, Jeffrey R; Donnelly, Paul S; Duncan, Clare; Caragounis, Aphrodite; Volitakis, Irene; Paterson, Brett M; Cappai, Roberto; Grubman, Alexandra; Camakaris, James; Crouch, Peter J; White, Anthony R

    2014-01-01

    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.

  15. 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.

  16. [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.

  17. Synthesis of 1,3-diynes via detelluration of bis(ethynyl)tellurides

    Energy Technology Data Exchange (ETDEWEB)

    Stefani, Helio A.; PenaI, Jesus M. [Universidade de Sao Paulo (FCF/USP), SP (Brazil). Fac. de Ciencias Farmaceuticas; Zukerman-Schpector, Julio [Universidade Federal de Sao Carlos (DQ/UFSCar), SP (Brazil). Dept. de Quimica; Tiekink, Edward R.T. [University of Malaya, Kuala Lumpur (Malaysia). Dept. of Chemistry

    2011-07-01

    The synthesis of symmetric conjugated diyne systems with electron-withdrawing or electron-donating substituents via a palladium-catalyzed detelluration of bis(arylethynyl)tellurides and bis(alkylethynyl)tellurides is described. This procedure is effected under atmospheric conditions in DMF using Pd(OAc)2 as a catalyst and AgOAc as an additive in the presence of triethylamine. This route offers efficient access to conjugated diyne systems in short reaction time. X-ray crystallographic structure and solid-state conformation of bis(p-tolylethynyl)telluride show a supramolecular chain aligned along the b axis, sustained by C-H...p interactions. (author)

  18. Crystal structures of μ-oxalato-bis[azido(histaminecopper(II] and μ-oxalato-bis[(dicyanamido(histaminecopper(II

    Directory of Open Access Journals (Sweden)

    Chen Liu

    2015-11-01

    Full Text Available The title compounds, μ-oxalato-κ4O1,O2:O1′,O2′-bis[[4-(2-aminoethyl-1H-imidazole-κ2N3,N4](azido-κN1copper(II], [Cu2(C2O4(N32(C5H9N32], (I, and μ-oxalato-κ4O1,O2:O1′,O2′-bis[[4-(2-aminoethyl-1H-imidazole-κ2N3,N4](dicyanamido-κN1copper(II], [Cu2(C2O4(C2N32(C5H9N32], (II, are two oxalate-bridged dinuclear copper complexes. Each CuII ion adopts a five-coordinate square-pyramidal coordination sphere where the basal N2O2 plane is formed by two O atoms of the oxalate ligand and two N atoms of a bidentate chelating histamine molecule. The apical coordination site in compound (I is occupied by a monodentate azide anion through one of its terminal N atoms. The apical coordination site in compound (II is occupied by a monodentate dicyanamide anion through one of its terminal N atoms. The molecules in both structures are centrosymmetric. In the crystals of compounds (I and (II, the dinuclear complexes are linked through N—H...X and C—H...X (X = N, O hydrogen bonds where the donors are provided by the histamine ligand and the acceptor atoms are provided by the azide, dicyanamide, and oxalate ligands. In compound (I, the coordinatively unsaturated copper ions interact with the histamine ligand via a C—H...Cu interaction. The coordinatively unsaturated copper ions in compound (II interact via a weak N...Cu interaction with the dicyanamide ligand of a neighboring molecule. The side chain of the histamine ligand is disordered over three sets of sites in (II.

  19. 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

  20. 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.

  1. Ruthenium complexes containing bis-benzimidazole derivatives as a new class of apoptosis inducers.

    Science.gov (United States)

    Li, Linlin; Wong, Yum-Shing; Chen, Tianfeng; Fan, Cundong; Zheng, Wenjie

    2012-01-28

    A series of ruthenium complexes containing bis-benzimidazole derivatives have been synthesized and identified as able to target mitochondria and induce caspase-dependent apoptosis in cancer cells through superoxide overproduction.

  2. [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

  3. Highly Efficient Synthesis of Bis(indolyl)methanes Catalyzed by Sodium Tetrafluoroborate

    Institute of Scientific and Technical Information of China (English)

    KAMBLE,Vinod Tribhuvannathji; BANDGAR,Babasaheb Pandurang; BAVIKAR,Sudhir Narayanrao

    2007-01-01

    Sodium tetrafluoroborate (NaBF4) was found to catalyze the electrophilic substitution reactions of indoles with aldehydes and ketones under solvent-free conditions to afford the corresponding bis(indolyl)methanes in high yields.

  4. Dosimetric properties of N-isopropylacrylamide polymer gel using nonelectrophoresis grade BIS in preparation

    Directory of Open Access Journals (Sweden)

    Roghayeh Khodadadi

    2015-01-01

    Conclusion: Substitution non-electrophoresis grade BIS not only reduces the cost of gel preparation without any adverse effect on its dose response, but also its lower background increases the dynamic range of dose linearity.

  5. Synthesis of Bis (silyloxy) Cross-Conjugated Polyenes and Their Sequential Ring Formations via Electrocyclization

    OpenAIRE

    Wada, Eiji; Kanemasa, Shuji; Kimura, Nobuo; KIMURA, Hirohiko; Tsuge, Otohiko

    1989-01-01

    Presented are the synthesis of several bis(silyloxy) cross-conjugated polyenes and some synthetic utilization of these new types of conjugation systems via thermal or photochemical electrocyclization.

  6. [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.

  7. 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.

  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. Photo-Physical Behaviour of CdSe Nanocrystals/Bis(dithiocarbamate) Linker Multilayered Hybrid Systems.

    Science.gov (United States)

    Vercelli, B; Angella, G; Virgili, T; López Suarez, I; Pasini, M

    2015-05-01

    Multilayered films composed by CdSe Nanocrystals (NCs) interlinked by ethylene-1,2-bis(dithiocarbamate) or adipate anions were prepared on ITO glass via layer-by-layer alternation. The films were analyzed by UV-vis, TEM, Photoluminescence (PL) emission and Pump-Probe spectroscopy. While the PL emission of the two samples present no differences, femtosecond Pump-probe experiments reveal an higher charge generation efficiency in bis(dithiocarbamate) based films than in dicarboxylate ones.

  10. Radical Oxidative Cyclization of Spiroacetals to Bis-spiroacetals: An Overview

    Directory of Open Access Journals (Sweden)

    Margaret A. Brimble

    2004-05-01

    Full Text Available The use of iodobenzene diacetate and iodine under photolytic conditions provides and efficient method for the oxidative cyclization of spiroacetals bearing an hydroxyalkyl side chain to bis-spiroacetals. An overview is provided of the use of this reaction for the synthesis of several bis-spiroacetal containing natural products such as the polyether antibiotics salinomycin and CP44,161 and the shellfish toxins, the spirolides.

  11. ICU患者行脑电双频指数(BIS)监测的护理

    Institute of Scientific and Technical Information of China (English)

    李菲

    2012-01-01

      目的通过对脑电双频指数(BIS)监测的护理,体会BIS在患者病情观察中的作用。方法将BIS监测的4个电极,分别放置于前额中心,鼻上(两内眦连线)5cm,太阳穴区(眼角和发线之间),一侧眉弓平行上部,连接电极传感器与BIS模块后,显示数值及波形。结果均顺利完成BIS监测。结论 BIS可以作为麻醉镇静和深度的监测指标,也可作为监测脑代谢的指标,BIS使用人群广泛,操作简便,具有很强的连续性,和直观性。%  objective: through the electrical double frequency index (BIS) monitoring and nursing experience BIS in patients with the role of observation on patient's ilness. Methods:BIS monitoring four electrodes, placed in the center of the forehead, nose (two inner canthus attachment) 5 cm, temporal area (canthus and hair line between), side eyebrow bow paralel upper, connection electrode sensor and BIS module, display the numerical and waveform. Results: al complete BIS monitoring. Conclusion: BIS can be used as a sedative and depth of anesthesia monitoring index, but also can be used as monitoring brain metabolism index, BIS use crowd widely, the operation is simple, has a strong continuity, and intuitive.

  12. 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...

  13. 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

  14. 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....

  15. Toxicity of some bis Mannich bases and corresponding piperidinols in the brine shrimp (Artemia salina) bioassay.

    Science.gov (United States)

    Gul, H Inci; Gul, Mustafa; Erciyas, Ercin

    2003-01-01

    Some acetophenone-derived bis Mannich bases were synthesized: bis[beta-benzoylethyl]ethylamine hydrochloride (IIa), bis[beta-(p-methylbenzoyl)ethyl]ethylamine hydrochloride (IIb), bis[beta-(p-chlorobenzoyl)ethyl]ethy- lamine hydrochloride (IId), bis[(2-thienylcarbonyl)ethyl]ethylamine hydrochloride (IIe); some corresponding piperidinol derivatives: 3-benzoyl-1-ethyl-4-phenyl-4-piperidinol hydrochloride (IIIa), 1-ethyl-3-(p-methyl- benzoyl)-4-(p-methylphenyl)-4-piperidinol hydrochloride (IIIb), 1-ethyl-3-(p-methoxybenzoyl)-4-(p-methoxy- phenyl)-4-piperidinol hydrochloride (IIIc), 1-ethyl-3-(p-chlorobenzoyl)-4-(p-chlorophenyl)-4-piperidinol hydrochloride (IIId), 1-ethyl-4-(2-thienyl)-3-(2-thienylcarbonyl)-4-piperidinol hydrochloride (IIIe); and some representative quaternary piperidinols: 3-benzoyl-1-ethyl-4-hydroxy-1-methyl-4-phenylpiperidinium iodide (IIIf), 1-ethyl-4-hydroxy-1-methyl-3-(p-methylbenzoyl)-4-(p-methylphenyl)piperidinium iodide (IIIg). Toxicity was tested by the brine shrimp bioassay as an intermediate test before further in vivo animal experiments. Piperidine derivatives were found to be more potent than bis Mannich bases. Quaternary piperidine derivatives IIIf and IIIg and also non-quaternary piperidine derivatives IIIb, IIIe, IIIc and IIId were more toxic than 5-fluorouracil in brine shrimp bioassay. Except for IIe, bis Mannich bases were not effective. Quaternization and conversion of bis Mannich bases to corresponding piperidines improved the toxicity. The lipid solubility of the compounds may not affect the toxicity. From these findings the quaternary piperidine derivatives IIIf and IIIg could be used in further drug development and also for in vivo experiments.

  16. Polycarbonate modified with crystallisable bis-ester tetra-amide units in a reaction extrusion process

    NARCIS (Netherlands)

    Zuiderduin, W.C.J.; Gaymans, R.J.

    2008-01-01

    Dry blends of polycarbonate (PC) and a bis-ester tetra-amide were extruded at 305 °C with a mini twin screw extruder. The bis-ester tetra-amide diamide (T6T6T-dimethyl) was composed of two and a half repeat units of Nylon 6,T and had methyl ester endgroups. During the extrusion, a trans-esterificati

  17. Synthesis and murine antineoplastic activity of bis[(carbamoyloxy)methyl] derivatives of pyrrolo[2,1-a]isoquinoline.

    Science.gov (United States)

    Anderson, W K; McPherson, H L; New, J S; Rick, A C

    1984-10-01

    The synthesis of 4,5-dihydropyrrolo[2,1-a]isoquinolines is reported. A key intermediate in the synthesis of 8-methoxy-4,5-dihydropyrrolo[2,1-a]isoquinolines, 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (6), was prepared by using a regiospecific phenolic cyclization reaction. The P388 lymphocytic activity is reported for 1,2-bis(hydroxymethyl)-5,6-dihydro-8-methoxy-3-methylpyrrolo [2,1-a]isoquinoline bis(isopropylcarbamate) (11a), 1,2-bis(hydroxymethyl)-5,6-dihydro-8-methoxy-3-methylpyrrolo[2,1-a ]isoquinoline bis(cyclohexylcarbamate) (11b), 1,2-bis(hydroxymethyl)-5,6-dihydro-3-methylpyrrolo[2,1-a]isoqui nol ine bis(methylcarbamate) (13a), 1,2-bis(hydroxymethyl)-5,6-dihydro-3-methylpyrrolo [2,1-a]isoquinoline bis(ethylcarbamate) (13b), and 1,2-bis(hydroxymethyl)-5,6-dihydroxy-3-methylpyrrolo[2,1-a]isoq uin oline bis(cyclohexylcarbamate) (13c); all of the compounds were active. Compound 11a was tested in an expanded tumor panel and was shown to be active against B16 melanocarcinoma, CD8F1 mammary, L1210 lymphoid leukemia, colon 38, and MX-1 human tumor breast xenograft systems.

  18. Conductivity and thermopower studies of bis-tetramethyltetraselenafulvalenium hexafluorophosphide, bis-tetramethyltetrathiafulvalenium hexafluorophosphide, and their solid solutions, (TMTSF1-xTMTTFx)2PF6

    DEFF Research Database (Denmark)

    Mortensen, Kell; Engler, E. M.

    1984-01-01

    The conductivity σ and the thermoelectric power S have been studied experimentally on the organic conductors bis-tetramethyltetraselenafulvalenium hexafluorophosphide [(TMTSF)2PF6] and bis-tetramethyltetrathiafulvalenium hexafluorophosphide [(TMTTF)2PF6] and their solid solutions: (TMTSF1-xTMTTFx)2......PF6. Dramatic effects are seen in σ already when dilute concentrations of TMTTF molecules are introduced in the TMTSF chains, and for x=0.1, σ shows generally activated behavior. The thermopower, on the contrary, remains basically unaffected for x at least as large as 0.25. These unusual findings...

  19. Synthesis and characterization of the adducts of bis(O-butylxanthato)Ni(II) with nitrogen donor ligands and X-ray structure of bis(O-butylxanthato)bis(3-chloropyridine)nickel(II)

    Science.gov (United States)

    Kour, Inderjeet; Kour, Gurvinder; Sachar, Renu; Anthal, Sumati; Kant, Rajni

    2017-01-01

    A new series of adducts of bis(O-butylxanthato)nickel(II) with substituted pyridines have been synthesized by treating bis(O-butylxanthato)nickel(II) with substituted pyridines in acetone. The complexes have been characterized by elemental analysis, conductivity measurements, magnetic susceptibility measurements, TGA/DTA studies, infrared and electronic spectral studies. X-ray studies of one of the adduct bis(O-butylxanthato)bis(3-chloropyridine)nickel(II) shows that the central metal is octahedrally coordinated within a trans-N2S4 donor set, with the Ni atom located on a centre of inversion. The complex crystallizes in the monoclinic space group P21/c with unit cell parameters a = 11.8088(8) Å, b = 12.2042(7) Å, c = 9.0252(5) Å, β = 93.789(6), Z = 2. Crystal structure was solved by direct methods and refined by full matrix least squares procedures to a final R-value of 0.0380 (wR2 = 0.0885) for 2083 observed reflections. The butyl chain is disordered over two set of sites, with occupancy ratios of 0.741:0.259. These studies suggest a distorted octahedral structure and paramagnetic nature of the adducts.

  20. 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.

  1. Study of the BIS-MDT /ATLAS Chambers with Cosmic Rays

    CERN Document Server

    Tsarouchas, Charilaos; Gazis, Evangelos; Tsipolitis, Georgios

    This thesis is a study of data obtained from cosmic tests of BIS chambers. BIS chambers belong to the muon sub detector of ATLAS experiment at the CERN laboratory in Geneva. Moreover BIS chambers are Greek implemented chambers from a fruitful collaboration of University of Athens (construction of tubes), Na- tional Technical University of Athens (quality assurance and quality Control) and University of Thesaloniki (final assembly). From September of 2000 to the April of 2004 the Greek muon team tried its best to implement the 112 BIS-MDT chambers. The study if this thesis, is a small ring in this chain of completion steps and connects previous work and installation procedures programmed for April of 2006. Briefly, this thesis gives in the first chapter information about the CERN lab- oratory, the ATLAS experiment and the BIS-MDT chambers. In chapter 2, pre- sented some very elementary operation principles of BIS detection unit, the MDT tube. In chapter 3, an extensive study of TDC spectrum is done and in para...

  2. 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.

  3. Functional materials from self-assembled bis-urea macrocycles.

    Science.gov (United States)

    Shimizu, Linda S; Salpage, Sahan R; Korous, Arthur A

    2014-07-15

    CONSPECTUS: This Account highlights the work from our laboratories on bis-urea macrocycles constructed from two C-shaped spacers and two urea groups. These simple molecular units assembled with high fidelity into columnar structures guided by the three-centered urea hydrogen bonding motif and aryl stacking interactions. Individual columns are aligned and closely packed together to afford functional and homogeneous microporous crystals. This approach allows for precise and rational control over the dimensions of the columnar structure simply by changing the small molecular unit. When the macrocyclic unit lacks a cavity, columnar assembly gives strong pillars. Strong pillars with external functional groups such as basic lone pairs can expand like clays to accept guests between the pillars. Macrocycles that contain sizable interior cavities assemble into porous molecular crystals with aligned, well-defined columnar pores that are accessible to gases and guests. Herein, we examine the optimal design of the macrocyclic unit that leads to columnar assembly in high fidelity and probe the feasibility of incorporating a second functional group within the macrocycles. The porous molecular crystals prepared through the self-assembly of bis-urea macrocycles display surface areas similar to zeolites but lower than MOFs. Their simple one-dimensional channels are well-suited for studying binding, investigating transport, diffusion and exchange, and monitoring the effects of encapsulation on reaction mechanism and product distribution. Guests that complement the size, shape, and polarity of the channels can be absorbed into these porous crystals with repeatable stoichiometry to form solid host-guest complexes. Heating or extraction with an organic solvent enables desorption or removal of the guest and subsequent recovery of the solid host. Further, these porous crystals can be used as containers for the selective [2 + 2] cycloadditions of small enones such as 2-cyclohexenone or 3

  4. Bis(phosphine)boronium salts. Synthesis, structures and coordination chemistry.

    Science.gov (United States)

    Shuttleworth, Timothy A; Huertos, Miguel A; Pernik, Indrek; Young, Rowan D; Weller, Andrew S

    2013-09-28

    The synthesis of a range of bis(phosphine)boronium salts is reported [(R2HP)2BH2][X] (R = Ph, (t)Bu, Cy) in which the counter anion is also varied (X(-) = Br(-), [OTf](-), [BAr(F)4](-), Ar(F) = 3,5-(CF3)2C6H3). Characterization in the solid-state by X-ray diffraction suggests there are weak hydrogen bonds between the PH units of the boronium cation and the anion (X(-) = Br(-), [OTf](-)), while solution NMR spectroscopy also reveals hydrogen bonding occurs in the order [BAr(F)4](-) < [OTf](-) < Br(-). [(Ph2HP)2BH2][BAr(F)4] reacts with RhH(PPh3)3, by elimination of H2, forming [Rh(κ(1),η-PPh2BH2·PPh2H)(PPh3)2][BAr(F)4] which shows a β-B-agostic interaction from the resulting base stabilised phosphino-borane ligand. Alternatively such ligands can be assembled directly on the metal centre by reaction of in situ generated {Rh(PPh3)3}(+) and Ph2HP·BH3 to afford [Rh(κ(1),η-PPh2BH2·PPh3)(PPh3)2][BAr(F)4], which was characterised by X-ray crystallography. Addition of H3B·PPh2H to the well-defined 16-electron "T-shaped" complex [Rh(P(i)Bu3)2(PPh3)][BAr(F)4] (characterised by X-ray crystallography) formed of a mixture of base-stabilised phosphino borane ligated complexes [Rh(κ(1),η-PR2BH2·PR3)(PR3)2][BAr(F)4] (R = (i)Bu or Ph). These last observations may lend clues to the formation of bis(phosphine)boronium salts in the catalytic dehydrocoupling reaction of phosphine boranes as mediated by Rh(I) compounds.

  5. Air-stable platinum and palladium complexes featuring bis[2,4-bis(trifluoromethyl)phenyl]phosphinous acid ligands.

    Science.gov (United States)

    Kurscheid, Boris; Neumann, Beate; Stammler, Hans-Georg; Hoge, Berthold

    2011-12-23

    Secondary phosphane oxides, R(2)P(O)H, are commonly used as preligands for transition-metal complexes of phosphinous acids, R(2)P-OH (R=alkyl, aryl), which are relevant as efficient catalysts in cross-coupling processes. In contrast to previous work by other groups, we are interested in the ligating properties of an electron-deficient phosphinous acid, (R(f))(2)P-OH, bearing the strongly electron-withdrawing and sterically demanding 2,4-bis(trifluoromethyl)phenyl group towards catalysis-relevant metals, such as palladium and platinum. The preligand bis[2,4-bis(trifluoromethyl)phenyl]phosphane oxide, (R(f))(2)P(O)H, reacts smoothly with solid platinum(II) dichloride yielding the trans-configured phosphinous acid platinum complex trans-[PtCl(2)({2,4-(CF(3))(2)C(6)H(3)}(2)POH)(2)]. The deprotonation of one phosphinous acid ligand with an appropriate base leads to the cis-configured monoanion complex cis-[PtCl(2)({2,4-(CF(3))(2)C(6)H(3)}(2)PO)(2)H](-), featuring the quasi-chelating phosphinous acid phosphinito unit, (R(f))(2)P-O-H···O=P(R(f))(2), which exhibits a strong hydrogen bridge substantiated by an O···O distance of 245.1(4) pm. The second deprotonation step is accompanied by a rearrangement to afford the trans-configured dianion trans-[PtCl(2)({2,4-(CF(3))(2)C(6)H(3)}(2)PO)(2)](2-). The reaction of (R(f))(2)P(O)H with solid palladium(II) dichloride initially yields a mononuclear palladium complex [PdCl(2)({2,4-(CF(3))(2)C(6)H(3)}(2)POH)(2)], which condenses under liberation of HCl to the neutral dinuclear palladium complex [Pd(2)(μ-Cl)(2){({2,4-(CF(3))(2)C(6)H(3)}(2)PO)(2)H}(2)]. The equilibrium between the mononuclear [PdCl(2)({2,4-(CF(3))(2)C(6)H(3)}(2)POH)(2)] and dinuclear [Pd(2)(μ-Cl)(2){({2,4-(CF(3))(2)C(6)H(3)}(2)PO)(2)H}(2)] palladium complexes is reversible and can be shifted in each direction by the addition of base or HCl, respectively. Treatment of palladium(II) hexafluoroacetylacetonate, [Pd(F(6)acac)(2)], with a slight excess of (R(f))(2)P

  6. 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.

  7. Addition Reaction of Bis(diphenylphosphinyl) Butadiyne with Methylcyclopentadiene

    Institute of Scientific and Technical Information of China (English)

    YU Li-Zhi; XU Ke-Xin; MENG Ji-Ben; HUANG Yao-Dong

    2007-01-01

    Bis(diphenylphosphinyl)butadiyne reacted with methylcyclopentadiene at room temperature and four isomeric products were obtained. Crystal structures of isomers 1 and 3 have been 17.983(2), b=11.8723(12), c=20.081(2) (A),β=111.218(3)°, V=3996.5(8) (A)3, Z=4, Mr=849.36, Dc=1.412 g/cm3, F(000)=1752, μ=0.546 mm-1, the final R=0.0351 and wR=0.0951 for 3965with a=10.4144(15), b=13.0558(18), c=13.742(2) (A), α=70.453(8),β=75.382(8), y=72.312(8)°, V=1653.7(4)(A)3, Z=2, Mr=628.64, Dc=1.262 g/cm3, F(000)=664, μ=0.169 mm-1, the final R=0.0593 and wR=0.1296 for 4891 observed reflections (I > 2σ(I)). The structures of the other two isomers are identified via IR, 1H NMR and MS spectra.

  8. Compact bis-adduct fullerenes and additive-assisted morphological optimization for efficient organic photovoltaics.

    Science.gov (United States)

    Lai, Yun-Yu; Liao, Ming-Hung; Chen, Yen-Ting; Cao, Fong-Yi; Hsu, Chain-Shu; Cheng, Yen-Ju

    2014-11-26

    Bis-adduct fullerenes surrounded by two insulating addends sterically attenuate intermolecular interaction and cause inferior electron transportation. In this research, we have designed and synthesized a new class of bis-adduct fullerene materials, methylphenylmethano-C60 bis-adduct (MPC60BA), methylthienylmethano-C60 bis-adduct (MTC60BA), methylphenylmethano-C70 bis-adduct (MPC70BA), and methylthienylmethano-C70 bis-adduct (MTC70BA), functionalized with two compact phenylmethylmethano and thienylmethylmethano addends via cyclopropyl linkages. These materials with much higher-lying lowest unoccupied molecular orbital (LUMO) energy levels successfully enhanced the Voc values of the P3HT-based solar cell devices. The compact phenylmethylmethano and thienylmethylmethano addends to promote fullerene intermolecular interactions result in aggregation-induced phase separation as observed by the atomic force microscopy (AFM) and transmission electron microscopy (TEM) images of the poly(3-hexylthiophene-2,5-diyl) (P3HT)/bis-adduct fullerene thin films. The device based on the P3HT/MTC60BA blend yielded a Voc of 0.72 V, a Jsc of 5.87 mA/cm(2), and a fill factor (FF) of 65.3%, resulting in a power conversion efficiency (PCE) of 2.76%. The unfavorable morphologies can be optimized by introducing a solvent additive to fine-tune the intermolecular interactions. 1-Chloronaphthalene (CN) having better ability to dissolve the bis-adduct fullerenes can homogeneously disperse the fullerene materials into the P3HT matrix. Consequently, the aggregated fullerene domains can be alleviated to reach a favorable morphology. With the assistance of CN additive, the P3HT/MTC60BA-based device exhibited enhanced characteristics (a Voc of 0.78 V, a Jsc of 9.04 mA/cm(2), and an FF of 69.8%), yielding a much higher PCE of 4.92%. More importantly, the additive-assisted morphological optimization is consistently effective to all four compact bis-adduct fullerenes regardless of the methylphenylmethano

  9. 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.

  10. Crystal structures of the water and acetone monosolvates of bis-[4'-(pyridin-4-yl)-2,2':6',2''-terpyridine]-manganese(II) bis-(hexa-fluorido-phosphate).

    Science.gov (United States)

    Lourenço, Leandro M O; Almeida Paz, Filipe A; Fernandes, José A

    2015-04-01

    The crystal structures of bis-[4'-(pyridin-4-yl)-2,2':6',2''-terpyridine]-man-gan-ese(II) bis-(hexa-fluorido-phosphate) monohydrate, [Mn(C20H14N4)2](PF6)2·H2O, (1), and bis-[4'-(pyridin-4-yl)-2,2':6',2''-terpyridine]-manganese(II) bis(hexa-fluorido-phosphate) acetone monosolvate, (2), [Mn(C20H14N4)2](PF6)2·CH3COCH3, are described. At 150 K, (1) and (2) have monoclinic (P21/c) and ortho-rhom-bic (C2221) symmetries, respectively. Both structures exhibit octahedrally coordinated Mn(II) atoms and disorder. They display weak inter-actions, such as C-H⋯F, C-H⋯N, C-H⋯π, F⋯π and π-π. The twofold rotation axis in the molecule of (2) is coincident with a twofold rotation axis of the crystal.

  11. 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.

  12. Synthesis and Crystal Structure of Bis(μ-bis(diphenyl-phosphino)methane)(μ-benzenethiolate)(acetonitrile)Dicopper(I) Perchlorate Diethylether Solvate

    Institute of Scientific and Technical Information of China (English)

    陈燕丹; 张礼仪; 陈忠宁

    2004-01-01

    The reaction between [Cu2(μ-dppm)2(MeCN)4](ClO4)2(dppm=bis(diphenylphos-phino)methane) and [Zn(PhS)2(bpy)] (bpy=2,2'-bipyridine,PhS=benzenethiolate) gave the complex [Cu2(μ-dppm)2(μ-PhS)(MeCN)]ClO4·0.5(Et2O)(C58H52ClNO4P4SCu2·0.5Et2O) which was determined by X-ray single-crystal diffraction.The crystal is of orthorhombic,space group P212121 with a=13.6157(3),b=20.8022(6),c=21.3299(6)A,V=6041.4(3) A3,Mr=1182.54,Dc=1.300 g/cm3,F(000)=2444,μ=0.934 mm-1 and Z=4.The final R=0.0773 and wR=0.1843 for 7744 observed reflections (I>2σ(I)).The dicopper atoms are doubly bridged by dppm as well as one S donor from benzenethiolate.One copper atom is in a distorted trigonal bipyramidal environ- ment,whereas the other adopts a distorted tetrahedral geometry.

  13. 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.

  14. Bis-butanediol-mercapturic acid (bis-BDMA) as a urinary biomarker of metabolic activation of butadiene to its ultimate carcinogenic species.

    Science.gov (United States)

    Kotapati, Srikanth; Sangaraju, Dewakar; Esades, Amanda; Hallberg, Lance; Walker, Vernon E; Swenberg, James A; Tretyakova, Natalia Y

    2014-06-01

    Human carcinogen 1,3-butadiene (BD) undergoes metabolic activation to 3,4-epoxy-1-butene (EB), hydroxymethylvinyl ketone (HMVK), 3,4-epoxy-1,2-butanediol (EBD) and 1,2,3,4-diepoxybutane (DEB). Among these, DEB is by far the most genotoxic metabolite and is considered the ultimate carcinogenic species of BD. We have shown previously that BD-exposed laboratory mice form 8- to 10-fold more DEB-DNA adducts than rats exposed at the same conditions, which may be responsible for the enhanced sensitivity of mice to BD-mediated cancer. In the present study, we have identified 1,4-bis-(N-acetyl-L-cystein-S-yl)butane-2,3-diol (bis-BDMA) as a novel DEB-specific urinary biomarker. Isotope dilution high-performance liquid chromatography-electrospray ionization-tandem mass spectrometry was employed to quantify bis-BDMA and three other BD-mercapturic acids, 2-(N-acetyl-L-cystein-S-yl)-1-hydroxybut-3-ene/1-(N-acetyl-L-cystein-S-yl)-2-hydroxy-but-3-ene (MHBMA, from EB), 4-(N-acetyl-L-cystein-S-yl)-1,2-dihydroxybutane (DHBMA, from HMVK) and 4-(N-acetyl-L-cystein-S-yl)-1,2,3-trihydroxybutane (THBMA, from EBD), in urine of confirmed smokers, occupationally exposed workers and BD-exposed laboratory rats. Bis-BDMA was formed in a dose-dependent manner in urine of rats exposed to 0-200 p.p.m. BD by inhalation, although it was a minor metabolite (1%) as compared with DHBMA (47%) and THBMA (37%). In humans, DHBMA was the most abundant BD-mercapturic acid excreted (93%), followed by THBMA (5%) and MHBMA (2%), whereas no bis-BDMA was detected. These results reveal significant differences in metabolism of BD between rats and humans.

  15. 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.

  16. [Bis(diphenylphosphinomethane-κ2P,P′]dichloridopalladium(II

    Directory of Open Access Journals (Sweden)

    Allen D. Hunter

    2009-02-01

    Full Text Available The title complex, [PdCl2(C25H22P2], is a slightly distorted square-planar bis(diphenylphosphinomethane cis-complex of PdCl2. The structure of a polymorph of the title compound has been described earlier, but the arrangement of the molecules observed in the current structure is distinctively different from that previously reported [Steffen & Palenik (1976. Inorg. Chem. 15, 2432–2439]. The earlier report describes a structure with individual well separated molecules crystallizing in space group P21/n. The polymorph described here, which is isostructrural to its Pt analogue [Babai et al. (2006. Z. Anorg. Allg. Chem. 632, 639–644], crystallizes in C2/c with chains of C2-symmetric molecules stretching parallel to the b axis. The Pd atoms and the bisphosphinomethane units are located on two different positions created by a non-crystallographic mirror operation with an occupancy of 0.6677 (11 for the major (PCH2PPd moiety. The positions of the Cl atoms of the minor moiety do coincide perfectly with those of the next molecule along the chain parallel to b, and they are thus not included in the disorder. The phenyl rings also do not take part in the disorder and are common to both the major and minor moieties of the (PCH2PPdCl2 units. Assuming no defects, molecules in each chain will thus have to be oriented the same way and the effect of the disorder of the (PCH2PPd unit is thus a reversal in direction of the chains parallel to b. The presence of light streaks of intensity between actual Bragg peaks indicates that a somehow ordered arrangement not resolved in the Bragg diffraction data may be present (i.e. an incommensurate superstructure rather than a random or domain arrangement of the chains.

  17. Crystal structure of bis{2,4-di-tert-butyl-6-[(isopropyliminomethyl]phenolato-κ2N,O}zinc dichloromethane monosolvate

    Directory of Open Access Journals (Sweden)

    Yuan-Zeng Hao

    2014-12-01

    Full Text Available In the title compound, [Zn(C18H28NO2]·CH2Cl2, the ZnII atom is N,O-chelated by two crystallographically independent salicylaldehyde imine ligands, leading to a distorted tetrahedral coordination sphere. The dihedral angle between the planes of the two metallacycles is 88.69 (6°. Intramolecular non-classical C—H...O hydrogen-bonding interactions are observed. In the crystal, the complex molecules stack into columns along the a axis. Dichloromethane solvent molecules are situated in the voids of this arrangement.

  18. 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.

  19. 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.

  20. Isolation and Characterization of 1,3-Bis(vinylbenzylthymine: Copolymerization with Vinylbenzyl Thymine Ammonium Chloride

    Directory of Open Access Journals (Sweden)

    Ngoc Chau H. Vy

    2017-01-01

    Full Text Available A novel bioinspired molecule, 1,3-bis(vinylbenzylthymine (bisVBT, was isolated as a by-product during the synthesis of 1-(4-vinylbenzylthymine (VBT and analyzed with various techniques: NMR, IR, and Single-Crystal X-ray Diffraction. In addition to embodying all the desired characteristics of VBT (i.e., having the ability to undergo a 2π+2π photodimerization reaction upon UV irradiation, a derivatization site, hydrogen bonding sites, and aromatic stacking ability the bisVBT monomer has the added benefit of having two vinyl groups for cross-polymerization. Copolymerizing the bisVBT monomer with the charged monomer vinylbenzyl triethylammonium (VBA chloride, different copolymers/terpolymers/cross-linked network were obtained, as it was shown by the absence of the vinyl resonance in the NMR spectra. Thermal Gravimetric Analysis (TGA and Differential Scanning Calorimetry (DSC showed an indication of materials with low degree of cross-linking. A Gel Permeation Chromatography (GPC method was improved to better characterize the molecular weight distributions of the cationic structures. Preliminary qualitative cross-linking studies were performed on bisVBT-VBA copolymers, and a comparison with VBT-VBA copolymers is presented.

  1. Ultrafast spectroscopy and structural characterization of a photochromic isomerizing ruthenium bis-sulfoxide complex.

    Science.gov (United States)

    King, Albert W; Malizia, Jason P; Engle, James T; Ziegler, Christopher J; Rack, Jeffrey J

    2014-12-21

    Irradiation of [Ru(bpy)2(bpSOp)](PF6)2 (where bpy is 2,2'-bipyridine and bpSOp is 1,3-bis(phenylsulfinyl)propane) results in the formation of two new isomers, namely the S,O- and O,O-bonded species. The crystal structure of the bis-thioether and bis-sulfoxide complexes are reported. NMR spectroscopy of the bis-thioether complex in solution is consistent with the molecular structure determined by diffraction methods. Further, NMR spectroscopy of the bis-sulfoxide complex reveals two conformers in solution, one that is consistent with the solid state structure and a second conformer showing distortion in the aliphatic portion of the chelate ring. Time-resolved visible absorption spectroscopy reveals isomerization time constants of 91 ps in dichloroethane (DCE) and 229 ps in propylene carbonate (PC). Aggregate isomerization quantum yields of 0.57 and 0.42 have been determined in DCE and in PC, respectively. The kinetics of the thermal reversion from the O,O- to S,O-bonded isomer are strongly solvent dependent, occurring with rates of 2.41 × 10(-3) and 4.39 × 10(-5) s(-1) in DCE, and 4.68 × 10(-4) and 9.79 × 10(-6) s(-1) in PC. The two kinetic components are assigned to the two isomers identified in solution.

  2. Properties of experimental resins based on synthesized propoxylated bis-GMA with different propionaldehyde ratios

    Directory of Open Access Journals (Sweden)

    Aline Bassi Denis

    2012-06-01

    Full Text Available The effect of different propionaldehyde ratios on the properties of bis-GMA-based comonomers and copolymers diluted with propoxylated bis-GMA (CH3bis-GMA was evaluated. Five experimental comonomers were prepared combining bis-GMA with CH3bis-GMA and propionaldehyde at 0, 2, 8, 16, 24 mol%. Light polymerization was effected with the use of 0.2 wt. (% each of camphorquinone and N,N-dimethyl-p-toluidine. Resin degrees of conversion (%DC were evaluated by FT-IR spectrophotometry and Tg by Differential Scanning Calorimeter. Complex viscosity (η*, the effect of temperature on η*, and Microhardness (H for dry and wet samples were also determined. Data were analyzed by Student's t-test, one-way ANOVA and Tukey-Kramer test (α = 0.05. The group with 24 mol% additive had a significant increase in %DC and H, and the lowest comonomer Tg and η*. No remarkable variation was noted in copolymers Tg s. All resins presented Newtonian behavior of viscosity, which linearly decreased with increased temperature. The η* decreased sigmoidally as the additive ratio increased.

  3. A RuBisCO-mediated carbon metabolic pathway in methanogenic archaea

    Science.gov (United States)

    Kono, Takunari; Mehrotra, Sandhya; Endo, Chikako; Kizu, Natsuko; Matusda, Mami; Kimura, Hiroyuki; Mizohata, Eiichi; Inoue, Tsuyoshi; Hasunuma, Tomohisa; Yokota, Akiho; Matsumura, Hiroyoshi; Ashida, Hiroki

    2017-01-01

    Two enzymes are considered to be unique to the photosynthetic Calvin–Benson cycle: ribulose-1,5-bisphosphate carboxylase/oxygenase (RuBisCO), responsible for CO2 fixation, and phosphoribulokinase (PRK). Some archaea possess bona fide RuBisCOs, despite not being photosynthetic organisms, but are thought to lack PRK. Here we demonstrate the existence in methanogenic archaea of a carbon metabolic pathway involving RuBisCO and PRK, which we term ‘reductive hexulose-phosphate' (RHP) pathway. These archaea possess both RuBisCO and a catalytically active PRK whose crystal structure resembles that of photosynthetic bacterial PRK. Capillary electrophoresis-mass spectrometric analysis of metabolites reveals that the RHP pathway, which differs from the Calvin–Benson cycle only in a few steps, is active in vivo. Our work highlights evolutionary and functional links between RuBisCO-mediated carbon metabolic pathways in methanogenic archaea and photosynthetic organisms. Whether the RHP pathway allows for autotrophy (that is, growth exclusively with CO2 as carbon source) remains unknown. PMID:28082747

  4. 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

  5. Synthesis, Characterization and Bioactivity of Complexes of Rare Earth with Bis-Schiff Base from Furoylpyrazolone

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Eleven new complexes of rare earths with bis-Schiff base derived from N,N'-bis[(1-phenyl-3-methyl-5-oxo-4-pyrazolinyl)α-furylmethylidyne] ethylenediimine ((HPMαFP)2en) were synthesized. On the basis of elemental analysis and molar conductance, a general formula of the complexes, [RE(HPMαFP)2 en(NO3)2]NO3 (RE=La, Pr, Nd, Sm, Eu, Tb, Dy, Ho, Er, Yb,Y), was given. The complexes were characterized by IR, UV-visible, 1H NMR, 13C NMR and fluorescence. The results show that the bis-Schiff base is a quadridentate ligand and the rare earth ions exhibit coordination of eight in the complexes. The antibacterial experiments indicate that they have high antibacterial activities against S. aureus, B. subtillis, E. coli, E.carotovora, C. flaccumfaciens.

  6. 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).

  7. Vaporization behavior of tetraoctylphosphonium bis(2-ethylhexyl)phosphate ionic liquid

    Science.gov (United States)

    McMurray, J. W.; Zhou, Y.; Luo, H. M.; Qu, J.

    2017-01-01

    The equilibrium vapor pressures, pe, of the ionic liquid tetraoctylphosphonium bis(2-ethylhexyl)phosphate ([P8888][DEHP]) over the temperature range 409-495 K were determined for the first time using mass loss Knudsen effusion. The pe versus temperature relationship compares well to 1-methyl-3-octylimidazolium bis(trifluoromethylsulfonyl)imide ([C8mim][NTf2]) but is lower than that of 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C2mim][NTf2]) when measured using the same technique. The discrepancies between the pe determined in this work for [C8mim][NTf2] and [C2mim][NTf2] with previous studies is discussed. The enthalpy and entropy of vaporization for all three fluids are estimated from the Clasius-Clapeyron relation.

  8. 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.

  9. 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.

  10. 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.

  11. Preparation, characterization and thermal stability of bentonite modified with bis-imidazolium salts

    Energy Technology Data Exchange (ETDEWEB)

    Makhoukhi, B., E-mail: benamarmakh@yahoo.fr [Laboratory of Separation and Purification Technologies, Department of Chemistry, Tlemcen University, Box 119, Tlemcen (Algeria); Villemin, D. [Laboratoire de Chimie Moléculaire et Thio-organique, UMR CNRS 6507, INC3M, FR 3038, ENSICAEN and Université de Caen, 14050 Caen (France); Didi, M.A. [Laboratory of Separation and Purification Technologies, Department of Chemistry, Tlemcen University, Box 119, Tlemcen (Algeria)

    2013-02-15

    Sodium bentonite was modified with several organic bis-imidazolium salts. Organoclays with water soluble surfactants were prepared by the traditional cation exchange reaction. The bis-imidazolium-bentonites were characterized by Fourier transform infrared spectroscopy (FTIR), powder X-ray diffraction analysis (PXRD) and thermogravimetric analysis (TGA). The effect of chemical composition and molecular weight of the salts on the thermal stability and basal spacing were evaluated. The bis-imidazolium-bentonites showed enhanced thermal stability (300–400 °C) and may be potentially useful materials for melt processing of polymer/layered silicates nanocomposites. - Highlights: ► Geometry and volume of the molecule influence on interlayer spacing of modified bentonites. ► The intercalation increases with molecule length. ► The modified bentonites have an appreciably higher thermal stability.

  12. 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.

  13. Bis(L-cysteinato)gold(I): chemical characterization and identification in renal cortical cytoplasm.

    Science.gov (United States)

    Shaw, C F; Schmitz, G; Thompson, H O; Witkiewicz, P

    1979-07-01

    L-Cysteinatogold(I) was prepared by the reaction of L-cysteine with KAuBr4 in acidic media and its solubility determined from pH 4 to 10. The solubility at pH 7.4 and 37 degrees C is 1 microM. In the presence of excess cysteine, the solubility increases because of formation of bis(L-cysteinato)gold(I). The equilibrium-constant for formation of the bis complex is 2.1 +/- 0.4 X 10(-3), which at pH 7.4 CORRESPONDs to an apparant formation constant of 4.4 X10(4). The formation of the bis adduct was confirmed by chromatographic separation of the products of the reaction between [35S]-L-cysteine and Na2AuTM. This complex elutes with Kav = 1.15 which allows it to be distinguished from other gold thiolates that might form in vivo. The bis(cysteinato)gold(I) complex is shown to be present in kidney cytosol isolated from rats given Na2AuTM in vivo. When additional cysteine is added to the cytosol in vitro, the peak at 1.15 is increased, but if glutathione is added, the low molecular weight gold elutes at Kav = 1.00, which is taken as evidence for the existence of bis(cysteinato)gold(I) in the cytosol preparation. The amount of gold present as bis(cysteinato)gold(I) after 4 different dose schedules has been measured and found to increase with the total cytosol gold concentration. L-Cysteinatogold(I) does not dissolve in the presence of bovine serum albumin to form an adduct.

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

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    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.

  15. 边臂修饰的水杨醛缩邻氨基酚Schiff碱及其正丁基锡(IV)配合物的微波辅助合成、晶体结构及荧光性质研究%Microwave-Assisted Synthesis, Characterization and Fluorescence Properties of the Salicylaldehyde-o-aminophenol Schiff Base with Appended Donor Functionality and Their n-Butyltin(IV) Complexes

    Institute of Scientific and Technical Information of China (English)

    蒋伍玖; 邝代治; 冯泳兰; 庾江喜; 张复兴; 朱小明

    2014-01-01

    A series of the salicylaldehyde-o-aminophenol Schiff base with appended donor functionality and their n-butyltin(IV) complexes have been synthesized and characterized by 1H NMR and 13C NMR, IR, UV-vis, elemental analysis and single-crystal X-ray study. The fluorescence spectra of ligands and complexes have been tested, and the fluorescent light-emitting mechanism has been preliminary studied.%通过微波辅助方法合成了系列的边臂修饰的水杨醛缩邻氨基酚 Schiff 碱及其正丁基锡(IV)配合物,并通过1H NMR,13C NMR, IR, UV-vis,元素分析和X射线单晶衍射表征了化合物的结构;测试了配体及配合物的荧光性能,探讨了配合物的荧光发光机理。

  16. 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.

  17. The BIS and the Latin American debt crisis of the 1980s

    OpenAIRE

    Clement, Piet; Maes, Ivo

    2013-01-01

    The Latin American debt crisis, which broke out in August 1982, was the first global financial crisis in the postwar period. While the crisis started in the "periphery", it constituted a threat to the "core" of the world economy, as the banking system was under severe pressure. Alongside the IMF, the BIS played an important role in coordinating the international response to the crisis. Moreover, a lot of work at the BIS in the second half of the 1970s had aimed at restraining the debt build-u...

  18. 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...

  19. [Synthesis and hypoglycemic activity of bis(L-malato)oxovanadium(IV)].

    Science.gov (United States)

    Gorodetskiĭ, V K; Tochilkin, A I; Beliaeva, N F; Kovel'man, I R; Korovkin, B F

    2011-01-01

    In order to create new oral vanadyl organic complexes-based drugs for the treatment of diabetes mellitus biligand vanadyl derivative of L-malic acid (bis(L-malato)oxovanadium(IV) was prepared and its potential as a novel hypoglycemic agent was studied in the streptozotocin-diabetic rats. We show that the oral administration of bis(L-malato)oxovanadium(IV) with drink water significantly reduced glucose concentration in blood and urine, as well as the level of glycated proteins in the streptozotocin-diabetic rats.

  20. Theoretical and Experimental Study of New Photochromic Bis-Spiropyrans with Hydroxyethyl and Carboxyethyl Substituents

    Directory of Open Access Journals (Sweden)

    E. L. Mukhanov

    2013-01-01

    Full Text Available Two new asymmetrical bis-spiropyrans with nonequivalent spiropyran units have been investigated. Hydroxyethyl and carboxyethyl substituents have been used to improve thermal stability of the photoinduced merocyanine forms of the bis-spiropyrans. 2-Hydroxyethyl substituted compound is characterized by 4 times more stable merocyanine isomer. 2-Carboxyethyl substituent in the hetarene part enables chelation by metal ions and controllably stabilizes the merocyanine from thermal decay. As a result of theoretical modeling and photochemical experiments, it was shown that obtained compounds are perspective prototypes for multistate light-driven switches with improved stability of photoinduced forms.

  1. 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.

  2. Electrochemical synthesis and structural characterization of a novel mixed-valence copper(I)-copper(II) complex: {[bis(ethylenediamine)copper(II)] bis[diiodocuprate(I)]}.

    Science.gov (United States)

    Fotouhi, Lida; Dehghanpour, Saeed; Heravi, Majid M; Ardakani, Mahboobeh Dashti

    2007-07-12

    A novel, mixed-valent copper(I)-copper(II) complex, {[bis(ethylene-diamine)copper(II)] bis[diiodocuprate(I)]} (1), has been prepared by electrochemical dissolution of a sacrificial copper anode in a solution of ethylenediamine (en), I2 and tetraethylammoniumperchlorate (TEAP) as supporting electrolyte in acetonitrile (AcN)and characterized by single-crystal X-ray structure determination. The crystal structure of the complex 1 shows that it consists of a CuI2 polymer formed from I- ligands bridging Cu(I) ions, with a nearly square planar geometry of bivalent Cu(II) atoms chelated by two ethylenediamine ligands. The results also show that direct electrosynthesis of the complex had high current efficiency, purity and electrolysis yield.

  3. Electrochemical Synthesis and Structural Characterization of a Novel Mixed-valence Copper (I-copper (II Complex: {[Bis(ethylenediamine Copper (II] Bis[diiodocuprate (I]}

    Directory of Open Access Journals (Sweden)

    Mahboobeh Dashti Ardakani

    2007-07-01

    Full Text Available A novel, mixed-valent copper(I-copper(II complex, {[bis(ethylene-diaminecopper(II] bis[diiodocuprate(I]} (1, has been prepared by electrochemicaldissolution of a sacrificial copper anode in a solution of ethylenediamine (en, I2 andtetraethylammoniumperchlorate (TEAP as supporting electrolyte in acetonitrile (AcNand characterized by single-crystal X-ray structure determination. The crystal structure ofthe complex 1 shows that it consists of a CuI2 polymer formed from I- ligands bridgingCu(I ions, with a nearly square planar geometry of bivalente Cu(II atoms chelated by twoethylenediamine ligands. The results also show that direct electrosynthesis of the complexhad high current efficiency, purity and electrolysis yield.

  4. Crystal structure of the new hybrid material bis(1,4-diazoniabicyclo[2.2.2]octane di-μ-chlorido-bis[tetrachloridobismuthate(III] dihydrate

    Directory of Open Access Journals (Sweden)

    Marwen Chouri

    2015-11-01

    Full Text Available The title compound bis(1,4-diazoniabicyclo[2.2.2]octane di-μ-chlorido-bis[tetrachloridobismuthate(III] dihydrate, (C6H14N22[Bi2Cl10]·2H2O, was obtained by slow evaporation at room temperature of a hydrochloric aqueous solution (pH = 1 containing bismuth(III nitrate and 1,4-diazabicyclo[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− bioctahedra (site symmetry -1 separated by layers of organic 1,4-diazoniabicyclo[2.2.2]octane dications [(DABCOH22+] and water molecules. O—H...Cl, N—H...O and N—H...Cl hydrogen bonds lead to additional cohesion of the structure.

  5. Structure-activity study for (bis)ureidopropyl- and (bis)thioureidopropyldiamine LSD1 inhibitors with 3-5-3 and 3-6-3 carbon backbone architectures.

    Science.gov (United States)

    Nowotarski, Shannon L; Pachaiyappan, Boobalan; Holshouser, Steven L; Kutz, Craig J; Li, Youxuan; Huang, Yi; Sharma, Shiv K; Casero, Robert A; Woster, Patrick M

    2015-04-01

    Methylation at specific histone lysine residues is a critical post-translational modification that alters chromatin architecture, and dysregulated lysine methylation/demethylation is associated with the silencing of tumor suppressor genes. The enzyme lysine-specific demethylase 1 (LSD1) complexed to specific transcription factors catalyzes the oxidative demethylation of mono- and dimethyllysine 4 of histone H3 (H3K4me and H3K4me2, respectively). We have previously reported potent (bis)urea and (bis)thiourea LSD1 inhibitors that increase cellular levels of H3K4me and H3K4me2, promote the re-expression of silenced tumor suppressor genes and suppress tumor growth in vitro. Here we report the design additional (bis)urea and (bis)thiourea LSD1 inhibitors that feature 3-5-3 or 3-6-3 carbon backbone architectures. Three of these compounds displayed single-digit IC50 values in a recombinant LSD1 assay. In addition, compound 6d exhibited an IC50 of 4.2μM against the Calu-6 human lung adenocarcinoma line, and 4.8μM against the MCF7 breast tumor cell line, in an MTS cell viability assay. Following treatment with 6b-6d, Calu-6 cells exhibited a significant increase in the mRNA expression for the silenced tumor suppressor genes SFRP2, HCAD and p16, and modest increases in GATA4 message. The compounds described in this paper represent the most potent epigenetic modulators in this series, and have potential for use as antitumor agents.

  6. Recent Progress on the Photonic Properties of Conjugated Organometallic Polymers Built Upon the trans-Bis(para-ethynylbenzene)bis(phosphine)platinum(II) Chromophore and Related Derivatives.

    Science.gov (United States)

    Wong, Wai-Yeung; Harvey, Pierre D

    2010-04-20

    This review article surveys the electronic and photophysical properties of conjugated organometallic polymers built upon the title compound and its related derivatives focussing primarily on systems investigated in our laboratories. The general structure of the polymers is (trans-bis(para-ethynylbenzene)bis(phosphine)platinum(II)-G)(n) where G is a conjugated group such as thiophene, fluorene, carbazole, substituted silole, quinone derivative, and metalloporphyrin residue, or a non-conjugated main-group moiety. Systems based on substituted phenylene units and other related fused rings are also discussed. The phosphine ligands are generally triethyl- or tri-n-butylphosphine groups. These trans-platinum(II) polymers and the corresponding model compounds are compared to the corresponding ortho-derivatives in the quinone series, and the newly prepared paracyclophane-containing polymers. For the porphyrin series, a comparison of fully conjugated oligomers exhibiting the general structure (trans-bis(para-ethynyl(zinc(porphyrin)))bis(phosphine)platinum(II))(n) (i.e., the C(6) H(4) group is absent from the main chain) will be made. This contribution also includes a description of the properties of the mononuclear chromophore itself, properties that define those of the polymers. Potential applications with regard to electronic and optical devices will be highlighted. These soluble and stable materials feature both the processing advantages of polymers and the functionality provided by the presence of metal centers. These multifunctional organometallic polyyne polymers exhibit convenient structural variability as well as optical and electronic properties, which renders them important for use in different research domains as chemical sensors and sensor protectors, as converters for light/electricity signals, and as patternable precursors to magnetic metal alloy nanoparticles.

  7. 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.

  8. 40 CFR 721.3152 - Ethanaminium, N-ethyl-2-hydroxy-N,N-bis(2-hydroxyethyl)-, diester with C12-18 fatty acids, ethyl...

    Science.gov (United States)

    2010-07-01

    ...-bis(2-hydroxyethyl)-, diester with C12-18 fatty acids, ethyl sulfates (salts). 721.3152 Section 721... Ethanaminium, N-ethyl-2-hydroxy-N,N-bis(2-hydroxyethyl)-, diester with C12-18 fatty acids, ethyl sulfates... ethanaminium, N-ethyl-2-hydroxy-N,N-bis(2-hydroxyethyl)-, diester with C12-18 fatty acids, ethyl...

  9. A Facile Solvent Free Claisen-Schmidt Reaction: Synthesis of α,α′-bis-(Substituted-benzylidenecycloalkanones and α,α′-bis-(Substituted-alkylidenecycloalkanones

    Directory of Open Access Journals (Sweden)

    Yurngdong Jahng

    2012-01-01

    Full Text Available Solvent-free Claisen-Schmidt reactions of cycloalkanones with various substituted benzaldehydes (aryl aldehydes using solid NaOH (20 mol% and applying a grinding technique were studied. Quantitative yields (96–98% of α,α-bis-(substituted-benzylidenecycloalkanones were obtained. Aliphatic aldehydes also provided α,α-bis-(substituted-alkylidenecycloalkanones in very good yields with minor amounts of a-(substituted-alkylidenecycloalkanones. The catalytic performance of solid NaOH was examined. The molar ratio of NaOH was optimized. The catalytic effect of solid NaOH was also evaluated by comparing it with KOH, NaOAc, and NH4OAc and it turns out that 20 mol% of solid NaOH was good enough to catalyze the Claisen-Schmidt reactions of cycloalkanones with various substituted benzaldehydes. Additionally, the regioselectivity of the Claisen-Schmidt reaction of acetone with benzaldehyde was examined. Using the same method, we could synthesize the corresponding bis-benzylidene- and mono-benzylideneacetone separately in 98% and 96% yields, respectively.

  10. Effective remediation of phenol,2,4-bis(1,1-dimethylethyl) and bis(2-ethylhexyl) phthalate in farm effluent using Guar gum--A plant based biopolymer.

    Science.gov (United States)

    Kee, Yang Ling; Mukherjee, Sumona; Pariatamby, Agamuthu

    2015-10-01

    This study was carried out to evaluate the efficiency of Guar gum in removing Persistent Organic Pollutants (POPs), viz. phenol,2,4-bis(1,1-dimethylethyl) and bis(2-ethylhexyl) phthalate (DEHP), from farm effluent. The removal efficiency was compared with alum. The results indicated that 4.0 mg L(-1) of Guar gum at pH 7 could remove 99.70% and 99.99% of phenol,2,4-bis(1,1-dimethylethyl) and DEHP, respectively. Box Behnken design was used for optimization of the operating parameters for optimal POPs removal. Scanning Electron Microscopy (SEM) and Fourier Transform Infrared (FTIR) spectroscopy studies were conducted on the flocs. SEM micrographs showed numerous void spaces in the flocs produced by Guar gum as opposed to those produced by alum. This indicated why Guar gum was more effective in capturing and removal of suspended particles and POPs as compared to alum. FTIR spectra indicated a shift in the bonding of functional groups in the flocs produced by Guar gum as compared to raw Guar gum powder signifying chemical attachment of the organics present in the effluent to the coagulant resulting in their removal. Guar gum is highly recommended as a substitute to chemical coagulant in treating POPs due to its non-toxic and biodegradable characteristics.

  11. Using bis(pinacolato)diboron to improve the quality of regioregular conjugated co-polymers

    NARCIS (Netherlands)

    Brouwer, Frank; Alma, Jan; Valkenier, Hennie; Voortman, Thomas P.; Hillebrand, Jorrit; Chiechi, Ryan C.; Hummelen, Jan C.

    2011-01-01

    We demonstrate the use of bis(pinacolato)diboron to directly polymerize symmetric, bisbromo, thiophene-based monomers via a Suzuki homo-polymerization to form co-polymers in less steps than the corresponding co-polymerization. We compare this method to the commonly used Stille co-polymerization by p

  12. Predicting internalizing symptoms over a two year period by BIS, FFFS and attentional control

    NARCIS (Netherlands)

    Sportel, B. Esther; Nauta, Maaike H.; de Hullu, Eva; de Jong, Peter J.

    2013-01-01

    Identifying risk factors for the development of internalizing disorders is of major importance. In this context, behavioral inhibition (BIS), the fight-flight-freeze-system (FFFS), and attentional control (AC) have been proposed as being possible risk factors for both anxiety disorders and depressio

  13. Surfactant-assisted synthesis of bis(indolyl)methanes in water

    Institute of Scientific and Technical Information of China (English)

    Eskandar Kolvari; Mohammad Ali Zolfigol; Hoda Banary

    2011-01-01

    An environmentally friendly synthesis method for bis(indolyl)methanes has been developed in the presence of sodium lauryl ether sulfate (SLES), electrophilic substitution reactions of indoles with aldehydes were accomplished in water as solvent at room temperature without any Bronested or Lewis acid catalysts.

  14. 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.

  15. Structural characterization and catalytic properties of bis(1,1,3,3-tetramethylguanidinium) dichromate

    DEFF Research Database (Denmark)

    Due-Hansen, Johannes; Ståhl, Kenny; Boghosian, Soghomon

    2011-01-01

    The structure of bis(1,1,3,3-tetramethylguanidinium) dichromate was determined from powder X-ray diffraction data. The compound crystallizes in the monoclinic system (space group P21/n) with a = 10.79714 (15) Å, b = 11.75844 (16) Å, c = 8.15097 (11) Å, β = 109.5248 (6)º. The structure consists of...

  16. 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)

  17. Electron Microscope Study of the Microstructure of BIS 812 EMA Submarine Steel

    Science.gov (United States)

    1992-12-01

    steels. For BIS 812 EMA it is therefore possible that a small proportion of the vanadium could occur with niobium carbide precipitated in the...Institute, 204, 702-710. Irvine, J. and Baker, T.N. (1979). Effect of rolling deformation on niobium carbide particle size distribution in low carbon

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

    Science.gov (United States)

    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.

  19. 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.

  20. 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.

  1. Synthesis and cation-exchange properties of a bis-zwitterionic lamellar hybrid material

    Energy Technology Data Exchange (ETDEWEB)

    Besson, E. [ICSM Marcoule, UMR 5257, F-30207 Bagnols Sur Ceze, (France); Mehdi, A.; Reye, C.; Corriu, Robert J. P. [Univ Montpellier 2, Inst Charles Gerhardt Montpellier, CNRS-UM2-ENSCM-UM1, UMR 5253, Chim Mol et Org Sol, F-34095 Montpellier 5, (France); Chollet, H. [CEA Valduc, Dept Traitement Mat Nucl, F-21120 Is Sur Tille, (France); Guilard, R. [ICMUB, CNRS, UMR 5260, F-21078 Dijon, (France)

    2008-07-01

    The synthesis of a bis-zwitterionic lamellar hybrid material containing ammonium carboxylate groups is described. Cation-exchange properties of this material towards transition metal and lanthanide ions were studied as well as the regeneration and reuse of the material. (authors)

  2. 40 CFR 721.1850 - Toluene sulfonamide bis-phe-nol A epoxy adduct.

    Science.gov (United States)

    2010-07-01

    ... epoxy adduct. 721.1850 Section 721.1850 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.1850 Toluene sulfonamide bis-phe-nol A epoxy adduct. (a) Chemical... as toluene sulfonamide bisphenol A epoxy adduct (PMN P-90-113) is subject to reporting under...

  3. Hybrid Intelligent System to Perform Fault Detection on BIS Sensor During Surgeries

    Science.gov (United States)

    Casteleiro-Roca, José-Luis; Calvo-Rolle, José Luis; Méndez Pérez, Juan Albino; Roqueñí Gutiérrez, Nieves; de Cos Juez, Francisco Javier

    2017-01-01

    This paper presents a new fault detection system in hypnotic sensors used for general anesthesia during surgery. Drug infusion during surgery is based on information received from patient monitoring devices; accordingly, faults in sensor devices can put patient safety at risk. Our research offers a solution to cope with these undesirable scenarios. We focus on the anesthesia process using intravenous propofol as the hypnotic drug and employing a Bispectral Index (BISTM) monitor to estimate the patient’s unconsciousness level. The method developed identifies BIS episodes affected by disturbances during surgery with null clinical value. Thus, the clinician—or the automatic controller—will not take those measures into account to calculate the drug dose. Our method compares the measured BIS signal with expected behavior predicted by the propofol dose provider and the electromyogram (EMG) signal. For the prediction of the BIS signal, a model based on a hybrid intelligent system architecture has been created. The model uses clustering combined with regression techniques. To validate its accuracy, a dataset taken during surgeries with general anesthesia was used. The proposed fault detection method for BIS sensor measures has also been verified using data from real cases. The obtained results prove the method’s effectiveness. PMID:28106793

  4. 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...

  5. Mukaiyama Aldol Reaction of 1, 2-Bis(trimethylsiloxy) Cyclobutene Catalyzed by Magnesium(II) Iodide

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    Efficient Mukaiyama-type aldol reaction of 1, 2-bis(trimethylsiloxy)cyclobutene with aromatic aldehydes catalyzed by MgI2 is reported. The resulting succinoylation product of aldehyde was converted into the synthetic useful γ-lactone and butenolide derivatives.

  6. Preparation of tritium labelled synthanecine A and its bis-N-ethylcarbamate

    Energy Technology Data Exchange (ETDEWEB)

    Mattocks, A.R. (Medical Research Council, Carshalton (UK))

    1982-04-01

    A procedure is described for incorporating tritium into the 3-CH/sub 2/ side chain of synthanecine A, and preparing the carbamate, 2,3-bis-N-ethylcarbamoyloxymethyl-1-methyl-3-pyrroline, a hepatotoxic pyrrolizidine alkaloid analogue. The pyrrolizidine amino alcohol, retronecine, can be tritium labelled in a similar way.

  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. 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 ...

  10. 77 FR 66951 - Proposed Information Collection; Comment Request; BIS Program Evaluation

    Science.gov (United States)

    2012-11-08

    ... Bureau of Industry and Security Proposed Information Collection; Comment Request; BIS Program Evaluation... information collections, as required by the Paperwork Reduction Act of 1995. DATES: Written comments must be...., Washington, DC 20230 (or via the Internet at JJessup@doc.gov ). FOR FURTHER INFORMATION CONTACT: Requests...

  11. Porphyrin amino acids-amide coupling, redox and photophysical properties of bis(porphyrin) amides.

    Science.gov (United States)

    Melomedov, Jascha; Wünsche von Leupoldt, Anica; Meister, Michael; Laquai, Frédéric; Heinze, Katja

    2013-07-14

    New trans-AB2C meso-substituted porphyrin amino acid esters with meso-substituents of tunable electron withdrawing power (B = mesityl, 4-C6H4F, 4-C6H4CF3, C6F5) were prepared as free amines 3a-3d, as N-acetylated derivatives Ac-3a-Ac-3d and corresponding zinc(II) complexes Zn-Ac-3a-Zn-Ac-3d. Several amide-linked bis(porphyrins) with a tunable electron density at each porphyrin site were obtained from the amino porphyrin precursors by condensation reactions (4a-4d) and mono- and bis(zinc(II)) complexes Zn(2)-4d and Zn(1)Zn(2)-4d were prepared. The electronic interaction between individual porphyrin units in bis(porphyrins) 4 is probed by electrochemical experiments (CV, EPR), electronic absorption spectroscopy, steady-state and time-resolved fluorescence spectroscopy in combination with DFT/PCM calculations on diamagnetic neutral bis(porphyrins) 4 and on respective charged mixed-valent radicals 4(+/-). The interaction via the -C6H4-NHCO-C6H4- bridge, the site of oxidation and reduction and the lowest excited singlet state S1, is tuned by the substituents on the individual porphyrins and the metalation state.

  12. 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...

  13. 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.

  14. Diversity of RuBisCO and ATP citrate lyase genes in soda lake sediments

    NARCIS (Netherlands)

    Kovaleva, O.L.; Tourova, T.P.; Muyzer, G.; Kolganova, T.V.; Sorokin, D.Y.

    2011-01-01

    Sediments from six soda lakes of the Kulunda Steppe (Altai, Russia) and from hypersaline alkaline lakes of Wadi Natrun (Egypt) were analyzed for the presence of cbb and aclB genes encoding key enzymes Ci assimilation (RuBisCO in Calvin-Benson and ATP citrate lyase in rTCA cycles, respectively). The

  15. Synthesis and Crystal Structure of Salicylaldehyde-2,4-dinitrophenylhydrazone

    Institute of Scientific and Technical Information of China (English)

    SHAN,Shang; FAN,Zheng; YANG,Zhen-Ping; QIANG,Gen-Rong; WANG,Hai-Bin

    2004-01-01

    @@ Some phenylhydrazone derivatives have been shown to be potentially DNA-damaging and mutagenic agents.[1] In order to investigate the relationship of the biological activity and the molecular structure, a series of new phenylhydrazone derivatives have been synthesized and their structures have been determined in our laboratory.

  16. 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.

  17. Psychometric Properties of the BIS/BAS Scales and the SPSRQ in Flemish Adolescents

    Directory of Open Access Journals (Sweden)

    Laura Vandeweghe

    2016-12-01

    Full Text Available Objective: Gray’s Reinforcement Sensitivity Theory (RST is a frequently used model of personality that is relevant to the period of adolescence. However, the psychometric properties of the most frequently used questionnaires to measure the RST-constructs, namely the Behavioural Inhibition System and Behavioural Activation System Scales (BIS/BAS Scales and the Sensitivity to Punishment and Sensitivity to Reward Questionnaire (SPSRQ, are rarely examined in samples of adolescents. Therefore, the goal of the present study was to examine the two-factor structure, reliability and convergent validity of the BIS/BAS Scales and SPSRQ in a Flemish adolescent community sample.  Method: A sample of 579 adolescents (39.5% boys; 14–19 years was recruited. The proposed two-factor structure was assessed using Exploratory Structural Equation Modeling. Reliability was evaluated using internal consistency and construct validity was examined with the correlations between the two questionnaires and with the Temperament and Character Inventory–short form (TCI-SF.  Results: After the removal of problematic items, and the addition of correlated errors, all indices indicated a good fit for the two-factor structure of the modified BIS/BAS Scales. For the modified SPSRQ, three fit indices indicated a good model fit, while a fourth fit index was slightly below the cut-off score of an adequate model fit. Internal consistency of both questionnaires was sufficient. In general, the associations with scales of the TCI-SF were as expected, with positive correlations between BIS-related scales, and between BAS-related scales of all three instruments.  Discussion: In Flemish adolescents, the use of a two-factor model to analyze data gathered with the modified BIS/BAS Scales or modified SPSRQ seems appropriate.

  18. Poly[bis[μ2-1,4-bis(1,2,4-triazol-1-ylmethylbenzene-κ2N4:N4′]bis(nitrito-κOcobalt(II

    Directory of Open Access Journals (Sweden)

    Xia Zhu

    2010-01-01

    Full Text Available The CoII atom in the title complex, [Co(NO22(C12H12N62]n, lies on an inversion center and is coordinated by four N atoms from the triazole rings of two symmetry-related pairs of 1,4-bis(1,2,4-triazol-1-ylmethylbenzene (bbtz ligands and two O atoms from two symmetry-related monodentate nitrate ligands in a distorted octahedral geometry. The Co atoms are bridged by four bbtz ligands, forming a two-dimensional (4,4 network parallel to (102.

  19. 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.

  20. 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

    2016-06-29

    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.

  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. Behavioural Inhibition System (BIS) sensitivity differentiates EEG theta responses during goal conflict in a continuous monitoring task.

    Science.gov (United States)

    Moore, Roger A; Mills, Matthew; Marshman, Paul; Corr, Philip J

    2012-08-01

    Previous research has revealed that EEG theta oscillations are affected during goal conflict processing. This is consistent with the behavioural inhibition system (BIS) theory of anxiety (Gray & McNaughton, 2000). However, studies have not attempted to relate these BIS-related theta effects to BIS personality measures. Confirmation of such an association would provide further support for BIS theory, especially as it relates to trait differences. EEG was measured (32 electrodes) from extreme groups (low/high trait BIS) engaged in a target detection task. Goal conflicts were introduced throughout the task. Results show that the two groups did not differ in behavioural performance. The major EEG result was that a stepwise discriminant analysis indicated discrimination by 6 variables derived from coherence and power, with 5 of the 6 in the theta range as predicted by BIS theory and one in the beta range. Also, across the whole sample, EEG theta coherence increased at a variety of regions during primary goal conflict and showed a general increase during response execution; EEG theta power, in contrast, was primarily reactive to response execution. This is the first study to reveal a three-way relationship between the induction of goal conflict, the induction of theta power and coherence, and differentiation by psychometrically-defined low/high BIS status.

  3. Design and synthesis of novel adenine fluorescence probe based on Eu(III) complexes with dtpa-bis(guanine) ligand.

    Science.gov (United States)

    Tian, Fengyun; Jiang, Xiaoqing; Dou, Xuekai; Wu, Qiong; Wang, Jun; Song, Youtao

    2017-02-24

    A novel adenine (Ad) fluorescence probe (Eu(III)-dtpa-bis(guanine)) was designed and synthesized by improving experimental method based on the Eu(III) complex and dtpa-bis(guanine) ligand. The dtpa-bis(guanine) ligand was first synthesized by the acylation action between dtpaa and guanine (Gu), and the corresponding Eu(III) complex was successfully prepared through heat-refluxing method with dtpa-bis(guanine) ligand. As a novel fluorescence probe, the Eu(III)-dtpa-bis(guanine) complex can detect adenine (Ad) with characteristics of strong targeting, high specificity and high recognition ability. The detection mechanism of the adenine (Ad) using this probe in buffer solution was studied by ultraviolet-visible (UV-vis) and fluorescence spectroscopy. When the Eu(III)-dtpa-bis(guanine) was introduced to the adenine (Ad) solution, the fluorescence emission intensity was significantly enhanced. However, adding other bases such as guanine (Gu), xanthine (Xa), hypoxanthine (Hy) and uric acid (Ur) with similar composition and structure to that of adenine (Ad) to the Eu(III)-dtpa-bis(guanine) solution, the fluorescence emission intensities are nearly invariable. Meanwhile, the interference of guanine (Gu), xanthine (Xa), hypoxanthine (Hy) and uric acid (Ur) on the detection of the adenine using Eu(III)-dtpa-bis(guanine) probe was also studied. It was found that presence of these bases does not affect the detection of adenine (Ad). A linear response of fluorescence emission intensities of Eu(III)-dtpa-bis(guanine) at 570nm as a function of adenine (Ad) concentration in the range of 0.00-5.00×10(-5)molL(-1) was observed. The detection limit is about 4.70×10(-7)molL(-1).

  4. Photophysical properties of endohedral amine-functionalized bis(phosphine) Pt(II) complexes as models for emissive metallacycles.

    Science.gov (United States)

    Pollock, J Bryant; Cook, Timothy R; Schneider, Gregory L; Lutterman, Daniel A; Davies, Andrew S; Stang, Peter J

    2013-08-19

    The photophysical properties of bis(phosphine) Pt(II) complexes constructed from 2,6-bis(pyrid-3-ylethynyl) aniline and 2,6-bis(pyrid-4-ylethynyl) aniline vary significantly, even though the complexes differ only in the position of the coordinating nitrogen. By capping the ligands with an aryl bis(phosphine) Pt(II) metal acceptor, the photophysical properties of the two isomeric systems were directly compared, revealing that the low-energy absorption and emission bands of the two systems were separated by 30 nm (1804 cm(-1)) and 39 nm (1692 cm(-1)), respectively. From the analysis of time-dependent density functional (TD-DFT) calculations and excited-state lifetime measurements, it was determined that the nature of the Pt-N bond in the HOMO and the sums of the radiative (k(rad)) and nonradiative (k(nr)) rate constants were significantly different in the two systems. As the dominant nonradiative decay pathway in aniline systems is relaxation from the triplet state through intersystem crossing (ISC), the difference in k(nr) can be ascribed to changes in ISC between isomers of the bis(phosphine) Pt(II)-capped 2,6-bis(pyrid-3-ylethynyl) aniline system. It was also determined that the photophysical properties of these capped systems can be altered by functionalizing the aryl capping ligand on the bis(phosphine) Pt(II) metal center, which perturbs the molecular orbitals involved in the observed optical transitions. In addition, an isoelectronic bis(phosphine) Pd(II)-capped system was prepared for comparison with the bis(phosphine) Pt(II) suite of complexes. The Pd(II) system showed significant changes in its low-energy absorption band, but preserved the characteristic emissive properties of its Pt(II) analogue with an even higher quantum yield.

  5. 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

  6. 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

  7. (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.

  8. Optical and magneto-optical properties of spin coated films of novel trinuclear bis(oxamato) and bis(oxamidato) type complexes

    Science.gov (United States)

    Abdulmalic, Mohammad A.; Fronk, Michael; Bräuer, Björn; Zahn, Dietrich R. T.; Salvan, Georgeta; Eya‧ane Meva, Francois; Rüffer, Tobias

    2016-12-01

    This work reports the first example of the spectroscopic measurements of the Magneto-Optical Kerr Effect (MOKE) of films being composed of trinuclear transition metal complexes on a non-transparent substrate at room temperature. The thin films of the tailor-made trinuclear bis(oxamidato) type complex 5 ([Cu3(opbonPr2)(tmcd)2(NO3)2], opbonPr2 = o-phenylenebis(N'-npropyloxamido, tmcd=trans-(1 R,2 R)-N,N,N‧,N‧-tetramethyl-cyclohexanediamine) and of the bis(oxamato) type complexes 11 ([Cu2Ni(opbaCF3)(pmdta)2(NO3)2], opbaCF3 = 4-trifluoromethyl-o-phenylenebis(oxamato), pmdta = N,N,N,‧N″,N″-pentamethyldiethylenetriamine) and 12 ([Cu3(opba)(bppe)2(NO3)2] (opba = o-phenylenebis(oxamato), bppe = S-N,N-bis(2-picolyl)-1-phenylethylamine) were fabricated by spin-coating and their thicknesses in the range between 0.5 μm and 2 μm was determined by spectroscopic ellipsometry. Based on the spectroscopic ellipsometry results it was also possible to determine the optical constants of the film and compare them with the absorption of the complexes in solution in order to confirm the complex integrity after the film deposition. The fabrication of high-quality films which exhibit Kerr rotation up to 0.2 mrad (11.5 mdeg) was only possible due to tailor-made synthesis, which allows circumventing intermolecular interactions of the trinuclear complexes during the film formation.

  9. 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.

  10. 40 CFR 721.9790 - Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxypropyl) amino]- 6-[(3...

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Benzenesulfonic acid, 2,2â²-(1,2-ethenediyl)bis - 6- -1,3,5-triazin-2-yl]amino]-, disodium salt, compd. with 2,2â²,2â³-nitrilo-tris (1:2); Benzenesulfonic acid, 5- -6- -1,3,5-triazin-2-yl]amino]-2- -6- -1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-, disodium salt, compd....

  11. Copper-Catalyzed Three- Five- or Seven-Component Coupling Reactions: The Selective Synthesis of Cyanomethylamines, N,N-Bis(CyanomethylAmines and N,N'-Bis(CyanomethylMethylenediamines Based on a Strecker-Type Synthesis

    Directory of Open Access Journals (Sweden)

    Takeo Konakahara

    2013-10-01

    Full Text Available We have demonstrated that a cooperative catalytic system comprised of CuCl and Cu(OTf2 could be used to effectively catalyse the three-, five- and seven-component coupling reactions of aliphatic or aromatic amines, formaldehyde, and trimethylsilyl cyanide (TMSCN, and selectively produce in good yields the corresponding cyanomethylamines, N,N-bis(cyanomethylamines and N,N'-bis(cyanomethylmethylenediamines.

  12. 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.

  13. [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

  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. 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.

  16. 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)

  17. An efficient method for the synthesis of dialkyl chlorophosphates from trialkyl phosphites using bis(trichloromethyl) carbonate

    Institute of Scientific and Technical Information of China (English)

    Bo Wang; Chuan Ming Yu; Zhi Wei Chen; Wei Ke Su

    2008-01-01

    A mild and simple method for the synthesis of dialkyl clalorophosphates is described, bis(trichloromethyl) carbonate (BTC) is used as the effective reagent for the conversion of dialkyl phosphites to their corresponding dialkyl chlorophosphates under mild conditions.

  18. Highly π electron-rich macro-aromatics: bis(p-aminophenyl)-carbo-benzenes and their DBA acyclic references.

    Science.gov (United States)

    Rives, Arnaud; Baglai, Iaroslav; Malytskyi, Volodymyr; Maraval, Valérie; Saffon-Merceron, Nathalie; Voitenko, Zoia; Chauvin, Remi

    2012-09-11

    A series of stable quadrupolar bis(p-aminophenyl)-carbo-benzenes, featuring both donor-donor-donor π-frustration and central macro-aromaticity, is described and compared to the acyclic dibutatrienylacetylene (DBA) reference series.

  19. Synthesis of alkyl bis(dimethylamino)methylenecarbamodithioates from 1,1,3,3-tetramethylguanidine, CS2 and oxiranes

    Institute of Scientific and Technical Information of China (English)

    Sima Yavari; Samira Nasiri-Gheidari; Avat (Arman) Taherpour; Issa Yavari

    2012-01-01

    An efficient synthesis of alkyl bis(dimethylamino)methylenecarbamodithioates via a one-pot reaction between 1,1,3,3-tetramethylguanidine,carbon disulfide and substituted oxiranes,in good yields,is described.

  20. Structure and reactivity of a unique Y-shaped tricoordinate bis(silyl)platinum(II)-NHC complex

    NARCIS (Netherlands)

    Berthon-Gelloz, G.; de Bruin, B.; Tinant, B.; Markó, I.E.

    2009-01-01

    A unique, three-coordinate Y-shaped bis(silyl)platinum(II) complex was isolated and characterized. DFT studies on a model system shed light on the nature of this unusual coordination mode for platinum(II).

  1. Introduction effects of three electron-withdrawing groups into bis-styrylbenzene skeleton on photoelectric and photophysical properties

    Science.gov (United States)

    Mochizuki, Hiroyuki

    2017-02-01

    I synthesized three bis-styrylbenzene derivatives substituted with typical electron-withdrawing groups: E,E-1,4-bis(4-trifluoromethystyryl)benzene (CF3), E,E-1,4-bis(4-cyanostyryl)benzene (CN), and E,E-1,4-bis(4-nitrostyryl)benzene (NO2). The photophysical and photoelectrical properties of these compounds were evaluated in detail. In free molecules in the solution, the intramolecular charge transfer interaction appeared in NO2. In the solid state of CN, the intermolecular charge transfer interaction was observed in its fluorescence spectrum. On the other hand, CF3 did not show intra- and intermolecular charge transfer interactions in either the solid or solution state. The ionization potentials of CF3, CN, and NO2 were -6.52, -6.09, and -6.38 eV, respectively, suggesting that the trifluoromethyl group was most effective for decreasing ionization potentials.

  2. 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.

  3. An efficient synthesis of novel bis-triazole glycoconjugates via a three-component condensation as a key reaction.

    Science.gov (United States)

    Cheng, Jie; Gu, Zhenlong; He, Caiyu; Jin, Jie; Wang, Lijun; Li, Guojun; Sun, Bei; Wang, Hui; Bai, Jun

    2015-09-23

    Novel bis-triazole glycoconjugates were designed and prepared successfully via 5 steps from propargyl per-O-acetyl-β-d-glucoside or xyloside (total yield of 48-53%), after utilizing a three-component condensation of propargyl per-O-acetyl-β-d-glycoside, formaldehyde, and sodium azide as a key step to synthesize 2-hydroxymethyl-2H-1,2,3-triazole glycoconjugates. The developed bis-triazole glycoconjugates would be crucial in antivirus pharmacology and chemical biology.

  4. A Facile Aqueous Synthesis of Bis(indol-3-yl)alkanes Cata-lyzed by Dodecylbenzenesulfonic Acid

    Institute of Scientific and Technical Information of China (English)

    PENG,Yi-Yuan; ZHANG,Qiu-Lan; YUAN,Jian-Jun; CHENG,Jin-Pei

    2008-01-01

    An environmentally friendly synthetic method for bis(indol-3-yl)alkane derivatives has been developed. In the presence of 10 mol% of dodecylbenzenesulfonic acid (DBSA), electrophilic substitution reaction of indoles with aldehydes or ketones proceeded smoothly in water, giving rise to the corresponding bis(indol-3-yl)alkanes in good to excellent yields. The use of inexpensive and easily available catalyst, mild reaction conditions and simple work-up procedure made this protocol practical and economically attractive.

  5. 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.

  6. 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.

  7. Thermal properties of alkyl-substituted 3,3'-bis(dipyrrolylmethene) dihydrobromides

    Energy Technology Data Exchange (ETDEWEB)

    Guseva, G.B., E-mail: gbg@isc-ras.ru [Institute of Solution Chemistry, Russian Academy of Sciences, 1 Akademicheskaya Street, 153045 Ivanovo (Russian Federation); Dudina, N.A.; Vyugin, E.V. Antina A.I.; Berezin, M.B.; Yutanova, S.L. [Institute of Solution Chemistry, Russian Academy of Sciences, 1 Akademicheskaya Street, 153045 Ivanovo (Russian Federation)

    2011-08-20

    Highlights: {yields} The thermodestruction of 3,3'-bis(dipyrromethene) dihydrobromides was performed. {yields} The dissociation stage of the salts with removal of HBr molecules are not observed. {yields} An increase of alkylation causes an increase of the salts thermal stability. {yields} The thermal stability a increase in argon as compared with air. - Abstract: 3,3'-Bis(dipyrrolylmethene) dihydrobromides (H{sub 2}L.2HBr) with various types of alkylation have been synthesized. The compounds were characterized by recording of their proton NMR-, IR- and electronic absorption spectra. The thermal destruction of the compounds was studied thermogravimetrically. An increase in the degree of alkylation causes an increase of the salts thermal stability in air and argon.

  8. Electronic Spectrum of different Bis-Schiff bases of Isatin and its Solvatochromism

    Directory of Open Access Journals (Sweden)

    *M. A. K. Tanoli

    2014-09-01

    Full Text Available The influence of a series of organic solvents on the UV spectra on some selected bis-Schiff base derivatives has been studied in a number of organic solvents with diverse polarities. As a part of our efforts to interpret the effects of solvent polarity and hydrogen bonding on the absorption spectra of previously synthesized bis-Schiff base derivatives, the study design was based on the linear solvation energy relationship (LSER concept using Kamlet-Taft solvatochromic parameters: π*, α and β. Correlation of spectroscopic data was carried out by means of multiple linear regression techniques. The fitting coefficient obtained from this analysis allows estimating the contribution of each type of interactions relative to total spectral shifts in solution. The dependence of (max on the solvent parameters indicated that the obtained bands were affected by specific and non-specific solute-solvent interactions.

  9. Synthesis and Crystal Structure of the Intermediate Bis-9-fluorenylmethylphenyl Silane

    Institute of Scientific and Technical Information of China (English)

    罗悔; 马怀柱; 苏庆德; 刘青山

    2003-01-01

    The title compound bis-9-fluorenylmethylphenyl silane (C33H26Si, Mr = 450.63) was synthesized and its structure has been synthesized and determined by X-ray analysis. The crystal is of triclinic, space group Pī with a = 9.478(1), b = 10.0956(1), c = 13.0243(2)(A°),α= 92.668(2),β= 90.809(2),γ= 99.348(2)°,λ= 0.71073(A°),μ(MoKα)= 0.115 mm-1, V = 1288.1(2)(A°)3, Z = 2, Dc = 1.219 g/cm3 and F(000) = 476. The structure was refined to R = 0.0437 and wR(F2) = 0.0963 for 3346 observed reflections with I>2σ(I). X-ray diffraction analysis reveals that the title compound is bis-9-fluorenylmethylphenyl silane.

  10. Stereochemistry and spectroscopic analysis of bis-Betti base derivatives of 2,3-dihydroxynaphthalene.

    Science.gov (United States)

    Zamani, Mehdi; Shafiee, Mehdi; Keshavarz, Mohammad Hossein

    2016-04-01

    Density functional theory (DFT) was used to study the stereochemistry, thermodynamic stability, and spectra of recently synthesized bis-Betti base derivatives of 2,3-dihydroxynaphthalene obtained through multicomponent reactions of 2,3-dihydroxynaphthalene with aminoisoxazole and benzaldehyde derivatives. The stereochemistry of the products was investigated by theoretically calculating the infrared (IR) and proton nuclear magnetic resonance ((1)H NMR) spectra of the diastereomers and comparing them to the corresponding experimental data. The thermochemical properties of the reactions, including the enthalpy, internal energy, entropy, and Gibbs free energy, were also calculated. The diastereoselectivity of the reactions was estimated from the equilibrium distribution of diastereomers. According to the results, the synthesis of bis-Betti bases is exothermic and accompanied by a decrease in entropy. The energy difference between the diastereomers is quite small, but the Gibbs free energy change for the equilibrium syn anti favors the anti over syn configuration. These results are in good agreement with experimental observations.

  11. Synthesis of platinum and palladium complexes with bis-(hydroxy imines

    Directory of Open Access Journals (Sweden)

    Lucas M. Arantes

    2012-06-01

    Full Text Available The Schiff bases are an important class of compounds well used as ligands in coordination chemistry. The functionalized bis-imines, that represent a specific group of Schiff base, have been studied in our research group both for the evaluation of biological activity, against fungi and cancer, as for organocatalyst. Here the bis-imines 1 and 4 were synthesized in good yields by condensation of hydroxylated benzaldehydes with phenylenediamines. After that they were matched with Platinum and palladium salts providing three metallic complex (2, 3 and 5 that were fully characterized by nuclear magnetic resonance and mass spectrometry with electrospray ionization. Now these complexes are being tested in cross-coupling reactions of Heck and Suzuki.

  12. 1,2-Bis(imino)acenaphthene complexes of molybdenum and nickel.

    Science.gov (United States)

    Fedushkin, Igor L; Skatova, Alexandra A; Lukoyanov, Anton N; Khvoinova, Nalalie M; Piskunov, Alexander V; Nikipelov, Alexander S; Fukin, Georgy K; Lysenko, Konstantin A; Irran, Elisabeth; Schumann, Herbert

    2009-06-28

    Molybdenum hexacarbonyl reacts with 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene (, dpp-BIAN) and 1,2-bis[(trimethylsilyl)imino]acenaphthene (, tms-BIAN) in toluene to produce (dpp-BIAN)Mo(CO)(4) () and (tms-BIAN)Mo(CO)(4) (), respectively. The reaction of [CpNi(CO)](2) with yields (dpp-BIAN)NiCp (). Metathesis between Li(2)(tms-BIAN) and NiCl(2)(dppe) affords the Ni(0) complex (tms-BIAN)Ni(dppe) (). The diamagnetic compounds , and have been characterized by (1)H, (29)Si and (31)P NMR spectroscopy, IR spectroscopy and elemental analysis. The ESR spectrum of the paramagnetic compound indicates the presence of Ni(i) coordinated by Cp and a neutral dpp-BIAN ligand. The molecular structures of have been determined by single-crystal X-ray analysis.

  13. 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.

  14. 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.

  15. 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)

  16. Role of valence changes and nanoscale atomic displacements in BiS2-based superconductors.

    Science.gov (United States)

    Cheng, Jie; Zhai, Huifei; Wang, Yu; Xu, Wei; Liu, Shengli; Cao, Guanghan

    2016-11-22

    Superconductivity within layered crystal structures has attracted sustained interest among condensed matter community, primarily due to their exotic superconducting properties. EuBiS2F is a newly discovered member in the BiS2-based superconducting family, which shows superconductivity at 0.3 K without extrinsic doping. With 50 at.% Ce substitution for Eu, superconductivity is enhanced with Tc increased up to 2.2 K. However, the mechanisms for the Tc enhancement have not yet been elucidated. In this study, the Ce-doping effect on the self-electron-doped superconductor EuBiS2F was investigated by X-ray absorption spectroscopy (XAS). We have established a relationship between Ce-doping and the Tc enhancement in terms of Eu valence changes and nanoscale atomic displacements. The new finding sheds light on the interplay among superconductivity, charge and local structure in BiS2-based superconductors.

  17. Role of valence changes and nanoscale atomic displacements in BiS2-based superconductors

    Science.gov (United States)

    Cheng, Jie; Zhai, Huifei; Wang, Yu; Xu, Wei; Liu, Shengli; Cao, Guanghan

    2016-11-01

    Superconductivity within layered crystal structures has attracted sustained interest among condensed matter community, primarily due to their exotic superconducting properties. EuBiS2F is a newly discovered member in the BiS2-based superconducting family, which shows superconductivity at 0.3 K without extrinsic doping. With 50 at.% Ce substitution for Eu, superconductivity is enhanced with Tc increased up to 2.2 K. However, the mechanisms for the Tc enhancement have not yet been elucidated. In this study, the Ce-doping effect on the self-electron-doped superconductor EuBiS2F was investigated by X-ray absorption spectroscopy (XAS). We have established a relationship between Ce-doping and the Tc enhancement in terms of Eu valence changes and nanoscale atomic displacements. The new finding sheds light on the interplay among superconductivity, charge and local structure in BiS2-based superconductors.

  18. Tuning the microstructures of decavanadate-based supramolecular hybrids via regularly changing the spacers of bis(triazole) ligands

    Science.gov (United States)

    Wang, Mo; Sun, Wenlong; Pang, Haijun; Ma, Huiyuan; Yu, Jia; Zhang, Zhuanfang; Niu, Ying; Yin, Mingming

    2016-03-01

    With tuning the ligands from bte, btp, btb to bth, four new decavanadate-based metal-organic hybrid compounds, [Zn(bte)(H2O)4][Zn2(bte)(H2O)10](V10O28)·8H2O, [Zn2(btp)4(H2O)6](H2V10O28)·4H2O, [Zn(H2O)6][Zn2(btb)2V10O28(H2O)6]·4H2O, and [Zn2(bth)(H2O)10](H2V10O28)·6H2O (bte=1,2-bis(1,2,4-triazol-1-yl)ethane, btp=1,3-bis(1,2,4-triazol-1-y1)propane, btb=1,4-bis(1,2,4-triazol-1-y1)butane, bth=1,6-bis(1,2,4-triazol-1-y1)hexane), have been synthesized under conventional conditions. The four compounds represent the first examples of decavanadate-based metal-organic hybrids constructed by Zn-bis(triazole) complexes. Their structural analyses show that the four compounds possess different Zn-bis(triazole) structural motifs and various finally structures, which verifies that regular changing the spacers of ligands is an effective strategy to tuning the structures of polyoxometalate-based hybrids. Also, the electrochemical studies show that the compounds have good electrocatalytic activities towards oxidation of nitrite molecules ascribed to V-centers.

  19. 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.

  20. ATOM TRANSFER RADICAL POLYMERIZATION OF 2,5-BIS[(4-HEXYLOXYPHENYL)OXYCARBONYL]STYRENE

    Institute of Scientific and Technical Information of China (English)

    Yi Yi; Xing-he Fan; Yong-feng Zhao; Xiao-fang Chen; Xin-hua Wan; Qi-feng Zhou

    2005-01-01

    A side-on liquid crystalline monomer, 2,5-bis[(4-hexyloxyphenyl)oxycarbonyl]styrene) (HPCS), was successfully polymerized via atom transfer radical polymerization (ATRP). The polymerization was catalyzed by CuBr/PMDETA in chlorobenzene at 90℃ with (1-bromoethyl)benzene as the initiator. The polymers have narrow MWD. It is the second example of mesogen-jacketed liquid crystalline polymer (MJLCP) prepared by ATRP.

  1. Growth Inhibitory Activity of a Bis-benzimidazole-Bridged Arene Ruthenium Metalla-Rectangle and Prism.

    Science.gov (United States)

    Vajpayee, Vaishali; Lee, Sun Mi; Park, Joeng Woo; Dubey, Abhishek; Kim, Hyunuk; Cook, Timothy R; Stang, Peter J; Chi, Ki-Whan

    2013-03-25

    Two new supramolecular coordination complexes (SCCs), were obtained from the self-assembly of a new bis-benzimidazole bridged Ru acceptor, 4, with dipyridyl and tripyridyl donors, respectively. As part of a growing library of anticancer-active Ru-based SCCs, metalla-prism 6 selectively showed high cytotoxicities relative to cisplatin for a series of cancer cell lines, with IC50 values as low as 8.41 μM for MCF7 cells, as determined from MTS assays.

  2. Biocatalysts for cascade reaction: porcine pancreas lipase (PPL)-catalyzed synthesis of bis(indolyl)alkanes.

    Science.gov (United States)

    Xiang, Ziwei; Liu, Zhiqiang; Chen, Xiang; Wu, Qi; Lin, XianFu

    2013-10-01

    A cascade reaction between aldehydes and indole catalyzed by lipase from porcine pancreas Type II (PPL) in solvent mixture at 50 °C was reported for the first time. Some control experiments had been designed to demonstrate that the PPL was responsible for the cascade reaction. After the optimization of the stepwise process, a series of bis(indolyl)alkanes were prepared in moderate to excellent yields under the catalysis of PPL.

  3. Alkyltransferase-mediated toxicity of bis-electrophiles in mammalian cells

    OpenAIRE

    2009-01-01

    The primary function of O6-alkylguanine-DNA alkyltransferase (AGT) is to maintain genomic integrity in the face of damage by both endogenous and exogenous alkylating agents. However, paradoxically, bacterial and mammalian AGTs have been shown to increase cytotoxicity and mutagenicity of dihaloalkanes and other bis-electrophiles when expressed in bacterial cells. We have extended these studies to mammalian cells using CHO cells that lack AGT expression and CHO cells stably transfected with a p...

  4. Normal state electronic properties of LaO1-x Fx BiS2 superconductors

    Science.gov (United States)

    Querales-Flores, J. D.; Ventura, C. I.; Citro, R.; Rodríguez-Núñez, J. J.

    2016-05-01

    A good description of the electronic structure of BiS2-based superconductors is essential to understand their phase diagram, normal state and superconducting properties. To describe the first reports of normal state electronic structure features from angle resolved photoemission spectroscopy (ARPES) in LaO1-x Fx BiS2, we used a minimal microscopic model to study their low energy properties. It includes the two effective tight-binding bands proposed by Usui et al., Phys. Rev. B, 86, 2012, 220501(R), and we added moderate intra- and inter-orbital electron correlations related to Bi-(pY, pX) and S-(pY, pX) orbitals. We calculated the electron Green's functions using their equations of motion, which we decoupled in second-order of perturbations on the correlations. We determined the normal state spectral density function and total density of states for LaO1-x Fx BiS2, focusing on the description of the k-dependence, effect of doping, and the prediction of the temperature dependence of spectral properties. Including moderate electron correlations, improves the description of the few experimental ARPES and soft X-ray photoemission data available for LaO1-x Fx BiS2. Our analytical approximation enabled us to calculate the spectral density around the conduction band minimum at k→0 =(0.45 π , 0.45 π), and to predict the temperature dependence of the spectral properties at different BZ points, which might be verified by temperature-dependent ARPES.

  5. 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.

  6. 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.)

  7. 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.

  8. Novel Bis-Indole Agents Active Against Multidrug-Resistant Acinetobacter baumannii

    Science.gov (United States)

    Jacobs, Michael R.; Bajaksouzian, Saralee; Good, Caryn E.; Butler, Michelle M.; Williams, John D.; Peet, Norton P.; Bowlin, Terry L.; Endimiani, Andrea; Bonomo, Robert A

    2013-01-01

    The in vitro activity of five novel Microbiotix bis-indole agents (MBXs) against 30 multidrug-resistant (MDR) A. baumannii (including 18 resistant to carbapenems) was evaluated. Overall, MIC90s ranged from 1-8 μg/ml, whereas those for imipenem were > 64 μg/ml. MBX 1196 was the most potent (MIC90 1 μg/ml). MBXs are compounds that are highly effective against MDR A. baumannii. PMID:21146724

  9. Comparison of Midazolam and Propofol for BIS-Guided Sedation During Regional Anaesthesia

    OpenAIRE

    Priyanka Khurana; Ankit Agarwal; R. K. Verma; Gupta, P K

    2009-01-01

    Summary Regional anaesthesia has become an important anaesthetic technique. Effective sedation is an essential for regional techniques too. This study compares midazolam and propofol in terms of onset & recovery from sedation, dosage and side effects of both the drugs using Bispectral Index monitoring. Ninety eight patients were randomly divided into two groups,one group recieved midazolam infusion while the other recieved propofol infusion until BIS reached 75. We observed Time to reach desi...

  10. Bis-phosphonium salts of pyridoxine: the relationship between structure and antibacterial activity.

    Science.gov (United States)

    Pugachev, Mikhail V; Shtyrlin, Nikita V; Sapozhnikov, Sergey V; Sysoeva, Lubov P; Iksanova, Alfiya G; Nikitina, Elena V; Musin, Rashid Z; Lodochnikova, Olga A; Berdnikov, Eugeny A; Shtyrlin, Yurii G

    2013-12-01

    A series of 23 novel bis-phosphonium salts based on pyridoxine were synthesized and their antibacterial activities were evaluated in vitro. All compounds were inactive against gram-negative bacteria and exhibited the structure-dependent activity against gram-positive bacteria. The antibacterial activity enhanced with the increase in chain length at acetal carbon atom in the order n-Pr>Et>Me. Further increasing of length and branching of alkyl chain leads to the reduction of antibacterial activity. Replacement of the phenyl substituents at the phosphorus atoms in 5,6-bis(triphenylphosphonio(methyl))-2,2,8-trimethyl-4H-[1,3]-dioxino[4,5-c]pyridine dichloride (compound 1) with n-butyl, m-tolyl or p-tolyl as well as chloride anions in the compound 1 with bromides (compound 14a) increased the activity against Staphylococcus aureus and Staphylococcus epidermidis up to 5 times (MICs=1-1.25 μg/ml). But in practically all cases chemical modifications of compound 1 led to the increase of its toxicity for HEK-293 cells. The only exception is compound 5,6-bis[tributylphosphonio(methyl)]-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine dichloride (10a) which demonstrated lower MIC values against S. aureus and S. epidermidis (1 μg/ml) and lower cytotoxicity on HEK-293 cells (CC(50)=200 μg/ml). Compound 10a had no significant mutagenic and genotoxic effects and was selected for further evaluation. It should be noted that all bis-phosphonium salt based on pyridoxine were much more toxic than vancomycin.

  11. 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.

  12. 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...

  13. 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....

  14. Phenoxide-bridged Zinc(II)-Bis(dipicolylamine) Probes for Molecular Imaging of Cell Death

    OpenAIRE

    Clear, Kasey J.; Harmatys, Kara M.; Rice, Douglas R.; Wolter, William R.; Suckow, Mark A.; Wang, Yuzhen; Rusckowski, Mary; Smith, Bradley D.

    2015-01-01

    Cell death is involved in many pathological conditions, and there is a need for clinical and preclinical imaging agents that can target and report cell death. One of the best known biomarkers of cell death is exposure of the anionic phospholipid phosphatidylserine (PS) on the surface of dead and dying cells. Synthetic zinc(II)-bis(dipicolylamine) (Zn2BDPA) coordination complexes are known to selectively recognize PS-rich membranes and act as cell death molecular imaging agents. However, there...

  15. Preparation and Characterization of Layered Compound Zirconium Bis(monohydrogenphosphate) Intercalated with Rare Earth Complex

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Layered compound zirconium bis(monohydrogenphosphate)(α -ZrP) intercalated with rare earth complex Eu(DBM)3phen was prepared. The pre-intercalation of p-methoxyaniline into α -ZrP makes the interlayer separation large enough to exchange PMA with europium complex, thus, the luminescent assembly was prepared. This was confirmed by X-ray diffraction, UV-visible spectra and elemental analysis. The fluorescence spectra and lifetime of the assembly were also presented.

  16. Bio, Transfair und mehr: Die Kaffeewelt seit den 1950er Jahren bis heute

    OpenAIRE

    2011-01-01

    Der Text wurde – mit kleineren Änderungen – im Anhang der Neuauflage des Buches "Kaffee – Die Biographie eines weltwirtschaftlichen Stoffes" von Heinrich Eduard Jacob (Bd. 2 der WZU-Buchreihe Stoffgeschichten, München, oekom Verlag 2006) abgedruckt. In Ergänzung zu Heinrich Eduard Jacobs Buch wird die Geschichte des Kaffees fortgeführt und die Kaffeewelt bis zur Gegenwart präsentiert.

  17. Synthesis and antiproliferative activity of aromatic and aliphatic bis[aminomethylidene(bisphosphonic)] acids.

    Science.gov (United States)

    Goldeman, Waldemar; Nasulewicz-Goldeman, Anna

    2014-08-01

    A series of aromatic and aliphatic bis[aminomethylidene(bisphosphonic)] acids was synthesized in the reaction of triethylphosphite with isonitriles followed by hydrolysis or dealkylation. The in vitro anti-proliferative effect of all synthesized tetraphosphonic acids against MCF-7 breast cancer cells, J774E macrophages and HL-60 promyelocytic leukemia cells was determined. Three aromatic derivatives (5a, 5f and 5j) showed a similar or higher anti-proliferative activity than zoledronic acid.

  18. Bis(imidazolium) salts derived from amino acids as receptors and transport agents for chloride anions

    NARCIS (Netherlands)

    González-Mendoza, Laura; Altava, Belén; Burguete, M.I.; Escorihuela, Jorge; Hernando, Elsa; Luis, S.V.; Quesada, Roberto; Vicent, Cristian

    2015-01-01

    The binding properties of bis(imidazolium) hosts 1a-c derived from amino acids towards different anions have been studied by 1H NMR titration experiments in 95:05 CD3CN:H2O at 303 K, ESI-MS and theoretical calculations. Among this family, the salt 1c showed a stro

  19. Studies on the extraction of uranium (VI) by bis(hexylsulfinyl)ethane

    Institute of Scientific and Technical Information of China (English)

    YANG Yan-Zhao; ZHANG Qi; ZENG Shan; BAO Li-Ping; SUN Si-Xiu

    2003-01-01

    The extraction of uranium (Ⅵ) by bis(hexylsulfinyl)ethane(BHxSE) in nitric acid aqueous solution hasbeen investigated. The extracted species appeared to be UO2(NO3)2@2BHxSE. Influences of nitric acid concentration,NaNO3 concentration, Na2C2O4 concentration and temperature on the extraction equilibrium were investigated andthe thermodynamic functions of the extraction reaction were obtained.

  20. Crystal Structure of N,N-bis-(3-Carbomethoxy-5-methyl-pyrazol-1-ylmethylaniline

    Directory of Open Access Journals (Sweden)

    Taibi Ben-Hadda

    2002-09-01

    Full Text Available The tripodal ligand N,N-bis-(3-carbomethoxy-5-methylpyrazol-1-ylmethyl aniline (2 has been prepared by the condensation of aniline with two equivalents of N-hydroxymethyl[3-carbomethoxy-5-methyl]pyrazole. The molecule consists of two structurally analogous 3-carbomethoxy-5-methylpyrazol-1-ylmethyl moieties, which adopt a transoidal conformation via a central aniline ring, suggesting that this tripodal ligand is highly flexible and could accommodate many metals by coordination.

  1. Di-aqua-{μ2-N,N'-bis-[(cyclo-hexa-nyl-idene)amino]-oxamide}-bis-(tri-phenyl-phosphane)silver(I) dinitrate.

    Science.gov (United States)

    Nimthong, Ruthairat; Thepsena, Nattakunya; Puetpaiboon, Walailak; Wattanakanjana, Yupa

    2014-02-01

    The dinuclear title compound, [Ag2(C14H22N4O2)(C18H15P)2(H2O)2](NO3)2, lies across an inversion center and consists of two [Ag(H2O)(PPh3)] units bridged by a bis-(cyclo-hexa-none)oxalydihydrazone ligand. The charge-balance is supplied by two nitrate anions. The symmetry-unique Ag(I) ion is in a distorted tetra-hedral geometry coordinated by a P atom from a tri-phenyl-phosphane ligand, an O atom from a water mol-ecule and a bis-(cyclo-hexa-none)oxalydihydrazone ligand bidentate chelating through the O atom and one of N atoms. In the crystal, O-H⋯O and N-H⋯O hydrogen bonds link the components, forming chains along the b-axis direction. These chains are connected through weak C-H⋯O hydrogen bonds, leading to the formation of a two-dimensional supra-molecular network parallel to (001).

  2. 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

  3. 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.

  4. [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.

  5. Highly luminescent bis-diketone lanthanide complexes with triple-stranded dinuclear structure.

    Science.gov (United States)

    Li, Hong-Feng; Yan, Peng-Fei; Chen, Peng; Wang, Yan; Xu, Hui; Li, Guang-Ming

    2012-01-21

    A new bis-β-diketone, 3,3'-bis(4,4,4-trifluoro-1,3-dioxobutyl)biphenyl (BTB), has been designed and prepared for the synthesis of a series of dinuclear lanthanide complexes [Ln(2)(BTB)(3)(C(2)H(5)OH)(2)(H(2)O)(2)] [Ln = Eu (1), Gd (2)], [Ln(2)(BTB)(3)(DME)(2)] [Ln = Nd (3), Yb (4); DME = ethylene glycol dimethyl ether] and [Eu(2)(BTB)(3)(L)(2)] [L = 2,2-bipydine (5); 1,10-phenanthroline (6); 4,7-diphenyl-1,10-phenanthroline (7)]. Complexes 1-7 have been characterized by various spectroscopic techniques and their photophysical properties are investigated. X-ray crystallographical analysis reveals that complexes 1, 3 and 4 adopt triple-stranded dinuclear structures which are formed by three bis-bidentate ligands with two lanthanide ions. The complexes 1 and 3-7 display strong visible red or NIR luminescence upon irradiation at ligand band around 372 nm, depending on the choice of the lanthanide. The solid-state photoluminescence quantum yields and the lifetimes of Eu(3+) complexes are determined and described.

  6. Highly luminescent lanthanide complexes with novel bis-β-diketone ligand: Synthesis, characterization and photoluminescent properties

    Science.gov (United States)

    Li, Hong-Feng; Li, Guang-Ming; Chen, Peng; Sun, Wen-Bin; Yan, Peng-Fei

    2012-11-01

    A biphenyl-linked bis-β-diketone ligand, 3,3'-bis(3-phenyl-3-oxopropanol)biphenyl (BPB) has been prepared for the syntheses of a series of dinuclear lanthanide complexes. The ligand bears two benzoyl β-diketonate sites linked by a 3,3'-biphenyl spacer. Reaction of the doubly negatively charged bis-bidenate ligand with lanthanide ions forms triple-stranded dinuclear complexes Ln2(BPB)3 (Ln = Nd (1), Sm (2), Eu (3), Yb (4) and Gd (5)). Electrospray mass spectrometry is used to identify the formation of the triple-stranded dinuclear complexes 1-5, which have been further characterized by various spectroscopic techniques. The complexes display strong visible and NIR luminescence upon excitation at ligands bands around 360 nm, depending on the choice of the lanthanides, and the emission quantum yields and luminescence lifetimes of 2-3 have been determined. It shows that the biphenyl-linked ligand BPB is a more efficient sensitizer than the monodiketone ligand DBM (dibenzoylmethane), through the comparisons of Ln2(BPB)3 and Ln(DBM)3 on their photoluminescent properties.

  7. Intracellular distribution of fluorescent copper and zinc bis(thiosemicarbazonato) complexes measured with fluorescence lifetime spectroscopy.

    Science.gov (United States)

    Hickey, James L; James, Janine L; Henderson, Clare A; Price, Katherine A; Mot, Alexandra I; Buncic, Gojko; Crouch, Peter J; White, Jonathan M; White, Anthony R; Smith, Trevor A; Donnelly, Paul S

    2015-10-05

    The intracellular distribution of fluorescently labeled copper and zinc bis(thiosemicarbazonato) complexes was investigated in M17 neuroblastoma cells and primary cortical neurons with a view to providing insights into the neuroprotective activity of a copper bis(thiosemicarbazonato) complex known as Cu(II)(atsm). Time-resolved fluorescence measurements allowed the identification of the Cu(II) and Zn(II) complexes as well as the free ligand inside the cells by virtue of the distinct fluorescence lifetime of each species. Confocal fluorescent microscopy of cells treated with the fluorescent copper(II)bis(thiosemicarbazonato) complex revealed significant fluorescence associated with cytoplasmic puncta that were identified to be lysosomes in primary cortical neurons and both lipid droplets and lysosomes in M17 neuroblastoma cells. Fluorescence lifetime imaging microscopy confirmed that the fluorescence signal emanating from the lipid droplets could be attributed to the copper(II) complex but also that some degree of loss of the metal ion led to diffuse cytosolic fluorescence that could be attributed to the metal-free ligand. The accumulation of the copper(II) complex in lipid droplets could be relevant to the neuroprotective activity of Cu(II)(atsm) in models of amyotrophic lateral sclerosis and Parkinson's disease.

  8. Highly luminescent lanthanide complexes with novel bis-β-diketone ligand: synthesis, characterization and photoluminescent properties.

    Science.gov (United States)

    Li, Hong-Feng; Li, Guang-Ming; Chen, Peng; Sun, Wen-Bin; Yan, Peng-Fei

    2012-11-01

    A biphenyl-linked bis-β-diketone ligand, 3,3'-bis(3-phenyl-3-oxopropanol)biphenyl (BPB) has been prepared for the syntheses of a series of dinuclear lanthanide complexes. The ligand bears two benzoyl β-diketonate sites linked by a 3,3'-biphenyl spacer. Reaction of the doubly negatively charged bis-bidenate ligand with lanthanide ions forms triple-stranded dinuclear complexes Ln(2)(BPB)(3) (Ln=Nd (1), Sm (2), Eu (3), Yb (4) and Gd (5)). Electrospray mass spectrometry is used to identify the formation of the triple-stranded dinuclear complexes 1-5, which have been further characterized by various spectroscopic techniques. The complexes display strong visible and NIR luminescence upon excitation at ligands bands around 360 nm, depending on the choice of the lanthanides, and the emission quantum yields and luminescence lifetimes of 2-3 have been determined. It shows that the biphenyl-linked ligand BPB is a more efficient sensitizer than the monodiketone ligand DBM (dibenzoylmethane), through the comparisons of Ln(2)(BPB)(3) and Ln(DBM)(3) on their photoluminescent properties.

  9. 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.

  10. Cytotoxicity, DNA binding and localisation of novel bis-naphthalimidopropyl polyamine derivatives.

    Science.gov (United States)

    Pavlov, V; Kong Thoo Lin, P; Rodilla, V

    2001-07-31

    Bis-naphthalimidopropyl spermidine (BNIPSpd), spermine (BNIPSpm) and oxa-spermine (BNIPOSpm) showed high in vitro cytotoxicity against human breast cancer MCF-7 cells with IC(50) values of 1.38, 2.91 and 8.45 microM, respectively. These compounds were found to effectively displace the intercalating agent ethidium bromide bound to the calf thymus DNA using fluorimetric methods (C(50) 0.08-0.12 microM) and their apparent equilibrium binding constants (K(app)) were calculated to be in the range of 10.5-18 x 10(7) M(-1). Furthermore, strong stabilisation of calf thymus DNA duplex in the presence of bis-naphthalimidopropyl polyamine derivatives (BNIPSpd, BNIPSpm and BNIPOSpm) was observed by UV spectrophotometric analysis (T(m)=93.3-97 degrees C compared with 75 degrees C for calf thymus DNA without drug). Because of their inherent fluorescence, these compounds were localised preferentially inside the nucleus as evidenced by their direct observation under the fluorescence microscope. The results obtained suggest that the cytotoxic activity of the bis-naphthalimidopropyl polyamines may be in part, caused by their effects on DNA.

  11. 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.

  12. 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.

  13. {3,3′-Bis[(anthracen-9-ylmethyl]-1,1′-[(ethane-1,2-diyldioxybis(ethane-1,2-diyl]bis(imidazol-2-ylidene}mercury(II bis(hexafluoridophosphate acetonitrile disolvate

    Directory of Open Access Journals (Sweden)

    Di-Si Bai

    2012-03-01

    Full Text Available In the title compound, [Hg(C42H38N4O2](PF62·2CH3CN, the HgII cation lies on a twofold axis which is also the internal symmetry element of the complete cationic complex. The HgII cation is coordinated by two symmetry-related C(carbene atoms [Hg—C = 2.058 (9 Å] in a nearly linear geometry, with a C—Hg—C angle of 175.8 (5°. There are weak intermolecular C—H...F interactions in the crystal packing between an F atom of a hexafluoridophosphate anion and a –CH2– group of the bis-N-heterocyclic carbene ligand.

  14. Photoinduced charge transfer in donor-acceptor (DA) copolymer: fullerene bis-adduct polymer solar cells.

    Science.gov (United States)

    Kang, Tae Eui; Cho, Han-Hee; Cho, Chul-Hee; Kim, Ki-Hyun; Kang, Hyunbum; Lee, Myounghee; Lee, Sunae; Kim, Bongsoo; Im, Chan; Kim, Bumjoon J

    2013-02-01

    Polymer solar cells (PSCs) consisting of fullerene bis-adduct and poly(3-hexylthiophene) (P3HT) blends have shown higher efficiencies than P3HT:phenyl C(61)-butyric acid methyl ester (PCBM) devices, because of the high-lying lowest unoccupied molecular orbital (LUMO) level of the fullerene bis-adducts. In contrast, the use of fullerene bis-adducts in donor-acceptor (DA) copolymer systems typically causes a decrease in the device's performance due to the decreased short-circuit current (J(SC)) and the fill factor (FF). However, the reason for such poor performance in DA copolymer:fullerene bis-adduct blends is not fully understood. In this work, bulk-heterojunction (BHJ)-type PSCs composed of three different electron donors with four different electron acceptors were chosen and compared. The three electron donors were (1) poly[(4,8-bis-(2-ethylhexyloxy)benzo[1,2-b:4,5-b']dithiophene)-2,6-diyl-alt-(5-octylthieno[3,4-c]pyrrole-4,6-dione)-1,3-diyl] (PBDTTPD), (2) poly[(4,8-bis-(2-ethylhexyloxy)benzo[1,2-b:4,5-b']dithiophene)-2,6-diyl-alt-(4-(2-ethylhexanoyl)-thieno[3,4-b]thiophene)-2,6-diyl] (PBDTTT-C), and (3) P3HT polymers. The four electron acceptors were (1) PCBM, (2) indene-C(60) monoadduct (ICMA), (3) indene-C(60) bis-adduct (ICBA), and (4) indene-C(60) tris-adduct (ICTA). To understand the difference in the performance of BHJ-type PSCs for the three different polymers in terms of the choice of fullerene acceptor, the structural, optical, and electrical properties of the blends were measured by the external quantum efficiency (EQE), photoluminescence, grazing incidence X-ray scattering, and transient absorption spectroscopy. We observed that while the molecular packing and optical properties cannot be the main reasons for the dramatic decrease in the PCE of the DA copolymers and ICBA, the value of the driving force for charge transfer (ΔG(CT)) is a key parameter for determining the change in J(SC) and device efficiency in the DA copolymer- and P3HT-based PSCs in

  15. MACARRÃO ADICIONADO DE ORA-PRO-NÓBIS (PERESKIA ACULEATA MILLER DESIDRATADO

    Directory of Open Access Journals (Sweden)

    DéBORA REGINA DA CUNHA ROCHA

    2009-06-01

    Full Text Available

    A utilização de alimentos alternativos para o combate à fome na população de baixa renda é assunto que tem recebido atenção no Brasil nos últimos anos. As hortaliças não-convencionais constituem uma alternativa para populações carentes por serem boas fontes de nutrientes, apresentarem fácil disponibilidade, além de baixo valor de mercado. Diante disso, o presente trabalho objetivou elaborar e caracterizar física, química e sensorialmente o macarrão tipo talharim com diferentes proporções de ora-pro-nóbis. O ora-pro-nóbis desidratado foi caracterizado quanto sua composição física e química, além de sua utilização do para elaboração das massas de macarrão tipo talharim com diferentes concentrações (1,0; 1,5 e 2,0%, estas foram submetidas a pesquisa de preferência e a formulação preferida foi avaliada quanto a aceitabilidade. O ora-pro-nóbis desidratado apresentou consideráveis teores de proteínas (22,93%, fibras (12,64% e cinzas (18,07%. Dentre as formulações testadas a de maior preferência, formulação com 2,0 % de ora-pro-nóbis, se destacou por apresentar maior conteúdo de proteínas, fibras e cinzas quando comparado com o macarrão convencional. Os resultados demonstram que o uso de 2,0% de ora-pro-nóbis desidratado no macarrão tipo talharim elevou os teores de proteínas, fibras e cinzas em relação ao macarrão convencional. Na avaliação sensorial, o macarrão com adição de ora-pro-nóbis foi aceito por apresentar índice de aceitabilidade de 92,0%. A utilização do ora-pro-nóbis na elaboração de vários produtos alimentícios contribuirá para aumento do seu cultivo, bem como para a melhoria da qualidade da dieta da

  16. 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

  17. 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.

  18. 40 CFR 721.8485 - 2-Propenoic acid, 2-methyl-, (octahydro-4,7-methano-1H- indene-5-diyl)bis(methylene) ester.

    Science.gov (United States)

    2010-07-01

    ...-, (octahydro-4,7-methano-1H- indene-5-diyl)bis(methylene) ester. 721.8485 Section 721.8485 Protection of...-methyl-, (octahydro-4,7-methano-1H- indene-5-diyl)bis(methylene) ester. (a) Chemical substance and...-, (octahydro-4,7-methano- 1H- indene-5-diyl)bis(methylene) ester (PMN P-99-1075; CAS No. 43048-08-4) is...

  19. An efficient and facile synthesis of divergent C-3/C-5 bis-functionalized 2-oxindoles from 5-formyl-Morita-Baylis-Hillman adducts of oxindole

    Indian Academy of Sciences (India)

    Kodirajan Selvakumar; Kandapalam Arun Prasath Lingam; Rama Varma Luxmi Varma; Poovan Shanmugavelan

    2015-08-01

    An efficient and facile synthesis of divergent C-3/C-5 bis-functionalized 2-oxindole derivatives has been achieved from 3,5-bis-Morita-Baylis-Hillman (MBH) adducts of oxindole via nucleophilic substitution reaction for the first time. Wider scope of substrate and rate acceleration has been observed in second MBH reaction under typical reaction condition. The synthetic usefulness of bi-functionalized bis-allyl derivative has been demonstrated by the synthesis of potent bis-pyrazole via [3+2]-annulation strategy.

  20. 177Lu-DTPA-BIS-BIOTIN的制备及正常鼠体内生物分布%Preparation of 177Lu-DTPA-BIS-BIOTIN and Biodistribution Evaluation in Normal Mice

    Institute of Scientific and Technical Information of China (English)

    邓新荣; 杜进; 罗志福

    2010-01-01

    研究了DTPA-BIS-BIOTIN的177Lu标记方法,优化了标记条件,并进行了标记物在正常小鼠体内分布实验.在最佳标记条件下(DTPA-BIS-BIOTIN 25 μg,标记介质pH=4.5,80℃反应20 min),177Lu-DTPA-BIS-BIOTIN标记率大于99.0%,室温下放置96 h,标记物体外稳定性良好.正常小鼠体内分布实验结果表明,177Lu-DTPA-BIS-BIOTIN在血液中清除快,主要浓集于肝、脾和肾,经肾脏排泄.本研究为进一步采用177Lu-DTPA-BIS-BIOTIN进行肿瘤预定位显像及治疗研究提供了实验基础.

  1. Bis[μ-1,3-bis(diphenylphosphanylpropane-κ2P:P′]digold(I tetrachloridonickelate(II diethyl ether monosolvate

    Directory of Open Access Journals (Sweden)

    Asako Igashira-Kamiyama

    2013-06-01

    Full Text Available The title compound, [Au2(C27H26P22][NiCl4]·C4H10O, consists of a digold(I complex cation, an [NiCl4]2− complex anion and a diethyl ether solvent molecule. Two 1,3-bis(diphenylphosphanylpropane (dppp ligands bridge two AuI atoms, forming a metallacycle in which each of the AuI atoms is coordinated in a slightly distorted linear environment by two P atoms. In the complex anion, the NiII atom is coordinated by four chloride ligands in a distorted tetrahedral geometry. The complex cation and the complex anion form a cation–anion pair through two Au...Cl contacts of 3.040 (1 and 3.021 (2 Å. One of the phenyl groups of the dppp ligand is disordered over two positions with equal occupancies.

  2. Crystal structure of bis[N,N-bis(2-hydroxyethylglycinato-κ3O1,N,O2]cobalt(II monohydrate

    Directory of Open Access Journals (Sweden)

    Yang Liu

    2015-11-01

    Full Text Available The title compound, [Co(C6H12O42]·H2O, was prepared by mild heating of an aqueous solution. The CoII ion has a slightly distorted octahedral coordination environment which is defined by two N atoms occupying the apical position, while the equatorial plane is furnished by two hydroxy O atoms and two carboxylate O atoms. The four hydroxy O atoms from two distinct N,N-bis(2-hydroxyethylglycine (bicH2− ligands act as hydrogen-bond donors with two carboxylate O atoms as acceptors to form O—H...O hydrogen-bonded layers extending parallel to (100. In addition, the guest water molecule acts as both a hydrogen-bond donor and acceptor, so that each Co(bicH22 molecule is connected simultaneously to six neighbouring Co(bicH22 and two guest water molecules by hydrogen bonding.

  3. Crystal structure of bis[μ-bis(diphenylphosphanylmethane-κ2P:P′]-μ-chlorido-chlorido-1κCl-(1-phenylthiourea-2κSdisilver acetonitrile hemisolvate

    Directory of Open Access Journals (Sweden)

    Arunpatcha Nimthong-Roldán

    2015-06-01

    Full Text Available In the dinuclear title complex, [Ag2Cl2(C7H8N2S(C25H22P22]·0.5CH3CN, each AgI ion displays a distorted tetrahedral coordination geometry with two P atoms from two bis(diphenylphosphanylmethane (dppm ligands, one bridging chloride ion, one terminal chloride ion and one terminal S atom from the N,N′-phenylthiourea (ptu ligand. The dppm ligands and the bridging chloride ion force the two Ag atoms into close proximity, with a short Ag...Ag separation of 3.2064 (2 Å. In the crystal, complex molecules are linked by N—H...Cl hydrogen bonds forming a dimer. The dimers are linked via weak C— H...Cl hydrogen bonds forming a two-dimensional supramolecular architecture in the yz plane. In addition, an intramolecular N—H...Cl hydrogen bond is observed.

  4. 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.

  5. Bis(4-acetyl-3-methyl-1-phenyl-1H-pyrazol-5-olato-κ2O,O′bis(N,N-dimethylformamide-κOnickel(II

    Directory of Open Access Journals (Sweden)

    Hualing Zhu

    2010-08-01

    Full Text Available The title complex, [Ni(C12H11N2O22(C3H7NO2], lies on on an inversion center. The NiII ion is coordinated in a slightly distorted octahedral coordination enviroment by four O atoms from two bis-chelating 4-acety-3-methyl-1-phenyl-1H-pyrazol-5-olate ligands in the equatorial plane and two O atoms from two N,N-dimethylformamide ligands in the axial sites. In the crystal structure, weak intermolecular π–π stacking interactions with centroid–centroid distances of 3.7467 (13 Å link molecules into chains extending alongthe b axis.

  6. Bis(4-acetyl-3-methyl-1-phenyl-1H-pyrazol-5-olato-κO,O')bis-(N,N-dimethyl-formamide-κO)nickel(II).

    Science.gov (United States)

    Zhu, Hualing; Wei, Zhen; Bu, Luxia; Xu, Xiaoping; Shi, Jun

    2010-07-10

    The title complex, [Ni(C(12)H(11)N(2)O(2))(2)(C(3)H(7)NO)(2)], lies on on an inversion center. The Ni(II) ion is coordinated in a slightly distorted octa-hedral coordination enviroment by four O atoms from two bis-chelating 4-acety-3-methyl-1-phenyl-1H-pyrazol-5-olate ligands in the equatorial plane and two O atoms from two N,N-dimethyl-formamide ligands in the axial sites. In the crystal structure, weak inter-molecular π-π stacking inter-actions with centroid-centroid distances of 3.7467 (13) Å link mol-ecules into chains extending alongthe b axis.

  7. Self-assembly, structures and properties of three new Ni(II) coordination polymers derived from two different bis-pyridyl-bis-amide ligands and two aromatic polycarboxylates

    Indian Academy of Sciences (India)

    HONGYAN LIN; JUNJUN SUN; GUOCHENG LIU; XIANG WANG; PANWEN CHEN

    2017-01-01

    Three new Ni(II) coordination polymers exhibiting different 1D and 2D framework structures have been hydrothermally synthesized: [Ni(L ¹)(1,3-BDC)(H ₂O) ₃]•H ₂O (1), [Ni(L ¹)(1,3,5-HBTC)(H ₂O) ₃] (2), [Ni ₃ (L ²)3(1,3,5-BTC) ₂ (H ₂O)8]•12H ₂ ₂O (3) [L ¹ = N,N_-bis(pyridin-3-yl)cyclohexane-1,4-dicarboxamide, L ² = N,N’-bis(3-pyridyl)octandiamide, 1,3-H ₂BDC = 1,3-benzenedicarboxylic acid, 1,3,5-H3BTC = 1,3,5- benzenetricarboxylic acid]. X-ray single crystal diffraction analyses revealed that polymer 1 is a 2D interlaced layer based on the 1D [Ni(L ¹)(1,3-BDC)(H ₂O) ₃] meso-helical chains. Polymer 2 is a 1D wave-shaped chain derived from the 1D [Ni(L ¹)]n chain and monodentate coordinated 1,3,5-HBTC anions. Polymer 3 possesses an interesting 2D layer containing the trinuclear [Ni ₃ (1,3,5-BTC) ₂] substructural unit and 1D zigzag [Ni(L ²)]n chain, representing a 3,4-connected {6•8 ²} ₂{6 ² •8 ² • 10• 12} topology. Finally, the adjacent 1D chains or the 2D layers are connected through hydrogen bonding interactions to construct 3D supramolecular networks. Further, the thermal stability, solid state fluorescent property and photocatalytic activity of 1–3 have been investigated.

  8. Crystal structures of functional building blocks derived from bis(benzo[b]thiophen-2-yl)methane.

    Science.gov (United States)

    Katzsch, Felix; Gruber, Tobias; Weber, Edwin

    2016-09-01

    The syntheses of three bis(benzo[b]thiophen-2-yl)methane derivatives, namely bis(benzo[b]thiophen-2-yl)methanone, C17H10OS2, (I), 1,1-bis(benzo[b]thiophen-2-yl)-3-(trimethylsilyl)prop-2-yn-1-ol, C22H20OS2Si, (II), and 1,1-bis(benzo[b]thiophen-2-yl)prop-2-yn-1-ol, C19H12OS2, (III), are described and their crystal structures discussed comparatively. The conformation of ketone (I) and the respective analogues are rather similar for most of the compounds compared. This is true for the interplanar angles, the Caryl-Cbridge-Caryl angles and the dihedral angles. The best resemblance is found for a bioisotere of (I), viz. 2,2'-dinaphthyl ketone, (VII). By way of interest, the crystal packings also reveal similarities between (I) and (VII). In (I), the edge-to-face interactions seen between two napthyl residues in (VII) are substituted by S...π contacts between the benzo[b]thiophen-2-yl units in (I). In the structures of the bis(benzo[b]thiophen-2-yl)methanols, i.e. (II) and (III), the interplanar angles are also quite similar compared with analogues and related active pharmaceutical ingredients (APIs) containing the dithiophen-2-ylmethane scaffold, though the dihedral angles show a larger variability and produce unsymmetrical molecules.

  9. 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.

  10. PROPIEDADES PSICOMÉTRICAS DE LA ESCALA BIS/BAS EN UNA MUESTRA DE ESTUDIANTES UNIVERSITARIOS MEXICANOS

    Directory of Open Access Journals (Sweden)

    Marco Antonio Pulido Rull

    2016-01-01

    Full Text Available El objetivo de este trabajo fue determinar la estructura factorial, validez predictiva y consistencia interna de la Escala BIS/BAS de Carver y White en una muestra de estudiantes universitarios mexicanos. Participaron 669 universitarios de la Ciudad de México, quienes contestaron una batería compuesta por la Escala BIS/BAS, la Escala de Tamizaje de Abuso de Cannabis, la escala de tamizaje de abuso de drogas (dast-10 y la Escala de Estrés en Estudiantes Universitarios Revisada (SEEU-R. Los resultados del análisis factorial exploratorio mostraron que los reactivos de la Escala BIS/BAS se distribuyen en las cuatro dimensiones postuladas por la teoría de la sensibilidad al reforzamiento; además, la consistencia interna global y de cada factor alcanzaron valores aceptables. Asimismo, la subescala de búsqueda de emociones resultó ser un predictor estadísticamente significativo de los puntajes de cast y dast-10, mientras que la subescala BIS fue un predictor, igualmente significativo, de estrés académico. Los resultados del estudio sugieren que la Escala BIS/BAS en español es válida y confiable en población universitaria mexicana.

  11. 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

    2016-05-20

    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.

  12. Bis-Fe(IV): nature's sniper for long-range oxidation.

    Science.gov (United States)

    Geng, Jiafeng; Davis, Ian; Liu, Fange; Liu, Aimin

    2014-10-01

    Iron-dependent enzymes are prevalent in nature and participate in a wide range of biological redox activities. Frequently, high-valence iron intermediates are involved in the catalytic events of iron-dependent enzymes, especially when the activation of peroxide or molecular oxygen is involved. Building on the fundamental framework of iron-oxygen chemistry, these reactive intermediates constantly attract significant attention from the enzymology community. During the past few decades, tremendous efforts from a number of laboratories have been dedicated to the capture and characterization of these intermediates to improve mechanistic understandings. In 2008, an unprecedented bis-Fe(IV) intermediate was reported in a c-type diheme enzyme, MauG, which is involved in the maturation of a tryptophan tryptophylquinone cofactor of methylamine dehydrogenase. This intermediate, although chemically equivalent to well-characterized high-valence iron intermediates, such as compound I, compound ES, and intermediate Q in methane monooxygenase, as well as the hypothetical Fe(V) species in Rieske non-heme oxygenases, is orders of magnitude more stable than these other high-valence species in the absence of its primary substrate. It has recently been discovered that the bis-Fe(IV) intermediate exhibits a unique near-IR absorption feature which has been attributed to a novel charge-resonance phenomenon. This review compares the properties of MauG with structurally related enzymes, summarizes the current knowledge of this new high-valence iron intermediate, including its chemical origin and structural basis, explores the formation and consequences of charge resonance, and recounts the long-range catalytic mechanism in which bis-Fe(IV) participates. Biological strategies for storing oxidizing equivalents with iron ions are also discussed.

  13. Alkyltransferase-mediated toxicity of bis-electrophiles in mammalian cells.

    Science.gov (United States)

    Kalapila, Aley G; Pegg, Anthony E

    2010-02-03

    The primary function of O(6)-alkylguanine-DNA alkyltransferase (AGT) is to maintain genomic integrity in the face of damage by both endogenous and exogenous alkylating agents. However, paradoxically, bacterial and mammalian AGTs have been shown to increase cytotoxicity and mutagenicity of dihaloalkanes and other bis-electrophiles when expressed in bacterial cells. We have extended these studies to mammalian cells using CHO cells that lack AGT expression and CHO cells stably transfected with a plasmid that expresses human AGT. The cytotoxicity of 1,2-dibromoethane, dibromomethane and epibromohydrin was significantly increased by the presence of AGT but cytotoxicity of butadiene diepoxide was not affected. Mutations caused by these agents were assessed using hypoxanthine-guanine phosphoribosyltransferase (HPRT) as a reporter gene. There was a small (c. 2-3-fold) but statistically significant AGT-mediated increase in mutations caused by 1,2-dibromoethane, dibromomethane and epibromohydrin. Analysis of the mutation spectrum induced by 1,2-dibromoethane showed that the presence of AGT also altered the types of mutations with an increase in total base substitution mutants due to a rise in transversions at both G:C and A:T sites. AGT expression also led to mutations arising from the transcribed strand, which were not seen in cells lacking AGT. Although the frequency of deletion mutations was decreased by AGT expression, the formation of large deletions (> or = 3 exons) was increased. This work demonstrates that interaction of AGT with some bis-electrophiles can cause mutagenicity and diminished cell survival in mammalian cells. It is consistent with the hypothesis that DNA-AGT cross-links, which have been characterized in experiments with purified AGT protein and such bis-electrophiles, can be formed in mammalian cells.

  14. Solution, thermal and optical properties of bis(pyridinium salt)s as ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Jo, Tae Soo; Koh, Jung Jae; Han, Haesook [Department of Chemistry, University of Nevada at Las Vegas, 4505 Maryland Parkway, Box 454003, Las Vegas, NV 89154 (United States); Bhowmik, Pradip K., E-mail: pradip.bhowmik@unlv.edu [Department of Chemistry, University of Nevada at Las Vegas, 4505 Maryland Parkway, Box 454003, Las Vegas, NV 89154 (United States)

    2013-05-15

    Bis(pyridinium salt)s containing different alkyl chain lengths and various organic counterions were prepared by the ring-transmutation reaction of bis(pyrylium tosylate) with aliphatic amines in dimethyl sulfoxide at 130–135 °C for 18 h and their tosylate counterions were exchanged to other anions such as triflimide, methyl orange, and dioctyl sulfosuccinate by the metathesis reaction in a common organic solvent. Their chemical structures were established by using {sup 1}H, {sup 19}F, and {sup 13}C NMR spectra. The thermal properties of bis(pyridinium salt)s were studied by DSC and TGA measurements. Some of the dicationic salts provided low melting points below 100 °C and some of them displayed amorphous properties. Polarized optical microscopy studies revealed the crystal structures prior to melting temperatures in some cases. Their optical properties were examined by using UV–Vis and photoluminescent spectrometers; and they emitted blue light both in the solution and solid states regardless of their microstructures, counterions, and the polarity of organic solvents. However, most of these salts exhibited hypsochromic shifts in their emission peaks in the solid state when compared with those of their solution spectra. Due to unique properties of methyl orange anion as a pH indicator, two of the salts showed different color change in varying concentrations of triflic acid in common organic solvents, demonstrating their potential use as an acid sensor in methanol, acetonitrile and acetone. Highlights: ► Luminescent dicationic salts were synthesized by ring-transmutation and metathesis reactions. ► Thermal and optical properties of dicationic salts are affected by the size of anion structures. ► Due to the methyl orange counterions, some dicationic salts showed pH- sensing property.

  15. 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.

  16. 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

  17. 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.

  18. 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.

  19. New discrete and polymeric supramolecular architectures derived from dinuclear (bis-beta-diketonato)copper(II) metallocycles.

    Science.gov (United States)

    Clegg, Jack K; Gloe, Karsten; Hayter, Michael J; Kataeva, Olga; Lindoy, Leonard F; Moubaraki, Boujemaa; McMurtrie, John C; Murray, Keith S; Schilter, David

    2006-09-07

    New examples of adducts between di- (and, in one instance, tetra-) functional nitrogen ligands and planar 'platform-like' dinuclear copper(II) complexes, [Cu2L2], incorporating the 1,3-aryl linked bis-beta-diketonato bridging ligand 1,1'-(1,3-phenylene)-bis(4,4-dimethylpentane-1,3-dione) (H2L) have been synthesised. The X-ray structures of six adduct species are reported. The interaction of [Cu2(L)2] with the ditopic ligand aminopyrazine (apyz) yielded the sandwich-like tetranuclear species [(Cu2L2(apyz))2]. A variable-temperature magnetochemical investigation of this product indicated weak antiferromagnetic coupling between the (five-coordinate) copper centres, mediated by the 2-aminopyrazine linkers. An analogous structure, [(Cu2L2(dabco))2] (dabco=1,4-diazabicyclo[2.2.2]octane), was generated when dabco was substituted for aminopyrazine while use of 4,4'-dipyridyl sulfide (dps) and 4,4'-(1,3-xylylene)-bis(3,5-dimethylpyrazole) (xbp) as the ditopic 'spacer' ligands resulted in polymeric species of type [Cu2L2(dps)]n and [Cu2L2(xbp)]n, respectively. These latter species exist as one-dimensional chain structures in which copper(II) centres on different dinuclear platforms are linked in a 'zigzag' fashion. In contrast, with 2,2'-dipyridylamine (dpa) a discrete complex of type [Cu2L2(dpa)2] formed in which one potential pyridyl donor from each 2,2'-dipyridylamine ligand remains uncoordinated. The use of the potentially quadruply-bridging hexamethylenetetramine (hmt) ligand as the linker unit was found to give rise to an unusual two-dimensional polymeric motif of type [(Cu2(L2)2)3(hmt)2]n. The product takes the form of a (6,3) network, incorporating triply bridging hexamethylenetetramine units.

  20. SYNTHESIS AND OPTICAL-ELECTRONIC PROPERTIES OF POLY[METHYLTETRAPHENYLPHENYLSILYLENE-CO-BIS(METHYLPHENYLSILYL)ACETYLENE

    Institute of Scientific and Technical Information of China (English)

    Mei-jiang Li; Sheng-yu Feng; Shi-jie Xie

    2004-01-01

    Poly(methyltetraphenylphenylsilylene-co-bis(methylphenylsilyl)acetylene) (PSA) was synthesized by the cocondensation reaction of methyltetraphenylphenyldichlorosilane and bis(chloromethylphenylsilyl)acetylene with sodium in toluene. The PSA thus obtained was soluble in most organic solvents, and its molecular weight was smaller than that of poly[(disilanylene)acetylenes] with alkyl- or aryl-substitution because of the great steric congestion of tetraphenylphenyl groups. The optical and electronic properties of the polymer were investigated. The results show that PSA has strong UV absorption and fluorescence emission, the maximum UV absorption wavelength of PSA is 330 nm, which shows a considerable red-shift in comparison with that of poly(methylphenylsilylene-co-methylphenylsilylacetylene) (PSI) and alkylsubstituted poly[(disilanylene)acetylenes]. A strong photoluminescence band at 470 nm in THF and 432 nm in benzene can be observed in the visible region, respectively. Treatment of the films of PSA with I2 vapor afforded conducting films. The conductivity of PSA thin film doped with I2 was measured to be 0.35 Scm-1 in the air which is lower than that of poly(methyltetraphenylphenylsilylene-co-bis(methylphenylsilyl)phenylene), but higher than that of σ-π polymers without tetraphenylphenyl groups. As an explanation, the tetraphenylphenyl group is a large π-electron-conjugated group; after being introduced to the Si atoms of the polysilanes, the interaction between π-electrons of the tetraphenylphenyl groups and the σ-electrons conjugated along the Si-Si bonds is increased strongly, and the σ-electrons can be conjugated more extensively along the main chain of the polysilanes.

  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. 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.

  3. An expeditious synthetic approach towards the synthesis of Bis-Schiff bases (aldazines) using ultrasound.

    Science.gov (United States)

    Khan, Khalid M; Jamil, Waqas; Ambreen, Nida; Taha, Muhammad; Perveen, Shahnaz; Morales, Guillermo A

    2014-05-01

    Aldazines (Bis-Schiff bases) 1-24 were synthesized using aromatic aldehydes (heterocyclic and benzaldehydes) and hydrazine hydrate under reflux using conventional heating and/or via ultrasound irradiation using BiCl3 as catalyst. Ultrasonication conditions with cat. BiCl3 proved to be an effective, environmentally friendly synthetic procedure. This methodology is robust in the presence of electron donating and electron withdrawing groups affording desired products with high yields (>95%) in just a couple of minutes vs. hours using conventional heating.

  4. Synthesis of symmetrically substituted bis-TTF fused 1,4-dithiine (BTDT) derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Yamochi, H. [Kyoto Univ. (Japan). Dept. of Chemistry; Saito, G. [Kyoto Univ. (Japan). Dept. of Chemistry

    1997-02-15

    To prepare the title compounds which show bent molecular shapes at the centers, a general synthetic route is developed. The successive treatment of 4,5-vinylenedithio-1,3-dithiole-2-thione (5) with LDA, sulfur and thiophosgene gave the key intermediate of the dithione (6). The thiocarbonyl groups were oxidized to carbonyl gronps by Hg(OAc){sub 2}. The coupling reaction of this diketone (7) and 4,5-bis(methylthio)-1,3-dithiole-2-thione (10) gave (MeS){sub 4}BTDT (1, R{sup 1} = R{sup 2} = SCH{sub 3}) as the first example utilizing our synthetic strategy. (orig.)

  5. 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.

  6. Ultrasound Promoted Synthesis of Bis(substituted pyrazol-4-ylcarbonyl-Substituted Thioureas

    Directory of Open Access Journals (Sweden)

    Li Xiao

    2009-03-01

    Full Text Available A series of novel bis(substituted pyrazol-4-ylcarbonyl-substituted thioureas have been synthesized by the reactions of substituted pyrazol-4-ylcarbonyl isothiocyanates with different diamines under ultrasound irradiation and classical heating method at 20-25 °C. In general, substantial improvement in rates and modest yields increases were observed when reactions were carried out under sonication, compared with the classical heating method. The structures of these compounds have been elucidated by elemental and spectral (IR, 1H-NMR analysis.

  7. 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.

  8. Studies on Epitaxial Polymerization of 1,3-Bis(3-quinolyl)-1,4-butadiyne

    Institute of Scientific and Technical Information of China (English)

    LI Tie-Sheng; Shuji Okada; Hachiro Nakanishi

    2004-01-01

    During investigating what causes the low yield of the polymerization product of 1,4-bis (quinolyl)-1, 3-butadiyne(DQ), we found that the DQ crystals formed on the surface of PDQ cauld be polymerized to give blue crystals, in which DQ could be sublimated and crystallized on the surface of PDQ film. According to the experimental results, the reason why the DQ crystals can be polymerized is that the sublimation of DQ changes the molecular orientation of DQ in the crystal. The crystals formed in epitaxial growth on the surface of DQ or PDQ during sublimation of DQ are suitable for 1,4-addition polymerization.

  9. 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.

  10. Si-H activation of hydrosilanes leading to hydrido silyl and bis(silyl) nickel complexes.

    Science.gov (United States)

    Zell, Thomas; Schaub, Thomas; Radacki, Krzysztof; Radius, Udo

    2011-03-07

    A general route for the synthesis of novel NHC stabilized nickel bis(silyl) and nickel hydrido silyl complexes is presented. The reaction of [Ni(2)((i)Pr(2)Im)(4)(COD)] 1 ((i)Pr(2)Im = 1,3-di-isopropyl-imidazolin-2-ylidene) with hydrosilanes H(n)SiR(4-n) leads to complexes of the type [Ni((i)Pr(2)Im)(2)(SiH(n-1)R(4-n))(H)] or [Ni((i)Pr(2)Im)(2)(SiH(n-1)R(4-n))(2)].

  11. [N,N-Bis(diphenyl­phosphino)isopropyl­amine]dibromidonickel(II)

    OpenAIRE

    Hapke, Marko; Wöhl, Anina; Peitz, Stephan; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe

    2009-01-01

    The title compound, [NiBr2(C27H27NP2)], was synthesized by the reaction of NiBr2(dme) (dme is 1,2-dimethoxy­ethane) with N,N-bis­(diphenyl­phosphino)isopropyl­amine in methanol/tetra­hydro­furan. The nickel(II) center is coordinated by two P atoms of the chelating PNP ligand, Ph2PN(iPr)PPh2, and two bromide ions in a distorted square-planar geometry.

  12. 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.

  13. 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)

  14. 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...

  15. 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.

  16. 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.

  17. 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)

  18. 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.

  19. 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.

  20. Poly[1,4-bis(ammoniomethylcyclohexane [di-μ-iodido-diiodidoplumbate(II

    Directory of Open Access Journals (Sweden)

    Matthew Kyle Rayner

    2010-06-01

    Full Text Available The title compound, {(C8H20N2[PbI4]}n, is an inorganic–organic hybrid. The structure is composed of alternate layers of two-dimensional corner-sharing PbI6 octahedra (overline{1} symmetry and 1,4-bis(ammoniomethylcyclohexane cations (overline{1} symmetry extending parallel to the bc plane. The cations interact with the inorganic layer via N—H...I hydrogen bonding in the right-angled halogen sub-type of the terminal halide hydrogen-bonding motif.

  1. Micelles and reverse micelles in the nickel bis(2-ethylhexyl) sulfosuccinate/water/isooctane microemulsion.

    Science.gov (United States)

    Garza, Cristina; Carbajal-Tinoco, Mauricio D; Castillo, Rolando

    2004-12-01

    The ternary system Ni(2+)(AOT)(2) (nickel 2-bis[2-ethylhexyl] sulfosuccinate)/water/isooctane presents w/o and o/w microemulsions with a Winsor progression (2Phi-3Phi-2Phi), without the addition of salt; the "fish diagram" was obtained for alpha=0.5 and gamma=0.02-0.22. Using static and dynamic light scattering the micellar size, the ratio of water to surfactant, and the density of micelles for this system were estimated. In addition, the mean interfacial curvature as a function of temperature was obtained.

  2. Antifungal bis[bibenzyls] from the Chinese liverwort Marchantia polymorpha L.

    Science.gov (United States)

    Niu, Chong; Qu, Jian-Bo; Lou, Hong-Xiang

    2006-01-01

    Bioassay-guided separation of the antifungal constituents of the Chinese liverwort Marchantia polymorpha L. (Marchantiaceae) led to the isolation of seven bis[bibenzyl]-type macrocycles. On the basis of NMR and MS analyses, the three new compounds plagiochin E (1), 13,13'-O-isoproylidenericcardin D (4), and riccardin H (7) were identified, together with four known compounds: marchantin E (2), neomarchantin A (3), marchantin A (5), and marchantin B (6). Their antifungal activities against Candida albicans were determined by TLC bioautography.

  3. New method for synthesis of unsymmetrical bis-organoelemental (Si, B) ketenes

    Energy Technology Data Exchange (ETDEWEB)

    Ponomarev, S.V.; Nikolaeva, S.N.; Molchanova, G.N.; Kostyuk, A.S.; Grishin, Yu.K. (Moskovskij Gosudarstvennyj Univ. (USSR))

    1984-08-01

    To develop a new general method of synthesis of boronorganic (Si, B) ketenes the interaction of trialkylsilyletoxyacetylenes with BCl/sub 3/, BBr/sub 3/ and (Me/sub 2/N)/sub 2/BBr has been studied. Reaction with boron halides proceeds at - 50 deg C with the formation of trialkylsilylhalogenborylketenes, and with bromine-bis(dimethylamino)borane - at 80 deg C in the medium of dibutyl ether. The ketenes synthesized are stable compounds, distilled in argon atmosphere. Their structure and the presence of the direct bond B-C are confirmed by the data of IR, NMR /sup 1/H, /sup 11/B, /sup 13/C spectra.

  4. Synthesis, characterization and electrical study of new bis-fused tetrathiafulvalenecontains functional groups

    Directory of Open Access Journals (Sweden)

    Meriam Boumedjout

    2015-12-01

    Full Text Available New series of bis-fused tetrathiafulvalene contains functional groups was newly synthesized. The synthesis was carried out by using routes involving cross coupling, reduction, oxidation, and Wittig-type reactions. The identity of these new donors is confirmed by NMR1H, mass spectrometry, and elemental analysis. We have used the cyclic voltammetry in order to determine the character donors-π of these molecules and to verify the reversibility of the redox process involved. Molecular orbital diagram has been calculated using density-functional calculations. Charge transfer complexes with tetraflurotetracyano-quinodimethane (TCNQF4 were prepared by chemical redox reactions.

  5. Reversible intramolecular photocycloaddition of a bis(9-anthrylbutadienylparacyclophane – an inverse photochromic system. (Photoactive cyclophanes 5

    Directory of Open Access Journals (Sweden)

    Henning Hopf

    2009-05-01

    Full Text Available The title compound, 4,13-bis[(1E,3E-4-(9-anthracenylbuta-1,3-dienyl][2.2]paracyclophane (2, prepared in 35% overall yield from [2.2]paracyclophane, absorbs light at λmax = 400 nm with a tail down to 480 nm. By irradiation into this band, 2 generates a single photoproduct, 4, whose absorption maximum is situated at 306 nm. The starting material is recovered by irradiation at 306 nm or by heating. This ‘inverse’ photochromic system has a potential for optical information storage, compound 4 being stable in visible light, at ambient temperature.

  6. Investigation on photochromism of 1,2-bis(1,4-dimethyl-2-phenyl)perfluorocyclopentene

    Institute of Scientific and Technical Information of China (English)

    LIU Xuedong; TONG Qingxiao; SHI Ming; ZHANG Fushi

    2006-01-01

    The photochromic diarylethene, 1,2-bis(1,4-dimethyl-2-phenyl)perfluorocyclopentene has been synthesized and its single crystal can be obtained in hexane at -4℃. The structure of diphenylperluorocyclopentene bearing C2/c space group and monoclinic crystal system is very different from that of dithienylperfluorocyclopentene derivatives bearing Pī space group and triclinic crystal system by X-ray crystallographic analysis. The compound undergoes the phototchromic reaction in solution but no optical activity in single crystal. In addition, its optimum conformation in solvent is also discussed.

  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(C5H4......Me)(2) complexes reported in the literature; both structures display eta(1)-coordination of the methylcyclopentadienyl ring to zinc, and both compounds display chirogenic alpha-carbon atoms. While 1 forms racemic crystals, 2 undergoes spontaneous resolution and crystals of 2 are thus enantiomerically...

  8. 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)

  9. 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.

  10. 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.

  11. Bis(3,5-dimethylpyrazole-kappaN2)silver(I) nitrate.

    Science.gov (United States)

    Mohamed, Ahmed A; Fackler, John P

    2002-04-01

    The two independent bis(3,5-dimethylpyrazole)silver(I) cations in crystalline [Ag(C(5)H(7)N(2))(2)]NO(3) display N-Ag-N angles of 175.51 (14) and 174.44 (13) degrees, and an average Ag-N distance of 2.124 (5) A. The nitrate anion is situated between [Ag(C(5)H(7)N(2))(2)]+ units and interacts via hydrogen bonds with the NH groups. The two 3,5-dimethylpyrazole ligands are trans about the silver center. Only a small deviation from linearity is observed in the coordination around silver.

  12. Complex materials for molecular spintronics applications: cobalt bis(dioxolene) valence tautomers, from molecules to polymers.

    Science.gov (United States)

    Calzolari, Arrigo; Chen, Yifeng; Lewis, Geoffrey F; Dougherty, Daniel B; Shultz, David; Nardelli, Marco Buongiorno

    2012-11-01

    Using first principles calculations, we predict a complex multifunctional behavior in cobalt bis(dioxolene) valence tautomeric compounds. Molecular spin-state switching is shown to dramatically alter electronic properties and corresponding transport properties. This spin state dependence has been demonstrated for technologically relevant coordination polymers of valence tautomers as well as for novel conjugated polymers with valence tautomeric functionalization. As a result, these materials are proposed as promising candidates for spintronic devices that can couple magnetic bistability with novel electrical and spin conduction properties. Our findings pave the way to the fundamental understanding and future design of active multifunctional organic materials for spintronics applications.

  13. Photoinduced phase transition of the tetrafluoroborate salt of bis( N, N-diethylethylenediamine)copper(II)

    Science.gov (United States)

    Naumov, Panče; Sakurai, Kenji

    2006-08-01

    The continuous temperature-induced change of the ligand field strain in a pseudo-Jahn-Teller thermochromic crystal bis( N, N-diethylethylenediamine)copper(II) tetrafluoroborate was studied. In situ powder photodiffraction was employed to demonstrate that at the low-temperature limit of the gradual lattice stability another structural phase transition can be triggered by photoinduction of the intramolecular ligand-to-metal charge transfer. The minute differences in the cationic structure imposed by the isomorphic ionic substitution result in increase of the temperature of the photoinduced phase transition of about 30 K relative to the perchlorate salt.

  14. 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.

  15. 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)

  16. 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.

  17. 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.

  18. 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.

  19. Perioperative use of bispectral (BIS) monitor for a pressure ulcer patient with locked-in syndrome (LIS).

    Science.gov (United States)

    Yoo, Christine; Ayello, Elizabeth A; Robins, Bryan; Salamanca, Victor R; Bloom, Marc J; Linton, Patrick; Brem, Harold; O'Neill, Daniel K

    2014-10-01

    The bispectral (BIS) monitor uses brain electroencephalographic data to measure the depth of sedation and pharmacological response during anaesthetic procedures. In this case, the BIS monitor was used for another purpose, to demonstrate postoperatively to the nursing staff that a patient with history of locked-in syndrome (LIS), who underwent pressure ulcer debridement, had periods of wakefulness and apparent sensation, even with his eyes closed. Furthermore, as patients with LIS can feel pain, despite being unable to move, local block or general anaesthesia should be provided for sharp surgical debridement and other painful procedures. This use of the BIS has shown that as a general rule, the staff should treat the patient as though he might be awake and sensate even if he does not open his eyes or move his limbs. The goal of this study was to continuously monitor pain level and communicate these findings to the entire wound team, i.e. anaesthesiologists, surgeons and nurses.

  20. Crystal structure of catena-poly[bis(formato-κO)bis-[μ2-1,1'-(1,4-phenyl-ene)bis-(1H-imidazole)-κ(2) N (3):N (3')]cobalt(II)].

    Science.gov (United States)

    Xu, Guo-Wang; Wang, Ye-Nan; Xia, Hong-Xu; Wang, Zhong-Long

    2015-09-01

    A red block-shaped crystal of the title compound, [Co(HCOO)2(C12H10N4)2] n , was obtained by the reaction of cobalt(II) nitrate hexa-hydrate, formic acid and 1,1'-(1,4-phenyl-ene)bis-(1H-imidazole) (bib) mol-ecules. The asymmetric unit consists of one Co(II) cation, one formate ligand and two halves of a bib ligand. The central Co(II) cation, located on an inversion centre, is coordinated by two carboxyl-ate O atoms and four N atoms from bib ligands, completing an octa-hedral coordination geometry. The Co(II) centres are bridged by bib ligands, giving a two-dimensional net. Topologically, taking the Co(II) atoms as nodes and the bib ligands as linkers, the two-dimensional structure can be simplified as a typical sql/Shubnikov tetra-gonal plane network. The structure features C-H⋯O hydrogen-bonding inter-actions between formate and bib ligands, resulting in a three-dimensional supra-molecular network.

  1. Lyso(bis)phosphatidic acid: a preferred donor of arachidonic acid for macrophage-synthesis of eicosanoids

    Energy Technology Data Exchange (ETDEWEB)

    Cochran, F.; Roddick, V.; Connor, J.; Waite, M.

    1986-05-01

    In order to dissect mechanisms of arachidonic acid (20:4) metabolism, two cell populations were investigated, resident (AM) and Bacillus Calmette-Guerin-activated (BCG-AM) rabbit alveolar macrophages. After purified AM were labeled overnight with (/sup 3/H)20:4, radioactivity was localized primarily within lyso(bis)phosphatidic acid (L(bis)PA) (13.1%), phosphatidylethanolamine (PE) (22.8%) and phosphatidylcholine (PC) (26.7%), with lesser amounts recovered in phosphatidyl-serine (PS) plus phosphatidylinositol (PI) (9.2%). By contrast, analysis of the phospholipid classes from prelabeled BCG-AM revealed that the mass of L(bis)PA as well as its (/sup 3/H)20:4 content was profoundly decreased while other BCG-AM phospholipids remained unchanged. When (/sup 3/H)20:4-labeled AM were stimulated with 1 ..mu..M 12-0-tetradecanoyl-phorbol-13-acetate (TPA), a loss of (/sup 3/H)20:4 was observed from L(bis)PA, PE, PC, and PS/PI with a corresponding increase in eicosanoid synthesis. BCG-AM exposed to either TPA or 3.8 ..mu..M Ca/sup +2/ ionophore A23187 liberated (/sup 3/H)20:4 solely from Pe and PC. BCG-AM, which exhibited depressed eicosanoid formation, consistently failed to deacylate (/sup 3/H)20:4 from L(bis)PA or PI. Their evidence suggests that the diminution of eicosanoid synthesis by BCG-AM may be due to the reduction of 20:4 contained within specific phospholipid pools, namely L(bis)PA.

  2. 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...

  3. Next-generation bis-locked nucleic acids with stacking linker and 2'-glycylamino-LNA show enhanced DNA invasion into supercoiled duplexes

    DEFF Research Database (Denmark)

    Geny, Sylvain; Moreno, Pedro M D; Krzywkowski, Tomasz;

    2016-01-01

    Targeting and invading double-stranded DNA with synthetic oligonucleotides under physiological conditions remain a challenge. Bis-locked nucleic acids (bisLNAs) are clamp-forming oligonucleotides able to invade into supercoiled DNA via combined Hoogsteen and Watson-Crick binding. To improve the b...

  4. Formation of mixed aryl-, alkyl-lithium aggregates in the heteroatom assisted lithiation of a,a'-dialkyl substituted 1,3-bis[(dimethylamino)methyl]benzene

    NARCIS (Netherlands)

    Koten, G. van; Donkervoort, J.G.; Vicario, J.L.; Rijnberg, E.; Jastrzebski, J.T.B.H.; Kooijman, H.; Spek, A.L.

    1998-01-01

    The heteroatom assisted lithiation of 1, 3-bis[1-(dimethylamino)ethyl]benzene with n-BuLi afforded 2,6-bis[1-(dimethylamino)ethyl]phenyllithium. An X-ray crystal structure determination revealed a dimeric aggregate in which the four benzylic chiral centers are identical, pointing to stereoselective

  5. Dehydrogenation of formic acid by Ir-bisMETAMORPhos complexes: experimental and computational insight into the role of a cooperative ligand

    NARCIS (Netherlands)

    Oldenhof, S.; Lutz, M.; de Bruin, B.; van der Vlugt, J.I.; Reek, J.N.H.

    2015-01-01

    The synthesis and tautomeric nature of three xanthene-based bisMETAMORPhos ligands (La-Lc) is reported. Coordination of these bis(sulfonamidophosphines) to Ir(acac)(cod) initially leads to the formation of Ir-I(L-H) species (1a), which convert via formal oxidative addition of the ligand to Ir-III(L)

  6. 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

  7. Zinc Oxide Nanoparticles Catalyzed Condensation Reaction of Isocoumarins and 1,7-Heptadiamine in the Formation of Bis-Isoquinolinones

    Science.gov (United States)

    Krishnakumar, Varadhan; Mohan Kumar, Kesarla; Mandal, Badal Kumar; Khan, Fazlur-Rahman Nawaz

    2012-01-01

    The diversified bis-isoquinolinones were obtained in two steps, utilizing homophthalic acid and various acid chlorides providing 3-substituted isocoumarins in the first step which on further condensation with 1,7-heptadiamine involving C–N bond formation from the lactone in the presence of 10 mol% zinc oxide nanoparticles (ZnO NPs) (<150 nm) afforded the desired bis-isoquinolinones in high yield and purity. The synthesized compounds were then characterized using FTIR, 1H NMR, 13C NMR, and HRMS techniques. PMID:22536149

  8. 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.

  9. 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.

  10. 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 ...

  11. Estudio in vitro de la actividad citotóxica de resinas dentales tipo BIS-GMA

    OpenAIRE

    Ríos, M.; 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...

  12. Zinc Oxide Nanoparticles Catalyzed Condensation Reaction of Isocoumarins and 1,7-Heptadiamine in the Formation of Bis-Isoquinolinones

    Directory of Open Access Journals (Sweden)

    Varadhan Krishnakumar

    2012-01-01

    Full Text Available The diversified bis-isoquinolinones were obtained in two steps, utilizing homophthalic acid and various acid chlorides providing 3-substituted isocoumarins in the first step which on further condensation with 1,7-heptadiamine involving C–N bond formation from the lactone in the presence of 10 mol% zinc oxide nanoparticles (ZnO NPs (<150 nm afforded the desired bis-isoquinolinones in high yield and purity. The synthesized compounds were then characterized using FTIR, 1H NMR, 13C NMR, and HRMS techniques.

  13. Tuning the microstructures of decavanadate-based supramolecular hybrids via regularly changing the spacers of bis(triazole) ligands

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Mo; Sun, Wenlong [Key Laboratory of Green Chemical Engineering and Technology of College of Heilongjiang Province, College of Chemical and Environmental Engineering, Harbin University of Science and Technology, Harbin 150040 (China); Pang, Haijun, E-mail: panghj116@163.com [Key Laboratory of Green Chemical Engineering and Technology of College of Heilongjiang Province, College of Chemical and Environmental Engineering, Harbin University of Science and Technology, Harbin 150040 (China); Ma, Huiyuan, E-mail: mahy017@163.com [Key Laboratory of Green Chemical Engineering and Technology of College of Heilongjiang Province, College of Chemical and Environmental Engineering, Harbin University of Science and Technology, Harbin 150040 (China); Yu, Jia [Key Laboratory of Green Chemical Engineering and Technology of College of Heilongjiang Province, College of Chemical and Environmental Engineering, Harbin University of Science and Technology, Harbin 150040 (China); College of Aerospace and Civil Engineering, Harbin Engineering University, Harbin 150001 (China); Zhang, Zhuanfang; Niu, Ying [Key Laboratory of Green Chemical Engineering and Technology of College of Heilongjiang Province, College of Chemical and Environmental Engineering, Harbin University of Science and Technology, Harbin 150040 (China); Yin, Mingming [Jiamusi Electric Machine Co., Ltd., 766 Guangfu Road, Jiamusi City 154002 (China)

    2016-03-15

    With tuning the ligands from bte, btp, btb to bth, four new decavanadate-based metal–organic hybrid compounds, [Zn(bte)(H{sub 2}O){sub 4}][Zn{sub 2}(bte)(H{sub 2}O){sub 10}](V{sub 10}O{sub 28})·8H{sub 2}O, [Zn{sub 2}(btp){sub 4}(H{sub 2}O){sub 6}](H{sub 2}V{sub 10}O{sub 28})·4H{sub 2}O, [Zn(H{sub 2}O){sub 6}][Zn{sub 2}(btb){sub 2}V{sub 10}O{sub 28}(H{sub 2}O){sub 6}]·4H{sub 2}O, and [Zn{sub 2}(bth)(H{sub 2}O){sub 10}](H{sub 2}V{sub 10}O{sub 28})·6H{sub 2}O (bte=1,2-bis(1,2,4-triazol-1-yl)ethane, btp=1,3-bis(1,2,4-triazol-1-y1)propane, btb=1,4-bis(1,2,4-triazol-1-y1)butane, bth=1,6-bis(1,2,4-triazol-1-y1)hexane), have been synthesized under conventional conditions. The four compounds represent the first examples of decavanadate-based metal–organic hybrids constructed by Zn–bis(triazole) complexes. Their structural analyses show that the four compounds possess different Zn–bis(triazole) structural motifs and various finally structures, which verifies that regular changing the spacers of ligands is an effective strategy to tuning the structures of polyoxometalate-based hybrids. Also, the electrochemical studies show that the compounds have good electrocatalytic activities towards oxidation of nitrite molecules ascribed to V-centers. - Graphical abstract: Four compounds representing the first examples of V{sub 10}O{sub 28}-based hybrids constructed by Zn–bis(triazole) complexes have been synthesized by changing the spacers of the ligands and their electrocatalytic properties have been investigated. - Highlights: • The first examples of V{sub 10}O{sub 28}-based hybrids constructed by Zn-bis(triazole) complexes. • Verifying that changing the spacers of ligands is a strategy to tuning structures. • Showing good electrocatalytic activities toward oxidation of nitrite molecules.

  14. 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.

  15. 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.

  16. Multichromic Bis-Axially Extended Perylene Chromophore with Schiff Bases: Synthesis, Characterization and Electrochemical Studies.

    Science.gov (United States)

    Shabir, Ghulam; Saeed, Aamer; Arshad, Muhammad; Zahid, Muhammad

    2016-11-01

    In the present paper a novel way of symmetric conjugation extension along molecular axes of perylene dianhydride chromophore has been devised to achieve lengthy delocalized electronic species exhibiting red shifted absorption and emission of UV-Visible radiations. During synthetic pathway free amino Schiff bases of novel aldehydes with 4-amino acetanilide have been condensed with perylene dianhydride in quinoline at high temperature. Bis perylene diimide Schiff bases (5a-e) have been synthesized which showed absorption λmax at 461-526 nm and emission at 525-550 nm. Structures of newly obtained compounds have been confirmed by (1)H and (13)C-NMR studies. Cyclic voltammetric analysis of these dyes exhibited oxidation and reduction peaks which provide indirect evidence for their potential utility as n-type material for sensitization of semiconductors in solar cells. LUMO and HOMO energy levels were found in the range of -4.21 to -5.20 and -6.75 to -7.57 eV, respectively. Graphical Abstract Multi chromic bis-axially extended perylene chromophore with Schiff bases, synthesis characterization and electrochemical studies. Ghulam Shabir, Aamer Saeed, Muhammad Arshad and Muhammad Zahid.

  17. The ethylene bis-dithiocarbamate fungicide Mancozeb activates voltage-gated KCNQ2 potassium channel.

    Science.gov (United States)

    Li, Ping; Zhu, Jin; Kong, Qingya; Jiang, Baifeng; Wan, Xia; Yue, Jinfeng; Li, Min; Jiang, Hualiang; Li, Jian; Gao, Zhaobing

    2013-06-07

    Mancozeb (manganese/zinc ethylene bis-dithiocarbamate) is an organometallic fungicide that has been associated with human neurotoxicity and neurodegeneration. In a high-throughput screen for modulators of KCNQ2 channel, a fundamental player modulating neuronal excitability, Mancozeb, was found to significantly potentiate KCNQ2 activity. Mancozeb was validated electrophysiologically as a KCNQ2 activator with an EC50 value of 0.92±0.23μM. Further examination showed that manganese but not zinc ethylene bis-dithiocarbamate is the active component for the positive modulation effects. In addition, the compounds are effective when the metal ions are substituted by iron but lack potentiation activity when the metal ions are substituted by sodium, signifying the importance of the metal ion. However, the iron (Fe(3+)) alone, organic ligands alone or the mixture of iron with the organic ligand did not show any potentiation effect, suggesting as the active ingredient is a specific complex rather than two separate additive or synergistic components. Our study suggests that potentiation on KCNQ2 potassium channels might be the possible mechanism of Mancozeb toxicity in the nervous system.

  18. 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.

  19. Synthesis and spectroscopic properties of some new difluoroboron bis-β-diketonate derivatives.

    Science.gov (United States)

    Pi, Yan; Wang, Dun-Jia; Liu, Hua; Hu, Yan-Jun; Wei, Xian-Hong; Zheng, Jing

    2014-10-15

    Six new bis-β-diketones (RCOCH2CO-C7H7N-COCH2COR) were synthesized from 3,5-diacetyl-2,6-dimethylpyridine via Claisen condensation with the corresponding esters, and then reacted with boron trifluoride etherate to afford difluoroboron bis-β-diketonate derivatives. Their spectroscopic properties were investigated by UV-vis, FTIR, (1)H NMR and fluorescence spectroscopic techniques. It was found that these boron complexes exhibited violet or blue fluorescence emission at 422-445nm and possessed high extinction coefficients. The results indicate that the extending π-conjugation can increase the fluorescence intensity and quantum yield for these boron complexes. Especially, the compound 2b displayed the stronger fluorescence intensity and the highest fluorescence quantum yield (Φu=0.94) in these boron compounds. However, compounds 2c and 2d had the lower fluorescence intensity and quantum yield as a result of the heavy atom effect of the chlorine atom in the molecules.

  20. Ne bis in idem: a separation of acts in transnational cases?

    Directory of Open Access Journals (Sweden)

    Némedi Márk

    2015-11-01

    Full Text Available This paper analyses the case-law of the European Court of Justice on the substantive scope of ne bis in idem in transnational cases and evaluates the findings in light of the different concepts of legal interests inherent in the concept of crime as a material notion. I argue that the application of the interpretation of the ECJ to crimes against collective interests is insufficiently justified. As a result, the interpretation of ne bis in idem based on material facts appears only partially correct and a sense of distrust seems to be cemented between member states creating obstacles to a successful reform of the principle. Part one attempts to defend that the reasoning put forward by the court lacks relevance and evaluates how this affects mutual trust. Part two analyses this interpretation in the light of different forms of legal interest. Part three examines how later case-law has tried to explain the problematic interpretation of early cases and its relationship with the Charter of Fundamental Rights of the European Union. The article will conclude by summarising the findings which may put into perspective the more general challenges of cooperation in criminal matters within the EU.

  1. Degradation of the blister agent sulfur mustard, bis(2-chloroethyl) sulfide, on concrete

    Energy Technology Data Exchange (ETDEWEB)

    Brevett, Carol A.S. [GEO-CENTERS Operations, SAIC, Gunpowder Branch, P.O. Box 68, APG, MD 21010-0068 (United States)]. E-mail: carol.brevett@us.army.mil; Sumpter, Kenneth B. [CDR USA RDECOM, ATTN: AMSRD-ECB-RT-PD, 5183 Blackhawk Road, Aberdeen Proving Ground, MD 21010-5424 (United States)]. E-mail: kenneth.sumpter@us.army.mil; Wagner, George W. [CDR USA RDECOM, ATTN: AMSRD-ECB-RT-PD, 5183 Blackhawk Road, Aberdeen Proving Ground, MD 21010-5424 (United States)]. E-mail: george.wagner@us.army.mil; Rice, Jeffrey S. [CDR USA RDECOM, ATTN: AMSRD-ECB-RT-PD, 5183 Blackhawk Road, Aberdeen Proving Ground, MD 21010-5424 (United States)]. E-mail: jeffrey.rice@us.army.mil

    2007-02-09

    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), {sup 1}H NMR, 2D {sup 1}H-{sup 13}C NMR and {sup 13}C solid state magic angle spinning (SSMAS) NMR. In situ and extraction experiments were performed. Sulfur mustard was detected in the in situ {sup 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 24 h. 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.

  2. 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.

  3. Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation.

    Science.gov (United States)

    Leclerc, Matthew C; Bayne, Julia M; Lee, Graham M; Gorelsky, Serge I; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J; Dixon, David A; Baker, R Tom

    2015-12-30

    Four perfluoroalkyl cobalt(III) fluoride complexes have been synthesized and characterized by elemental analysis, multinuclear NMR spectroscopy, X-ray crystallography, and powder X-ray diffraction. The remarkable cobalt fluoride (19)F NMR chemical shifts (-716 to -759 ppm) were studied computationally, and the contributing paramagnetic and diamagnetic factors were extracted. Additionally, the complexes were shown to be active in the catalytic fluorination of p-toluoyl chloride. Furthermore, two examples of cobalt(III) bis(perfluoroalkyl)complexes were synthesized and their reactivity studied. Interestingly, abstraction of a fluoride ion from these complexes led to selective formation of cobalt difluorocarbene complexes derived from the trifluoromethyl ligand. These electrophilic difluorocarbenes were shown to undergo insertion into the remaining perfluoroalkyl fragment, demonstrating the elongation of a perfluoroalkyl chain arising from a difluorocarbene insertion on a cobalt metal center. The reactions of both the fluoride and bis(perfluoroalkyl) complexes provide insight into the potential catalytic applications of these model systems to form small fluorinated molecules as well as fluoropolymers.

  4. 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.

  5. Design and Synthesis of Bis-thioureas Ligands for Pd-Catalyzed Heck Reaction

    Institute of Scientific and Technical Information of China (English)

    CHEN Wei; CHEN Ying-Chun; WU Yong

    2004-01-01

    The palladium-catalyzed arylation of olefins (the Heck reaction) is one of the most versatile tools for C-C bond formation in organic synthesis. Phosphine ligands are generally used to stabilize the reactive palladium intermediates, the air-sensitivity of phosphine ligands, however,places significant limits on their synthetic applications. Recently, Yang1 and we2 have reported Heck and Suzuki reactions of highly active arenediazonium salts and halides catalyzed by air-stable monothiourea-Pd complexes.In this presentation, we disclose our results on the design and synthesis of novel bis-thiourea ligands. We report that the bis-thiourea-Pd(0) complexes are highly air-, moisture- and thermally stable catalysts for Heck reactions of aryl halides. We tested the catalytic activity of their complexes with Pd (0) in the Heck reaction between iodobenzene and n-butyl acrylate. Our work shows that in NMP at 180℃, quantitative yield was achieved within 0.5h when 0.001mol% Pd was used (TOF up to 200,000). Furthermore, solvent-free condition can be applied in our catalytic system and very high TON (up to 1,000,000) is obtained within 12h.Further investigations aimed at clarification of the reaction scope are currently in progress.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. Organometallic mediated radical polymerization of vinyl acetate using bis(imino)pyridine vanadium trichloride complexes.

    Science.gov (United States)

    Perry, Mitchell R; Allan, Laura E N; Decken, Andreas; Shaver, Michael P

    2013-07-07

    The synthesis and characterization of one novel proligand and six novel vanadium(III) trichloride complexes is described. The controlled radical polymerization activity towards vinyl acetate of these, and eight other bis(imino)pyridine vanadium trichloride complexes previously reported, is investigated. Those complexes possessing variation at the N-aryl para-position with no steric protection offered by ortho-substituents (4 examples) result in poor control over poly(vinyl acetate) polymerization. Control is improved with increasing steric bulk at the ortho-position of the N-aryl substituent (4 examples) although attempts to increase steric bulk past isopropyl were unsuccessful. Synthesizing bis(imino)pyridine vanadium trichloride complexes with substituted imine backbones restores polymerization control when aliphatic substituents are used (4 examples) but ceases to make any drastic improvements on catalyst lifetime. Modification of the polymerization conditions is also investigated, in an attempt to improve the catalyst lifetime. Expansion of the monomer scope to include other vinyl esters, particularly those derived from renewable resources, shows promising results.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. Crystal structure of an eight-coordinate terbium(III ion chelated by N,N′-bis(2-hydroxybenzyl-N,N′-bis(pyridin-2-ylmethylethylenediamine (bbpen2− and nitrate

    Directory of Open Access Journals (Sweden)

    Thaiane Gregório

    2015-01-01

    Full Text Available The reaction of terbium(III nitrate pentahydrate in acetonitrile with N,N′-bis(2-hydroxybenzyl-N,N′-bis(pyridin-2-ylmethylethylenediamine (H2bbpen, previously deprotonated with triethylamine, produced the mononuclear compound [N,N′-bis(2-oxidobenzyl-κO-N,N′-bis(pyridin-2-ylmethyl-κNethylenediamine-κ2N,N′](nitrato-κ2O,O′terbium(III, [Tb(C28H28N4O2(NO3]. The molecule lies on a twofold rotation axis and the TbIII ion is eight-coordinate with a slightly distorted dodecahedral coordination geometry. In the symmetry-unique part of the molecule, the pyridine and benzene rings are both essentially planar and form a dihedral angle of 61.42 (7°. In the molecular structure, the N4O4 coordination environment is defined by the hexadentate bbpen ligand and the bidentate nitrate anion. In the crystal, a weak C—H...O hydrogen bond links molecules into a two-dimensional network parallel to (001.

  20. 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.

  1. Poly[[μ-1,4-bis(imidazol-1-ylmethylbenzene]bis(μ4-cyclohexane-1,4-dicarboxylatodinickel(II

    Directory of Open Access Journals (Sweden)

    Bing-Bing Li

    2009-08-01

    Full Text Available The structure of the polymeric title compound, [Ni2(C8H10O42(C14H14N4]n, features a five-coordinate NiII centre defined by four carboxylate O atoms from two different cyclohexane-1,4-dicarboxylate (chdc ligands and an N atom from one end of a 1,4-bis(imidazol-1-ylmethylbenzene (1,4-bix molecule. The NO4 coordination geometry is distorted square-pyramidal with the N atom in the apical position. Each end of the chdc ligand links pairs of NiII atoms into a paddle-wheel assembly, i.e. Ni2(O2CR′4. These are connected into rows owing to the bridging nature of the chdc ligands, and the rows are connected into a two-dimensional grid via the 1,4-bix ligands. The 1,4-bix ligand, which is disposed about a centre of inversion, is disorderd. Two positions of equal occupancy were discerned for the –H2C(C6H4CH2– residue.

  2. Poly[[μ2-1,4-bis(imidazol-1-ylmethylbenzene]bis(μ4-cyclohexane-1,4-dicarboxylatodicobalt(II

    Directory of Open Access Journals (Sweden)

    Qun-Di Yu

    2009-10-01

    Full Text Available In the title compound, [Co2(C8H10O42(C14H14N4]n, the two CoII atoms are both five-coordinated by four carboxylate O atoms, derived from two different cyclohexane-1,4-dicarboxylate (chdc ligands, and an N atom, derived from one end of a 1,4-bis(imidazol-1-ylmethylbenzene molecule (1,4-bix, in a distorted square-pyramidal environment. Each end of the chdc ligand links pairs of CoII atoms into a paddle-wheel assembly, i.e. Co2(O2CR′4; these are connected into rows because of the bridging nature of the chdc ligands, and the rows are further connected into a two-dimensional layer through the 1,4-bix ligands. The 1,4-bix ligand, which is disposed about a centre of inversion, is disorderd. Two positions were discerned for the –CH2(C6H4CH2– residue, with the major component having a site-occupancy factor of 0.512 (9.

  3. 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.

  4. catena-Poly[[[bis(N,N-dimethylformamideiron(II]-{μ-2,2′-bis(diphenylphosphinoyl-N,N′-[(1R,2R-cyclohexane-1,2-diyl]dibenzamide}] bis(perchlorate N,N-dimethylformamide disolvate

    Directory of Open Access Journals (Sweden)

    Christopher J. A. Daley

    2009-12-01

    Full Text Available The title extended solid coordination compound, {[Fe(C44H40N2O4P2(C3H7NO2](ClO42·2C3H7NO}n, was crystallized unexpectedly from the reaction mixture containing the Trost ligand (1R,2R-(+-1,2-diaminocyclohexane-N,N′-bis(2′-diphenylphosphinobenzoyl and Fe(ClO42·6H2O in a 1:1 ratio in dimethylformamide (DMF under reflux conditions. The polymeric complex is characterized by FeII metal centers that are coordinated by two oxidized Trost ligands, each coordinated in a bidentate fashion in a square plane, along with two DMF molecules above and below the plane [average Fe—ODMF = 2.086 (4 Å], forming an overall pseudo-octahedral geometry. The Trost ligand binds adjacent FeII centers, each FeII being bound through the O atom of one of the phosphine oxides [average Fe—OPPh2 = 2.115 (4 Å] and the carbonyl O atom of the adjacent amide [average Fe—Oamide = 2.192 (3 Å]. Disorder is observed in the co-solvated solvent: there are two DMF molecules per FeII centre, which were modeled as one DMF molecule with complete occupancy and the other being modeled in two positions with equal occupancy. Disorder was also observed with one of the perchlorate anions, which was modeled in two positions with 0.75:0.25 occupancy.

  5. Zinc Oxide Nanoparticles Catalyzed Condensation Reaction of Isocoumarins and 1,7-Heptadiamine in the Formation of Bis-Isoquinolinones

    OpenAIRE

    Varadhan Krishnakumar; Kesarla Mohan Kumar; Badal Kumar Mandal; Fazlur-Rahman Nawaz Khan

    2012-01-01

    The diversified bis-isoquinolinones were obtained in two steps, utilizing homophthalic acid and various acid chlorides providing 3-substituted isocoumarins in the first step which on further condensation with 1,7-heptadiamine involving C–N bond formation from the lactone in the presence of 10 mol% zinc oxide nanoparticles (ZnO NPs) (

  6. 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.

  7. Electronic states of the fluorophore 9,10-bis(phenylethynyl)anthracene (BPEA). A synchrotron radiation linear dichroism investigation

    DEFF Research Database (Denmark)

    Thulstrup, Peter Waaben; Jones, Nykola; Hoffmann, Søren Vrønning

    2013-01-01

    The electronic transitions of 9,10-bis(phenylethynyl)anthracene (BPEA) were investigated by synchrotron radiation linear dichroism (SRLD) spectroscopy in the range 20000–58000 cm1 (500–170 nm) on molecular samples aligned in stretched polyethylene. The investigation was supported by variable...

  8. 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...

  9. 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

  10. 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...

  11. Synthesis of Bis-N-squaramidoacids and their Applications to Asymmetric Reduction of Prochiral Ketone and Diketones

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    A series of novel bis-squaramidoacid ligands were prepared. Prochiral ketone and diketones were direct reduced by borane in the presence of these ligands giving secondary alcohol products with enantiomeric excesses up to 64.2% for ω-bromoacetophenone and 90.0% for 1, 6-diphenyl-1, 6-hexanedione.

  12. Junction formation of Cu3BiS3 investigated by Kelvin probe force microscopy and surface photovoltage measurements

    Directory of Open Access Journals (Sweden)

    Fredy Mesa

    2012-03-01

    Full Text Available Recently, the compound semiconductor Cu3BiS3 has been demonstrated to have a band gap of ~1.4 eV, well suited for photovoltaic energy harvesting. The preparation of polycrystalline thin films was successfully realized and now the junction formation to the n-type window needs to be developed. We present an investigation of the Cu3BiS3 absorber layer and the junction formation with CdS, ZnS and In2S3 buffer layers. Kelvin probe force microscopy shows the granular structure of the buffer layers with small grains of 20–100 nm, and a considerably smaller work-function distribution for In2S3 compared to that of CdS and ZnS. For In2S3 and CdS buffer layers the KPFM experiments indicate negatively charged Cu3BiS3 grain boundaries resulting from the deposition of the buffer layer. Macroscopic measurements of the surface photovoltage at variable excitation wavelength indicate the influence of defect states below the band gap on charge separation and a surface-defect passivation by the In2S3 buffer layer. Our findings indicate that Cu3BiS3 may become an interesting absorber material for thin-film solar cells; however, for photovoltaic application the band bending at the charge-selective contact has to be increased.

  13. Heterolytic OO bond cleavage: Functional role of Glu113 during bis-Fe(IV) formation in MauG.

    Science.gov (United States)

    Geng, Jiafeng; Huo, Lu; Liu, Aimin

    2017-02-01

    The diheme enzyme MauG utilizes H2O2 to perform oxidative posttranslational modification on a protein substrate. A bis-Fe(IV) species of MauG was previously identified as a key intermediate in this reaction. Heterolytic cleavage of the OO bond of H2O2 drives the formation of the bis-Fe(IV) intermediate. In this work, we tested a hypothesis that a glutamate residue, Glu113 in the distal pocket of the pentacoordinate heme of MauG, facilitates heterolytic OO bond cleavage, thereby leading to bis-Fe(IV) formation. This hypothesis was proposed based on sequence alignment and structural comparison with other H2O2-utilizing hemoenzymes, especially those from the diheme enzyme superfamily that MauG belongs to. Electron paramagnetic resonance (EPR) characterization of the reaction between MauG and H2O2 revealed that mutation of Glu113 inhibited heterolytic OO bond cleavage, in agreement with our hypothesis. This result was further confirmed by the HPLC study in which an analog of H2O2, cumene hydroperoxide, was used to probe the pattern of OO bond cleavage. Together, our data suggest that Glu113 functions as an acid-base catalyst to assist heterolytic OO bond cleavage during the early stage of the catalytic reaction. This work advances our mechanistic understanding of the H2O2-activation process during bis-Fe(IV) formation in MauG.

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

    NARCIS (Netherlands)

    Vervaele, J.A.E.

    2005-01-01

    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 id

  15. Rhodium(II)-Alkynyl Carbenoids Insertion into Si-H bonds: An Entry to Propargylic Geminal Bis(silanes).

    Science.gov (United States)

    Courant, Thibaut; Kumar, Rahul; Turcaud, Serge; Micouin, Laurent

    2016-10-07

    α-Alkynyl-α'-trimethylsilylhydrazones are used as novel Rh(II)-carbenoids precursors. These new carbenoids have shown very good reactivity in Si-H insertion reactions, leading to original propargylic geminal-bis(silanes) in a two-step sequential process.

  16. Synthesis and Antimicrobial Studies of New Series of Pyrazoline Bearing Bis-Heterocycles via 1,3-Dipolar Cycloaddition Reactions

    Directory of Open Access Journals (Sweden)

    B. Jayashankara

    2008-01-01

    Full Text Available Biologically interesting bis-heterocycles bearing pyrazoline and imidazole moieties have been synthesized. 1H NMR, 13C NMR, IR and elemental analyses characterized the newly synthesized compounds. All the synthesized compounds were evaluated for their antimicrobial activity and were compared with the standard drugs. All the compounds demonstrated potent to weak antimicrobial activity.

  17. Synthesis of Bis(1,2-Dimethylimidazole)Copper(I)Hexafluorophosphate: An Experiment Using a Glove Box

    Science.gov (United States)

    Niewahner, J. H.; Walters, Keith A.

    2007-01-01

    A detailed description of the synthesis of bis(1,2-dimethylimidazole)copper(I) hexafluorophosphate by using techniques in a glove box is presented. The results shows that the synthesis of the copper complex has a distinct color change indicating by-product oxidation by oxygen.

  18. Synthesis and Characterization of novel 6-[3,5-bis(trifluoromethylphenyl]-4-(substitutedphenyl-1,4-dihydropyrimidin-2-ol

    Directory of Open Access Journals (Sweden)

    Kartik Vyas

    2012-07-01

    Full Text Available Synthesis of various pyrimidines 3(a-o from (E-1-(3,5-bis(trifluoromethylphenyl-3-(substitutedphenylprop-2-en-1-one and Urea in presence of NaOH. The structures of the synthesized compounds were confirmed on the basis of spectral and elemental analysis. The synthesized compounds were screened for antimicrobial activity.

  19. Synthesis and Mesomorphic Behavior of 3-Alkyl-2,5-bis [p-(hexa-2, 4-dienoyloxy) phenyl] -Thiophene Derivatives

    Institute of Scientific and Technical Information of China (English)

    CHENG,Xiao-Hong; DONG,Xing; ZHENG,Tao; YE,Hui; WEI,Guang-Hui

    2008-01-01

    3-Alkyl-2,5-bis[p-(hexa-2,4-dienoyloxy)phenyl]-thiophene derivatives were synthesized by using Kumada coupling and Suzuki coupling reactions as key steps. The thermotropic liquid crystalline behavior of these compounds was investigated by optical polarized microscopy, monotropic nematic mesophases were observed in such compounds.

  20. 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

  1. Multi-level approach to anaesthetic effects produced by sevoflurane or propofol in humans: 1. BIS and blink reflex.

    NARCIS (Netherlands)

    Mourisse, J.M.J.; Lerou, J.G.C.; Struys, M.; Zwarts, M.J.; Booij, L.H.D.J.

    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 (R1). The

  2. Junction formation of Cu3BiS3 investigated by Kelvin probe force microscopy and surface photovoltage measurements

    Science.gov (United States)

    Mesa, Fredy; Chamorro, William; Vallejo, William; Baier, Robert; Dittrich, Thomas; Grimm, Alexander; Lux-Steiner, Martha C

    2012-01-01

    Summary Recently, the compound semiconductor Cu3BiS3 has been demonstrated to have a band gap of ~1.4 eV, well suited for photovoltaic energy harvesting. The preparation of polycrystalline thin films was successfully realized and now the junction formation to the n-type window needs to be developed. We present an investigation of the Cu3BiS3 absorber layer and the junction formation with CdS, ZnS and In2S3 buffer layers. Kelvin probe force microscopy shows the granular structure of the buffer layers with small grains of 20–100 nm, and a considerably smaller work-function distribution for In2S3 compared to that of CdS and ZnS. For In2S3 and CdS buffer layers the KPFM experiments indicate negatively charged Cu3BiS3 grain boundaries resulting from the deposition of the buffer layer. Macroscopic measurements of the surface photovoltage at variable excitation wavelength indicate the influence of defect states below the band gap on charge separation and a surface-defect passivation by the In2S3 buffer layer. Our findings indicate that Cu3BiS3 may become an interesting absorber material for thin-film solar cells; however, for photovoltaic application the band bending at the charge-selective contact has to be increased. PMID:22497001

  3. 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,...

  4. A New Synthetic Route for 3,3'-Bis(fluorodinitromethyl)difurazanyl Ether (FOF-13) and Its Energetic Properties

    Science.gov (United States)

    Zhai, Lianjie; Wang, Bozhou; Xu, Kangzheng; Huo, Huan; Liu, Ning; Li, Yanan; Li, Hui; Lian, Peng; Fan, Xuezhong

    2016-01-01

    A new protocol for preparation of 3,3-bis(fluorodinitromethyl)difurazanyl ether (FOF-13) was developed. It involves (i) nitration of 3,3'-bis(chlorohydroxyminomethyl)difurazanyl ether with N2O5/MeCN to give 3,3-bis(chlorodinitromethyl)difurazanyl ether (4), (ii) reduction of 4 with KI/MeOH to obtain potassium salt of 3,3'-bis(dinitromethyl)difurazanyl ether (6) and (iii) fluorination of 6 with XeF2 in anhydrous acetonitrile to form the desired FOF-13. FOF-13 was fully characterized by IR, 13C NMR, 19F NMR, and elemental analysis. FOF-13 exhibits excellent physicochemical and detonation properties, such as high density (1.91 g cm‒3), good thermal stability, reasonable impact sensitivity (14 J) and friction sensitivity (64%), high measured detonation velocity (8497 m s‒1 at 1.69 g cm‒3). Furthermore, the precursors 4 and 6 were developed for the first time.

  5. Organotrifluoroborates as attractive self-assembling systems: the case of bifunctional dipotassium phenylene-1,4-bis(trifluoroborate).

    OpenAIRE

    Falcicchio, Aurelia; Nilsson Lill, Sten O.; Perna, Filippo M.; Salomone, Antonio; Coppi, Donato I.; Cuocci, Corrado; Stalke, Dietmar; Capriati, Vito

    2015-01-01

    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.

  6. 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.

  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. PMID:27766225

  8. 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)

  9. Characterization and biological studies of bis- and tera-acetyl derivatives of hydrocarbon-bridged diamines-I.

    Science.gov (United States)

    Haque, Naheed; Hussain, Izhar

    2013-01-01

    A systematic study of the pharmaceutically important, double ended, chelating agents of the types CH(3)CONH(CH(2))nNHCOCH(3) and (CH(3)CO)(2)N(CH(2))n N(COCH(3))(2), where n= 2, 3, 4, 5 and 6, prepared by the bis- and tetra-acetylation of the corresponding diamino-polymethylenes, have been carried out. Bis- and tertra-acetyl derivatives have been characterized by their elemental analysis and the FTIR spectra, Mass spectra and H-NMR spectra of these compounds have been reported to establish their structures. In the present work, FTIR spectra have been found an excellent means for distinguishing the bis-acetyl derivatives from their tetra-acetyl counterparts. The structures of these bis- and tetra-acetyl compounds have further been established by their H-NMR and Mass Spectra. The selective pharmacological screening of the derivatives was carried out according to the standard procedures. The compounds were screened for their antibacterial and antifungal activities and it was found that majority of these compounds did not possess any remarkable activity. Only the compound BA1,2-DAE, showed significant antifungal activity against Microsporum canis (80%).

  10. New chiral diamino-bis(tert-thiophene): an effective ligand for Pd- and Zn-catalyzed asymmetric transformations.

    Science.gov (United States)

    Bandini, Marco; Melucci, Manuela; Piccinelli, Fabio; Sinisi, Riccardo; Tommasi, Simona; Umani-Ronchi, Achille

    2007-11-21

    Enantiomerically pure diamino-bis(tert-thiophene) proved to be a valuable and flexible chiral ligand for Pd- and Zn-catalyzed transformations, allowing for high levels of stereocontrol in asymmetric allylic alkylation (ee up to 99%) and hydrosilylations of prochiral carbonyls (ee up to 97%).

  11. π-Core tailoring for new high performance thieno(bis)imide based n-type molecular semiconductors.

    Science.gov (United States)

    Durso, Margherita; Gentili, Denis; Bettini, Cristian; Zanelli, Alberto; Cavallini, Massimiliano; De Angelis, Filippo; Grazia Lobello, Maria; Biondo, Viviana; Muccini, Michele; Capelli, Raffaella; Melucci, Manuela

    2013-05-14

    The synthesis and characterization of two thieno(bis)imide based n-type semiconductors with electron mobilities of up to 0.3 cm(2) V(-1) s(-1) are described. The relationships between the electronic features of the π-inner core and the functional properties of the new materials are also discussed.

  12. Corrosion Inhibition Effect of 4-(2-Diethylamino-Ethylsulfonyl-Phthalonitrile and 4,5-Bis(Hexylsulfonyl-Phthalonitrile

    Directory of Open Access Journals (Sweden)

    Esma Sezer

    2011-01-01

    Full Text Available Inhibition of stainless steel corrosion in a 3.0 M NaCl solution by 4-(2-diethylamino-ethylsulfanyl-phthalonitrile (DAESPN and 4,5-bis(hexylsulfonyl-phthalonitrile (Bis-HSPN was investigated by polarization and electrochemical impedance spectroscopy (EIS measurements. The values of cathodic (βc and anodic (βa Tafel slopes, corr, corr, corrosion rate (CR, and inhibition efficiences (IE% obtained from polarization curves and polarization resistance (P, double-layer capacitance (dl, specific capacitance (sp values were obtained from EIS. Double-layer capacitance differences in the presence and absence of inhibitors were also obtained from EIS measurements as suggested in the literature in order to investigate the interaction of them with metal surface. Results show that both DAESPN and Bis-HSPN are effective in cathodic reaction. Impedance measurements suggest higher surface coverage for DAESPN. The interaction between the inhibitor and the stainless steel was investigated by the adsorption isotherm. Langmuir adsorption isotherm ads was applied and Δ values were obtained and found as 4.32×10−4, 1.17×10−4 and 9.2 kJ, 12.5 kJ for DAESPN and Bis-HSPN, respectively, which suggests the electrostatic interaction between charged metal surface and charged organic molecules.

  13. RuBisCO in Non-Photosynthetic Alga Euglena longa: Divergent Features, Transcriptomic Analysis and Regulation of Complex Formation.

    Directory of Open Access Journals (Sweden)

    Kristína Záhonová

    Full Text Available Euglena longa, a close relative of the photosynthetic model alga Euglena gracilis, possesses an enigmatic non-photosynthetic plastid. Its genome has retained a gene for the large subunit of the enzyme RuBisCO (rbcL. Here we provide new data illuminating the putative role of RuBisCO in E. longa. We demonstrated that the E. longa RBCL protein sequence is extremely divergent compared to its homologs from the photosynthetic relatives, suggesting a possible functional shift upon the loss of photosynthesis. Similarly to E. gracilis, E. longa harbors a nuclear gene encoding the small subunit of RuBisCO (RBCS as a precursor polyprotein comprising multiple RBCS repeats, but one of them is highly divergent. Both RBCL and the RBCS proteins are synthesized in E. longa, but their abundance is very low compared to E. gracilis. No RBCS monomers could be detected in E. longa, suggesting that processing of the precursor polyprotein is inefficient in this species. The abundance of RBCS is regulated post-transcriptionally. Indeed, blocking the cytoplasmic translation by cycloheximide has no immediate effect on the RBCS stability in photosynthetically grown E. gracilis, but in E. longa, the protein is rapidly degraded. Altogether, our results revealed signatures of evolutionary degradation (becoming defunct of RuBisCO in E. longa and suggest that its biological role in this species may be rather unorthodox, if any.

  14. RuBisCO in Non-Photosynthetic Alga Euglena longa: Divergent Features, Transcriptomic Analysis and Regulation of Complex Formation

    Science.gov (United States)

    Záhonová, Kristína; Füssy, Zoltán; Oborník, Miroslav; Eliáš, Marek

    2016-01-01

    Euglena longa, a close relative of the photosynthetic model alga Euglena gracilis, possesses an enigmatic non-photosynthetic plastid. Its genome has retained a gene for the large subunit of the enzyme RuBisCO (rbcL). Here we provide new data illuminating the putative role of RuBisCO in E. longa. We demonstrated that the E. longa RBCL protein sequence is extremely divergent compared to its homologs from the photosynthetic relatives, suggesting a possible functional shift upon the loss of photosynthesis. Similarly to E. gracilis, E. longa harbors a nuclear gene encoding the small subunit of RuBisCO (RBCS) as a precursor polyprotein comprising multiple RBCS repeats, but one of them is highly divergent. Both RBCL and the RBCS proteins are synthesized in E. longa, but their abundance is very low compared to E. gracilis. No RBCS monomers could be detected in E. longa, suggesting that processing of the precursor polyprotein is inefficient in this species. The abundance of RBCS is regulated post-transcriptionally. Indeed, blocking the cytoplasmic translation by cycloheximide has no immediate effect on the RBCS stability in photosynthetically grown E. gracilis, but in E. longa, the protein is rapidly degraded. Altogether, our results revealed signatures of evolutionary degradation (becoming defunct) of RuBisCO in E. longa and suggest that its biological role in this species may be rather unorthodox, if any. PMID:27391690

  15. Reactivity studies of pincer bis-protic N-heterocyclic carbene complexes of platinum and palladium under basic conditions

    Directory of Open Access Journals (Sweden)

    David C. Marelius

    2016-06-01

    Full Text Available 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(iPr2 gave the lithium chloride adducts monobasic complex 7 or analogous dibasic complex 8.

  16. 40 CFR 721.1578 - 1,4-Benzenedicarboxylic acid, bis[[4-[(ethenyloxy)methyl] cyclohexyl] methyl] ester.

    Science.gov (United States)

    2010-07-01

    ... cyclohexyl] methyl] ester. 721.1578 Section 721.1578 Protection of Environment ENVIRONMENTAL PROTECTION...] methyl] ester. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as 1,4-benzenedicarboxylic acid, bis cyclohexyl] methyl] ester (PMN P-98-1164; CAS...

  17. 40 CFR 721.1576 - 1,3-Benzenedicarboxylic acid, bis[[4-[(ethenyloxy)methyl] cyclohexyl] methyl] ester.

    Science.gov (United States)

    2010-07-01

    ... cyclohexyl] methyl] ester. 721.1576 Section 721.1576 Protection of Environment ENVIRONMENTAL PROTECTION...] methyl] ester. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as 1,3-benzenedicarboxylic acid, bis cyclohexyl] methyl] ester (PMN P-98-1162; CAS...

  18. [The influence of intermittent hemodialysis (HD) on bispectral index (scale) (BIS) and serum propofol concentration under postoperative intravenous sedation].

    Science.gov (United States)

    Tatebayashi, Shigeru; Imai, Yuichiro; Ohgi, Kazuhiko; Tamaki, Shigehiro; Yamamoto, Kazuhiko; Takahashi, Masahiro; Kurehara, Koukichi; Furuya, Hitoshi; Kirita, Tadaaki

    2004-05-01

    We experienced a case of postoperative intravenous sedation with propofol during intermittent hemodialysis (HD), and investigated the correlation between the clinical sedation level based on bispectral index scale (BIS) together with Ramsay score, and the serum concentration of propofol. One adult oral cancer patient (carcinoma of the lower gingiva) with end-stage renal dysfunction needing HD was selected for this study. The day after operation, HD was commenced under intravenous sedation with propofol. Clinical sedation level was assessed using BIS and Ramsay score, and serum propofol concentrations were determined in arterial blood samples. Serum concentrations were measured every 15 times until 51 hours after operation. The initial dose of propofol was set at 3.5 mg x kg(-1) x h(-1) on the basis of clinical symptoms. According to BIS and Ramsay score, sedation level decreased lineally for 1 hour after commencement of HD. In contrast, serum propofol concentration incresed from 1.71 microg x ml(-1) to 2.21 microg x ml(-1). Total serum concentration of propofol was enhanced during HD because of dialytic dehydration, but, according to BIS and Ramsay scores, the possibility was suggested that the fraction of albmin-unbound propofol with pharmacological activities was eliminated or absorbed by membrane during HD.

  19. 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

  20. 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.