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Sample records for coii tetra penta

  1. Tris(bis(trimethylsilyl)amido)uranium: Compounds with tri-, tetra-, and penta-valent uranium

    SciTech Connect

    Stewart, J.L.

    1988-04-01

    This trivalent uranium compound, serves as a precursor to new tri-, tetra-, and penta-valent uranium species. The geometry about the U atom is pyramidal. Lewis-base coordination compounds of U(N(SiMe/sub 3/)/sub 2/)/sub 3/ with a one-to-one- ratio of Lewis base to uranium were isolated with pyridine, 4-dimethylamino-pyridine, 2,6-Me/sub 2/-C/sub 6/H/sub 3/NC, and TPO. Two-to-one coordination compounds were obtained with t-butylnitrile and t-butylisocyanide. Compounds with more sterically demanding bases could not be isolated. The expected decrease in U-N(SiMe/sub 3/)/sub 2/ bond length with increase in oxidation state is not observed. Reaction of ClU(N(SiMe/sub 3/)/sub 2/)/sub 3/and Li(NH(p-tolyl)) yields the uranium (IV) dimer, U/sub 2/(N(SiMe/sub 3/)/sub 2/)/sub 4/(..mu..-N(p-tolyl))/sub 2/. Reaction with 2,4,6-triemethylaniline produces a dimer. Analogous substitution products could not be obtained with aniline or p-toluidine. t-Bu/sub 3/CO/sup /minus//, t-Bu/sub 2/CHO/sup /minus//, and t-Bu/sub 3/SiO/sup /minus// are used to synthesize new tetravalent, mononuclear uranium compounds. Reaction of ClU(tritox)/sub 3/ with alkyllithium reagents leads to isolation of RU(tritox)/sub 3/. The reaction of U(ditox)/sub 4/ with MeLi affords the addition product U(ditox)/sub 4/(Me)Li, whose crystal structure is described. Preparation of uranium silox compounds is reported. 97 refs., 26 figs., 39 tabs.

  2. Electron-Vibrational Coupling and Fluorescence Spectra of Tetra-, Penta-, and Hexacoordinated Chlorophylls c1 and c2.

    PubMed

    Etinski, Mihajlo; Petković, Milena; Ristić, Miroslav M; Marian, Christel M

    2015-08-13

    Chlorophylls (Chls) are a group of pigments related to light absorption, excitation energy, and electron transfer in photosynthetic complexes. Given the importance of intramolecular nuclear motion for these electronic processes, many experimental studies were performed in order to relate its coupling to electronic coordinates of these pigments, but a detailed analysis is still lacking for isolated Chls c1 and c2. To gain insight into the intramolecular motion and fluoroscence spectra of these two pigments in tetra-, penta-, and hexacoodinated states, we performed a quantum chemical study based on density functional theory and multimode harmonic approximation with displaced, distorted, and rotated normal modes. In order to benchmark the employed methods, we simulated the high-resolution fluorescence spectra of tetracoodinated Chls a, b, and d and compared them with available experimental spectra obtained with fluorescence line-narrowing techniques. Although the experimental spectra were obtained for ligand coordinated Chls, qualitatively good agreement was found between the simulated and experimental spectra. Almost all resonances were reproduced in the spectroscopically interesting region from 200 to 1700 cm(-1). The significance of mode distortion and rotation for the simulated spectra is discussed. The fluorescence spectra of Chls c1 and c2 consist of a group of peaks in the 200-450 cm(-1) spectral range, a group of weak peaks from 700 to 1000 cm(-1), and a large group of strong peaks from 1100 to 1600 cm(-1). Ligand effects are also addressed, and a mode is identified as a sensitive probe for the coordination state of Chls c1 and c2. PMID:26189597

  3. Trichlorido-1κ2 Cl,2κCl-(2,6-dimethyl­phenolato-2κO)-μ-oxido-bis{1,2(η5)-2,3,4,5-tetra­methyl-1-[4-(trimethyl­silyl)phen­yl]cyclo­penta­dien­yl}dititanium(IV)

    PubMed Central

    Luo, Xuyang; Wu, Qiaolin; Mu, Ying

    2011-01-01

    The title dinuclear titanocene, [Ti2(C8H9O)(C18H25Si)2Cl3O], contains one Ti atom tetra­hedrally coordinated by two Cl atoms, a bridging O atom and the substituted cyclo­penta­dienyl ligand, and another Ti atom tetra­hedrally coordinated by a Cl atom, a bridging O atom, the 2,6-dimethyl­phenolate ligand and the substituted cyclo­penta­dienyl ligand. The bridging O atom lies on a twofold rotation axis. PMID:22064795

  4. Crystal structure of 1,1,2,2-tetra­methyl-1,2-bis­(2,3,4,5-tetra­methyl­cyclo­penta-2,4-dien-1-yl)disilane

    PubMed Central

    Godemann, Christian; Spannenberg, Anke; Beweries, Torsten

    2015-01-01

    The mol­ecular structure of the title compound, C22H38Si2, features a trans arrangement of the cyclo­penta­dienyl rings to avoid steric strain [C—Si—Si—C torsion angle = −179.0 (5)°]. The Si—Si bond length is 2.3444 (4) Å. The most notable inter­molecular inter­actions in the mol­ecular packing are C—H⋯π contacts that lead to the formation of wave-like supra­molecular chains along the b axis. PMID:26594581

  5. Crystal structure of 1,1,2,2-tetra-methyl-1,2-bis-(2,3,4,5-tetra-methyl-cyclo-penta-2,4-dien-1-yl)disilane.

    PubMed

    Godemann, Christian; Spannenberg, Anke; Beweries, Torsten

    2015-11-01

    The mol-ecular structure of the title compound, C22H38Si2, features a trans arrangement of the cyclo-penta-dienyl rings to avoid steric strain [C-Si-Si-C torsion angle = -179.0 (5)°]. The Si-Si bond length is 2.3444 (4) Å. The most notable inter-molecular inter-actions in the mol-ecular packing are C-H⋯π contacts that lead to the formation of wave-like supra-molecular chains along the b axis. PMID:26594581

  6. Bis[1,2-bis­(meth­oxy­carbon­yl)ethene-1,2-dithiol­ato-κ2 S,S′]bis­(η5-penta­methyl­cyclo­penta­dien­yl)tetra-μ3-sulfido-tetra­iron(4 Fe–Fe) hexa­fluoridophosphate

    PubMed Central

    Inomata, Shinji; Ito, Shohei; Takase, Tsugiko

    2013-01-01

    The asymmetric unit of the title compound, [Fe4(C6H6O4S2)2(C10H15)2S4]PF6, contains two different complex cations and two PF6 − anions. The two complex cations have similar conformations with the butterfly-like Fe4S4 core surrounded by two penta­methyl­cyclo­penta­dienyl ligands and the S atoms of two dithiol­ate ligands. In each Fe4S4 core, there are four short Fe—Fe and two long Fe⋯Fe contacts, suggesting bonding and non-bonding inter­actions, respectively. The Fe—S distances range from 2.1287 (13) to 2.2706 (16) Å for one and from 2.1233 (13) to 2.2650 (16) Å for the other Fe4S4 core. The Fe—S distances involving the dithiol­ate ligands are in a more narrow range [2.1764 (16)–2.1874 (13) Å for one and 2.1743 (14)–2.1779 (16) Å for the other cation]. There are no significant inter­actions between cations and anions. PMID:23634019

  7. Trichlorido{2-[2-(η5-cyclo­penta­dien­yl)-2-methyl­prop­yl]-1-trimethyl­silyl-1H-imidazole-κN 3}titanium(IV) tetra­hydro­furan hemisolvate

    PubMed Central

    Ge, Fang; Nie, Wanli; Borzov, Maxim V.; Churakov, Andrei V.

    2010-01-01

    The title compound, [Ti(C15H23N2Si)Cl3]·0.5C4H8O, has been prepared from {2-[2-(η5-cyclo­penta­dien­yl)-2-methyl­prop­yl]-1H-imidazolyl-κN 1}bis­(N,N-diethyl­amido-κN)titanium(IV), (C12H14N2)Ti(NEt2)2, by reaction with excess of Me3SiCl in tetra­hydro­furan (THF) at 353 K. The crystal structure contains THF as adduct solvent, disordered around a center of inversion. The presence of THF and the adduct ratio has been independently supported by 1H NMR spectroscopy. The coordination polyhedron of the Ti atom is distorted square-pyramidal, assuming the cyclo­penta­dienyl (Cp) ring occupies one coordination site. The Ti, Si and CH2 group C atoms only deviate slightly from the imidazole ring plane [by 0.021 (4), 0.133 (4) and 0.094 (4) Å, respectively]. Comparison of the principal geometric parameters with those of the few known structurally characterized analogues reveal small differences in bond lengths and angles at the Ti atom. The title complex is only stable in THF-d 8 in the presence of excess Me3SiCl, otherwise it exists in an equilibrium with equimolar amounts of dichlorido{2-[2-(η5-cyclo­penta­dien­yl)-2-methyl­prop­yl]-1H-imidazolyl-κN 3}titanium(IV) and chloro­trimethyl­silane. PMID:21579034

  8. Anhydrous polymeric zinc(II) penta­noate

    PubMed Central

    Taylor, Richard A.; Ellis, Henry A.

    2008-01-01

    The structure of the title compound, poly[di-μ-penta­noato-zinc(II)], [Zn{CH3(CH2)3COO}2]n, consists of a three-dimensional polymeric layered network with sheets parallel to the (100) plane, in which tetra­hedrally coordinated zinc(II) ions are connected by penta­noate bridges in a syn–anti arrangement. The hydro­carbon chains are in the fully extended all-trans conformation and are arranged in a tail-to-tail double bilayer. PMID:21202761

  9. (μ3-Hydrido)[μ3-2-(tri-methyl-sil-yl)ethyl-idyne-κ(3) C (1):C (1):C (1)]tetra-kis-[(η(5)-cyclo-penta-dien-yl)cobalt(II)].

    PubMed

    Haehnel, Martin; Spannenberg, Anke; Rosenthal, Uwe

    2013-11-01

    In the title compound, [Co4(C5H5)4(μ3-CCH2SiMe3)(μ3-H)], the Co atoms form a distorted tetra-hedron with the ethyl-idyne moiety bridging three of the Co atoms as well as the hydrido ligand also bridging three of the Co atoms. The Co-Co bond lengths in the Co4 tetrahedron vary from 2.3844 (4) to 2.4608 (4) Å. Each Co atom is additionally η(5)-bonded to a cyclopentadienyl (Cp) anion. PMID:24454164

  10. Bis(tetra­butyl­ammonium) [2-(eth­oxy­carbony)phenyl­imido]-μ6-oxido-dodeca-μ2-oxido-penta­oxidohexa­molybdenum diethyl ether hemisolvate

    PubMed Central

    Wang, Manxiang; Tao, Shikai; Guo, Jing; Hao, Jian; Li, Qiang

    2012-01-01

    In the title complex, [(C4H9)4N]2[Mo6O18(C9H9NO2)]·0.5C4H10O, the aryl­imido ligand is linked to an Mo atom of the Lindqvist-type polyoxidometalate anion by an Mo N bond of 1.726 (4) Å. The Mo N—C angles are 160.7 (5) and 167.6(5)° because of disorder affecting the aryl group, and is typical for the imido monodentate behaviour described in analogous hybrids. Light components of the structure are extensively disordered. The aryl ester group is disordered over two positions with occupancies refined to 0.559 (3) and 0.441 (3). Both independent tetra­butyl­ammonium cations have butyl chains partially split over two sites, with occupancies as in the aryl group of the anion. Finally, the ether solvent mol­ecule is disordered around an inversion centre. In the crystal, cations and anions inter­act via C—H⋯O contacts, involving O atoms of the polyoxidometalate anion and the ester group of the aryl­imido ligand as acceptor groups. PMID:22807759

  11. Penta prism laser polarizer.

    PubMed

    Lotem, H; Rabinovitch, K

    1993-04-20

    A novel type of laser prism polarizer is proposed. The polarizer is characterized by a high transmission efficiency, a high optical damage threshold, and a high extinction ratio. The polarizer is shaped like a regular penta prism and, thus, it is a constant deviation angle device. Polarization effects occur upon the two internal cascade reflections in the prism. Anisotropic and Isotropic types of the polarizer are discussed. The isotropic polarizer is a prism made of a high refractive-index glass coated by multilayer polarization-type dielectric coatings. Efficient s-state polarization is obtained because of p-state leakage upon the two internal cascade reflections. The anisotropic polarizer is made of a birefringent crystal in which angular polarization splitting is obtained by the bireflectance (double-reflection) effect. Fanning of a laser beam into up to eight polarized beams is possible in a prism made of a biaxial crystal. PMID:20820335

  12. Bis(η(5)-penta-methyl-cyclo-penta-dien-yl)aluminium tetra-bromido-aluminate.

    PubMed

    Purdy, Andrew P; Dugger, Cherrelle; Butcher, Ray J

    2014-03-01

    The title compound, [Al(C10H15)2][AlBr4], was formed during the reduction of a mixture of Cp*AlBr2 and AlBr3. The Al(III) atoms of the two crystallographically independent cations each lie on an inversion center, and the [AlBr4](-) anions are on general positions. At 123 K, the structure exhibits disorder in two of the Br atoms of the [AlBr4](-) ion, with a ratio occupancy of 0.733 (6): 0.267 (3). In the crystal, there is possible weak hydrogen bonding between some methyl groups and Br atoms. The interactions link the moieties in a three-dimensional array. PMID:24764951

  13. (1'S,12'R,13'S,17'S)-15',15'-Dimethyl-1,2-dihydro-11',14',16',18'-tetra-oxa-7'-aza-spiro-[indole-3,8'-penta-cyclo-[10.6.0.0(2,9).0(3,7).0(13,17)]octa-deca-ne]-2,10'-dione.

    PubMed

    Sabari, V; Ponnusamy, R; Prasanna, R; Raghunathan, R; Aravindhan, S

    2013-04-01

    In the title compound, C22H24N2O6, the indole ring has a twist conformation and the tetra-hydro-2H-pyran-2-one ring a half-chair conformation. One of the pyrrolidine rings adopts an envelope conformation on the N atom, while the other has a twist conformation; the 'butterfly' angle between their mean planes is 62.98 (11)°. The dioxolane ring adopts a twist conformation and the tetra-hydro-furan ring has an envelope conformation on the C atom in the fused tetra-hydro-2H-pyran-2-one ring adjacent to the O atom of the tetra-hydro-furan ring. The 'butterfly' angle between the mean planes of these two five-membered rings is 69.14 (10)°. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, forming chains along the a axis. PMID:23634025

  14. Di-μ-chlorido-bis­{[μ-1,8-bis­(diisopropyl­phosphan­yl)-9,10-dihydro-9,10-ethano­anthracene-κ2 P:P′]-μ-chlorido-μ-methyl­idene-dipalladium(II)} tetra­hydro­furan penta­solvate

    PubMed Central

    Schnetz, Thomas; Rominger, Frank; Hofmann, Peter

    2010-01-01

    The title compound, [Pd4(CH2)2Cl4(C28H40P2)2]·5C4H8O, possesses a tetra­nuclear palladium core with four bridging chlorido ligands and two bridging methyl­ene units, as well as two bridging anthracene-based bis-phosphine ligands. This tetra­nuclear complex can be considered as being composed of two μ-chlorido-bridged LPd2 units. The structural motif of these LPd2 units shows two doubly bridged palladium centers between the P atoms of the bis-phosphine ligand. One of these bridges is a μ-Cl atom, the other a μ-methyl­ene group. The coordination environment around each palladium center is essentially square planar. We ascribe the oxidation state +II to the palladium centers and do not assume Pd—Pd bonds [shortest distances 2.8110 (5) and 2.8109 (6) Å]. Co-crystallized with the palladium complex we found five non-coordinating tetra­hydro­furan solvent mol­ecules, one of which is disordered over two positions in a 0.429 (9):0.571 (8) ratio. PMID:21580540

  15. Orally administered DTPA penta-ethyl ester for the decorporation of inhaled 241Am

    PubMed Central

    Sueda, Katsuhiko; Sadgrove, Matthew P.; Huckle, James E.; Leed, Marina G. D.; Weber, Waylon M.; Doyle-Eisele, Melanie; Guilmette, Raymond A.; Jay, Michael

    2014-01-01

    Diethylenetriaminepentaacetic acid (DTPA) is an effective decorporation agent to facilitate the elimination of radionuclides from the body, but its permeability-limited oral bioavailability limits its utility in mass-casualty emergencies. To overcome this limitation, a prodrug strategy using the penta-ethyl ester form of DTPA is under investigation. Pharmacokinetic and biodistribution studies were conducted in rats by orally administering [14C]DTPA penta-ethyl ester, and this prodrug and its hydrolysis products were analyzed as a single entity. Compared to a previous reporting of intravenously administered DTPA, the oral administration of this prodrug resulted in a sustained plasma concentration profile with higher plasma exposure and lower clearance. An assessment of the urine composition revealed that the bioactivation was extensive but incomplete, with no detectable levels of the penta- or tetra-ester forms. Tissue distribution at 12 h was limited, with approximately 73% of the administered dose being associated with the gastrointestinal tract. In the efficacy study, rats were exposed to aerosols of 241Am nitrate before receiving a single oral treatment of the prodrug. The urinary excretion of 241Am was found to be 19% higher than with the control. Consistent with prior reports of DTPA, the prodrug was most effective when the treatment delays were minimized. PMID:24619514

  16. Orally administered DTPA penta-ethyl ester for the decorporation of inhaled (241)Am.

    PubMed

    Sueda, Katsuhiko; Sadgrove, Matthew P; Huckle, James E; Leed, Marina G D; Weber, Waylon M; Doyle-Eisele, Melanie; Guilmette, Raymond A; Jay, Michael

    2014-05-01

    Diethylenetriaminepentaacetic acid (DTPA) is an effective decorporation agent to facilitate the elimination of radionuclides from the body, but its permeability-limited oral bioavailability limits its utility in mass-casualty emergencies. To overcome this limitation, a prodrug strategy using the penta-ethyl ester form of DTPA is under investigation. Pharmacokinetic and biodistribution studies were conducted in rats by orally administering [(14) C]DTPA penta-ethyl ester, and this prodrug and its hydrolysis products were analyzed as a single entity. Compared with a previous reporting of intravenously administered DTPA, the oral administration of this prodrug resulted in a sustained plasma concentration profile with higher plasma exposure and lower clearance. An assessment of the urine composition revealed that the bioactivation was extensive but incomplete, with no detectable levels of the penta- or tetra-ester forms. Tissue distribution at 12 h was limited, with approximately 73% of the administered dose being associated with the gastrointestinal tract. In the efficacy study, rats were exposed to aerosols of (241) Am nitrate before receiving a single oral treatment of the prodrug. The urinary excretion of (241) Am was found to be 19% higher than with the control. Consistent with prior reports of DTPA, the prodrug was most effective when the treatment delays were minimized. PMID:24619514

  17. Bis(μ2-iso-propyl-imido-κ(2) N:N)bis-[(η(5)-cyclo-penta-dien-yl)(ethenolato-κO)titanium(IV)].

    PubMed

    Haehnel, Martin; Spannenberg, Anke; Rosenthal, Uwe

    2014-01-01

    The title dinuclear half-sandwich complex, [CpTi(OCH=CH2)(μ2-N-iPr)]2 (Cp = cyclo-penta-dien-yl; iPr = isopropyl), was ob-tained from the reaction of Cp2TiCl2, n-butyl-lithium and iso-propyl-amine in tetra-hydro-furan. Each Ti(IV) atom is coordinated by one Cp ligand, one vin-yloxy unit and two bridging imido groups in a strongly distorted tetra-hedral geometry. There are two half mol-ecules in the asymmetric unit, such that whole mol-ecules being generated by inversion symmetry. PMID:24526944

  18. Penta-graphene: A new carbon allotrope.

    PubMed

    Zhang, Shunhong; Zhou, Jian; Wang, Qian; Chen, Xiaoshuang; Kawazoe, Yoshiyuki; Jena, Puru

    2015-02-24

    A 2D metastable carbon allotrope, penta-graphene, composed entirely of carbon pentagons and resembling the Cairo pentagonal tiling, is proposed. State-of-the-art theoretical calculations confirm that the new carbon polymorph is not only dynamically and mechanically stable, but also can withstand temperatures as high as 1000 K. Due to its unique atomic configuration, penta-graphene has an unusual negative Poisson's ratio and ultrahigh ideal strength that can even outperform graphene. Furthermore, unlike graphene that needs to be functionalized for opening a band gap, penta-graphene possesses an intrinsic quasi-direct band gap as large as 3.25 eV, close to that of ZnO and GaN. Equally important, penta-graphene can be exfoliated from T12-carbon. When rolled up, it can form pentagon-based nanotubes which are semiconducting, regardless of their chirality. When stacked in different patterns, stable 3D twin structures of T12-carbon are generated with band gaps even larger than that of T12-carbon. The versatility of penta-graphene and its derivatives are expected to have broad applications in nanoelectronics and nanomechanics. PMID:25646451

  19. Penta-graphene: A new carbon allotrope

    PubMed Central

    Zhang, Shunhong; Zhou, Jian; Wang, Qian; Chen, Xiaoshuang; Kawazoe, Yoshiyuki; Jena, Puru

    2015-01-01

    A 2D metastable carbon allotrope, penta-graphene, composed entirely of carbon pentagons and resembling the Cairo pentagonal tiling, is proposed. State-of-the-art theoretical calculations confirm that the new carbon polymorph is not only dynamically and mechanically stable, but also can withstand temperatures as high as 1000 K. Due to its unique atomic configuration, penta-graphene has an unusual negative Poisson’s ratio and ultrahigh ideal strength that can even outperform graphene. Furthermore, unlike graphene that needs to be functionalized for opening a band gap, penta-graphene possesses an intrinsic quasi-direct band gap as large as 3.25 eV, close to that of ZnO and GaN. Equally important, penta-graphene can be exfoliated from T12-carbon. When rolled up, it can form pentagon-based nanotubes which are semiconducting, regardless of their chirality. When stacked in different patterns, stable 3D twin structures of T12-carbon are generated with band gaps even larger than that of T12-carbon. The versatility of penta-graphene and its derivatives are expected to have broad applications in nanoelectronics and nanomechanics. PMID:25646451

  20. 3-Hy-droxy-2,2-bis-(1H-pyrazol-1-yl)-cyclo-penta-none.

    PubMed

    Rybakov, Victor B; Utkina, Anastasia A; Kurkin, Alexander V; Yurovskaya, Marina A

    2012-03-01

    The title compound, C(11)H(12)N(4)O(2), was unexpectedly obtained in the reaction of α,α'-disubstituted cyclo-penta-none with 1,1,3,3-tetra-meth-oxy-propane in the presence of dioxane saturated with HCl. It belongs to a previously unknown class of gem-bihetaryl ketones which may be useful for screening of new substances with biological activity. In the studied structure, the cyclo-penta-none moiety adopts an envelope conformation, with the hy-droxy-bearing C atom as the flap [deviation from basal plane = 0.643 (3) Å]. The dihedral angle between the two pyrazole rings is 80.02 (8)°. In the crystal, inversion dimers are formed via a pair of O-H⋯N hydrogen bonds. PMID:22412705

  1. (1′S,12′R,13′S,17′S)-15′,15′-Dimethyl-1,2-dihydro-11′,14′,16′,18′-tetra­oxa-7′-aza­spiro­[indole-3,8′-penta­cyclo­[10.6.0.02,9.03,7.013,17]octa­deca­ne]-2,10′-dione

    PubMed Central

    Sabari, V.; Ponnusamy, R.; Prasanna, R.; Raghunathan, R.; Aravindhan, S.

    2013-01-01

    In the title compound, C22H24N2O6, the indole ring has a twist conformation and the tetra­hydro-2H-pyran-2-one ring a half-chair conformation. One of the pyrrolidine rings adopts an envelope conformation on the N atom, while the other has a twist conformation; the ‘butterfly’ angle between their mean planes is 62.98 (11)°. The dioxolane ring adopts a twist conformation and the tetra­hydro­furan ring has an envelope conformation on the C atom in the fused tetra­hydro-2H-pyran-2-one ring adjacent to the O atom of the tetra­hydro­furan ring. The ‘butterfly’ angle between the mean planes of these two five-membered rings is 69.14 (10)°. In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds, forming chains along the a axis. PMID:23634025

  2. Calix receptor edifice; scrupulous turn off fluorescent sensor for Fe(III), Co(II) and Cu(II).

    PubMed

    Bhatt, Keyur D; Gupte, Hrishikesh S; Makwana, Bharat A; Vyas, Disha J; Maity, Debdeep; Jain, Vinod K

    2012-11-01

    Novel Supramolecular fluorescence receptor derived from calix-system i.e. calix[4]resorcinarene bearing dansylchloride as fluorophore was designed and synthesized. The compound was purified by column chromatography and characterized by elemental analysis, NMR and Mass spectroscopy. Tetradansylated calix[4] resorcinarene (TDCR) shows a boat conformation with C(2)v symmetry. The complexation behaviour of metal cations [Ag(I), Cd(II), Co(II), Fe(III), Hg(II), Cu(II), Pb(II), Zn(II), U(VI) (1 × 10(-4) M)] with tetra dansylated calix[4]resorcinarene (1 × 10(-6) M) was studied by spectophotometry and spectrofluorometry. Red shift in the absorption spectra led us to conclude that there is strong complexation Fe(III), Co(II) and Cu(II) with TDCR. These metal cations also produce quenching with red shifts in the emission spectra. The maximum quenching in emission intensity was observed in the case of Fe(III) and its binding constant was also found to be significantly higher than that of Co(II) and Cu(II). Quantum yield of metal complexes of Fe(III) was found to be lower in comparison with Co(II) and Cu(II) complexes. Stern Volmer analysis indicates that the mechanism of fluorescence quenching is either purely dynamic, or purely static. PMID:22739703

  3. Genetics Home Reference: tetra-amelia syndrome

    MedlinePlus

    ... Genetics Home Health Conditions tetra-amelia syndrome tetra-amelia syndrome Enable Javascript to view the expand/collapse ... Print All Open All Close All Description Tetra-amelia syndrome is a very rare disorder characterized by ...

  4. Tetra-μ2-acetato-tetraaquadi-μ3-oxido-octaoxidotetrauranium(VI) methanol disolvate tetrahydrate

    PubMed Central

    Sleem, Hisham; Georghiou, Paris; Dawe, Louise N.

    2011-01-01

    The centrosymmetric title tetra­mer, [U4(C2H3O2)4O10(H2O)4]·2CH4O, has a near planar core [maximum deviation from the least squares plane of 0.294 (6) Å]. It consists of two hexa­gonal–bipyramidally coordinated UVI atoms connected via μ2-O (acetate) and μ3-O (oxide) bridges in the equatorial plane to two penta­gonal–bipyramidally coordinated UVI atoms. The equatorial plane of each UVI atom is completed by a bound water mol­ecule, while the axial positions are occupied by uranyl (UO2)2+ O atoms. Multiple O—H⋯O hydrogen bonds are present, including a lattice methanol mol­ecule bound to one of the penta­gonal bipyramidal uranyl O atoms, as well as two different C 1 1(6) chains orginating from a donor water mol­ecule, via a uranyl oxygen acceptor and an acetate acceptor on different, adjacent tetra­mers. Finally, the unit cell contains four UVI tetra­mers, all connected by hydrogen bonding, forming a supra­molecular R 4 4(24) ring. PMID:22199642

  5. Investigations into the construction of the penta-substituted ring C of Neosurugatoxin - a crystallographic study.

    PubMed

    Jones, Alan M; Storey, John M D; Harrison, William T A

    2016-01-01

    The crystal structures of three cyclo-penta-[c]furans with various substituents at the 4-, 5- and 6-positions of the ring system are reported, namely, (±)-(3aR,4S,5S,6aS)-4-methyl-5-phenyl-hexa-hydro-1H-cyclo-penta-[c]furan-4,5-diol, C14H18O3, (I), (±)-(3aR,4S,5S,6aS)-4-benz-yloxy-4-methyl-5-phenyl-hexa-hydro-1H-cyclo-penta-[c]furan-5-ol, C21H24O3, (II), and (±)-(1aR,1bS,4aR,5S,5aR)-5-benz-yloxy-5-methyl-5a-phenyl-hexa-hydro-2H-oxireno[2',3':3,4]cyclopenta-[1,2-c]furan, C21H22O3, (III). The dominant inter-action in (I) and (II) is an O-H⋯O hydrogen bond across the bicyclic 5,5-ring system between the non-functionalized hy-droxy group and the tetra-hydro-furan O atom, which appears to influence the envelope conformations of the fused five-membered rings, whereas in (III), the rings have different conformations. A weak intra-molecular C-H⋯O inter-action appears to influence the degree of tilt of the phenyl ring attached to the 5-position and is different in (I) compared to (II) and (III). PMID:26870582

  6. [Preparative isolation of tetra-, penta- and hexapurine oligonucleotides from partial hydrolysates of depyrimidinated herring sperm DNA].

    PubMed

    Schott, H; Schrade, H

    1984-02-01

    Herring sperm DNA is chemically degraded to a complex mixture of purine nucleotides. The oligonucleotides are separated from the partial hydrolysates by column chromatography. The resulting mixture of trimer to hexamer purine oligonucleotides is subsequently fractionated on QAE-Sephadex into different mixtures of sequence-isomeric purine oligonucleotides. In a final separation, which uses reversed-phase (Nucleosil C18) high-performance liquid chromatography, these mixtures are separated under isocratic conditions into 35 pure defined purine oligonucleotides with four to six monomer units, 14 defined mixtures of sequence-isomeric purine oligonucleotides and several unidentified products. Purity and sequence of the isolated oligonucleotides are determined by the "fingerprint" method. The results of the high-performance liquid chromatographic and the "fingerprint" methods of the isolated oligonucleotides are discussed. PMID:6707126

  7. Tetra- and Penta-Cyclic Triterpenes Interaction with Lipid Bilayer Membrane: A Structural Comparative Study.

    PubMed

    Abboud, Rola; Charcosset, Catherine; Greige-Gerges, Hélène

    2016-06-01

    The effect of tetracyclic (cortisol, prednisolone, and 9-fluorocortisol acetate) and pentacyclic (uvaol and erythrodiol) triterpenes (TTPs) on the fluidity of dipalmitoyl phosphatidyl choline (DPPC) liposome membrane was investigated by differential scanning calorimetry, Raman spectroscopy, and fluorescence polarization of 1,6-diphenyl-1,3,5-hexatriene (DPH). Liposomes were prepared in the absence and presence of TTPs at molar ratios DPPC:TTP 100:1, 100:2.5, and 100:10. All the studied TTPs abolished the pre-transition and modified the intensity of the Raman peak at 715 cm(-1) proving the interaction of TTP molecules with the choline head group of phospholipids. An increase in the Raman height intensity ratios of the peaks I 2935/2880, I 2844/2880, and I 1090/1130, giving information about the ratio disorder/order of the alkyl chains, and a decrease of the main transition temperature demonstrated the interaction of TTPs with the alkyl chains. The tetracyclic TTPs produced broadening of the phase transition profile. Besides, a scarcely splitting of the main transition peak was obtained with prednisolone and 9-fluorocortisol acetate. The results of fluorescence depolarization of DPH showed that the studied molecules fluidized the liposomal membrane at 25, 41, and 50 °C. Pentacyclic TTPs, being more hydrophobic than tetracyclic ones, demonstrated higher fluidizing effect than tetracyclic TTPs in the liquid crystalline phase suggesting a deeper incorporation in the lipid bilayer. The presence of a free polar head group at the ring D seems to control the TTP incorporation in the bilayer and consequently its effect on the membrane fluidity. PMID:26759229

  8. Hydration mechanisms of Cu(2+): tetra-, penta- or hexa-coordinated?

    PubMed

    Liu, Xiandong; Lu, Xiancai; Jan Meijer, Evert; Wang, Rucheng

    2010-09-28

    To shed light on the hydration mechanisms of Cu(2+), we carried out simulations in both gas and aqueous phases by using the ab initio molecular dynamics technique equipped with the method of constraint. The simulations provide relatively complete free-energy information, from which the coexisting coordination pictures are clearly revealed. In both phases, the 5-fold complex is the most thermodynamically favorable state whereas the classically-accepted 6-fold occurs as a very weak stable state. In the gas phase, the 4-fold complex is a more reachable state than the 6-fold, but it cannot hold stably in the aqueous phase. The extracted thermodynamic values illustrate that in the gas phase the entropy term dominates the evolution processes to the 5-fold whereas in the aqueous case the energy term is dominant. PMID:20657900

  9. Thiacalix[4]arene-tetra-(quinoline-8- sulfonate): a Sensitive and Selective Fluorescent Sensor for Co (II).

    PubMed

    Modi, Krunal; Panchal, Urvi; Dey, Shuvankar; Patel, Chirag; Kongor, Anita; Pandya, Himanshu A; Jain, V K

    2016-09-01

    A novel fluorescent thiacalix[4]arene-tetra-(quinoline-8-sulfonate) (TCTQ8S) was synthesized by condensation of thiacalix[4]arene (TCA) and 8-quinoline sulfonyl chloride(8QSC). TCTQ8S was characterized by ESI-MS, (1)H-NMR and (13)C-NMR spectroscopic methods. TCTQ8S was found to be an efficient "turn-off" fluorescent sensor for the selective and sensitive recognition of Co(II) ions. The Job's plot measurement reveals a 1:1 stoichiometric ratio. The designed chemosensor exhibited high selectivity toward Co(II) ions vs. other tested metal ions, with a detection limit of up to 1.038 × 10(-9) M. The binding constant and quantum yield for the complex were also determined. Molecular docking studies have been successfully performed to support 1:1 binding of TCTQ8S with the Co(II) metal ion. TCTQ8S was evaluated for real sample analysis on water sample for the detection of Co(II). Graphical Abstract Thiacalix derivatized fluorescent sensor for the selective detection of Co(II). PMID:27392975

  10. Community Support Gives Rise to New Penta Career Center

    ERIC Educational Resources Information Center

    McCulloch, Michelle

    2007-01-01

    For more than 40 years, Penta Career Center in Perrysburg, Ohio, has successfully served thousands of high school students and adults from Northwest Ohio. Calling a converted 1949 United States Army Depot building home, Penta serves students from 16 surrounding school districts, and offers programs in six core areas: arts and communications;…

  11. Transition metal complexes of a new 15-membered [N5] penta-azamacrocyclic ligand with their spectral and anticancer studies

    NASA Astrophysics Data System (ADS)

    El-Boraey, Hanaa A.; Serag El-Din, Azza A.

    2014-11-01

    Novel penta-azamacrocyclic 15-membered [N5] ligand [L] i.e. 1,5,8,12-tetetraaza-3,4: 9,10-dibenzo-6-ethyl-7-methyl-1,12-(2,6-pyrido)cyclopentadecan-5,7 diene-2,11-dione and its transition metal complexes with Co(II), Ni(II), Cu(II), Ru(III) and Pd(II) have been synthesized and structurally characterized by elemental analysis, spectral, thermal as well as magnetic and molar conductivity measurements. On basis of IR, MS, UV-Vis 1H NMR and EPR spectral studies an octahedral geometry has been proposed for all complexes except Co(II), Cu(II) nitrate complexes and Pd(II) chloride complex that adopt tetrahedral, square pyramidal and square planar geometries, respectively. The antitumor activity of the synthesized ligand and some complexes against human breast cancer cell lines (MCF-7) and human hepatocarcinoma cell lines (HepG2) has been studied. The complexes (IC50 = 2.04-9.7, 2.5-3.7 μg/mL) showed potent antitumor activity comparable with their ligand (IC50 = 11.7, 3.45 μg/mL) against the above mentioned cell lines, respectively. The results evidently show that the activity of the ligand becomes more pronounced and significant when coordinated to the metal ion.

  12. Transition metal complexes of a new 15-membered [N5] penta-azamacrocyclic ligand with their spectral and anticancer studies.

    PubMed

    El-Boraey, Hanaa A; Serag El-Din, Azza A

    2014-11-11

    Novel penta-azamacrocyclic 15-membered [N5] ligand [L] i.e. 1,5,8,12-tetetraaza-3,4: 9,10-dibenzo-6-ethyl-7-methyl-1,12-(2,6-pyrido)cyclopentadecan-5,7 diene-2,11-dione and its transition metal complexes with Co(II), Ni(II), Cu(II), Ru(III) and Pd(II) have been synthesized and structurally characterized by elemental analysis, spectral, thermal as well as magnetic and molar conductivity measurements. On basis of IR, MS, UV-Vis 1H NMR and EPR spectral studies an octahedral geometry has been proposed for all complexes except Co(II), Cu(II) nitrate complexes and Pd(II) chloride complex that adopt tetrahedral, square pyramidal and square planar geometries, respectively. The antitumor activity of the synthesized ligand and some complexes against human breast cancer cell lines (MCF-7) and human hepatocarcinoma cell lines (HepG2) has been studied. The complexes (IC50=2.04-9.7, 2.5-3.7 μg/mL) showed potent antitumor activity comparable with their ligand (IC50=11.7, 3.45 μg/mL) against the above mentioned cell lines, respectively. The results evidently show that the activity of the ligand becomes more pronounced and significant when coordinated to the metal ion. PMID:24892547

  13. The structure of small penta-twinned gold particles

    NASA Astrophysics Data System (ADS)

    Gao, Pei-Yu; Kunath, W.; Gleiter, H.; Weiss, K.

    1989-03-01

    The structural feathers of penta-twinned gold particles (size between 2 and 6 nm) generated by gas evaporation have been investigated by high resolution TEM. The structural characteristic of penta-twinned particles is different from that of quasi-crystals that the five coherent or incoherent twin boundaries separating the twin oriented segments do not join up along a common edge. The lattice parameter is reduced by 4 5% in comparison to that of bulk gold. The formation of the penta-twinned particles is proposed to occur by particle collision. The particles were observed to be crystalline at ambient temperature.

  14. Bis(μ-2-tert-butyl-phenyl-imido-1:2κN:N)chlorido-2κCl-(diethyl ether-1κO)(2η-penta-methyl-cyclo-penta-dien-yl)lithiumtantalum(V).

    PubMed

    Cole, Jacqueline M; Chan, Michael C W; Gibson, Vernon C; Howard, Judith A K

    2011-06-01

    In the title compound, [LiTa(C(10)H(15))(C(10)H(13)N)(2)Cl(C(4)H(10)O)], the Ta(V) atom is coordinated by a η(5)-penta-methyl-cyclo-penta-dienyl (Cp*) ligand, a chloride ion and two N-bonded 2-tert-butyl-phenyl-imide dianions. With respect to the two N atoms, the chloride ion and the centroid of the Cp* ring, the tantalum coordination geometry is approximately tetra-hedral. The lithium cation is bonded to both the 2-tert-butyl-phenyl-imide dianions and also a diethyl ether mol-ecule, in an approximate trigonal planar arrangement. The Ta⋯Li separation is 2.681 (15) Å. In the crystal, a weak C-H⋯Cl inter-action links the mol-ecules. When compared to the 2,6-diisopropyl-phenyl-imide analogue ('the Wigley derivative') of the title compound, the two structures are conformationally matched with an overall r.m.s. difference of 0.461Å. PMID:21754594

  15. Investigations into the construction of the penta­substituted ring C of Neosurugatoxin – a crystallographic study

    PubMed Central

    Jones, Alan M.; Storey, John M. D.; Harrison, William T A

    2016-01-01

    The crystal structures of three cyclo­penta­[c]furans with various substituents at the 4-, 5- and 6-positions of the ring system are reported, namely, (±)-(3aR,4S,5S,6aS)-4-methyl-5-phenyl­hexa­hydro-1H-cyclo­penta­[c]furan-4,5-diol, C14H18O3, (I), (±)-(3aR,4S,5S,6aS)-4-benz­yloxy-4-methyl-5-phenyl­hexa­hydro-1H-cyclo­penta­[c]furan-5-ol, C21H24O3, (II), and (±)-(1aR,1bS,4aR,5S,5aR)-5-benz­yloxy-5-methyl-5a-phenyl­hexa­hydro-2H-oxireno[2′,3′:3,4]cyclopenta­[1,2-c]furan, C21H22O3, (III). The dominant inter­action in (I) and (II) is an O—H⋯O hydrogen bond across the bicyclic 5,5-ring system between the non-functionalized hy­droxy group and the tetra­hydro­furan O atom, which appears to influence the envelope conformations of the fused five-membered rings, whereas in (III), the rings have different conformations. A weak intra­molecular C—H⋯O inter­action appears to influence the degree of tilt of the phenyl ring attached to the 5-position and is different in (I) compared to (II) and (III). PMID:26870582

  16. Thermal conductivity of penta-graphene from molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Xu, Wen; Zhang, Gang; Li, Baowen

    2015-10-01

    Using classical equilibrium molecular dynamics simulations and applying the original Tersoff interatomic potential, we study the thermal transport property of the latest two dimensional carbon allotrope, penta-graphene. It is predicted that its room-temperature thermal conductivity is about 167 W/mK, which is much lower than that of graphene. With normal mode decomposition, the accumulated thermal conductivity with respect to phonon frequency and mean free path is analyzed. It is found that the acoustic phonons make a contribution of about 90% to the thermal conductivity, and phonons with mean free paths larger than 100 nm make a contribution over 50%. We demonstrate that the remarkably lower thermal conductivity of penta-graphene compared with graphene results from the lower phonon group velocities and fewer collective phonon excitations. Our study highlights the importance of structure-property relationship and provides better understanding of thermal transport property and valuable insight into thermal management of penta-graphene.

  17. Thermal conductivity of penta-graphene from molecular dynamics study.

    PubMed

    Xu, Wen; Zhang, Gang; Li, Baowen

    2015-10-21

    Using classical equilibrium molecular dynamics simulations and applying the original Tersoff interatomic potential, we study the thermal transport property of the latest two dimensional carbon allotrope, penta-graphene. It is predicted that its room-temperature thermal conductivity is about 167 W/mK, which is much lower than that of graphene. With normal mode decomposition, the accumulated thermal conductivity with respect to phonon frequency and mean free path is analyzed. It is found that the acoustic phonons make a contribution of about 90% to the thermal conductivity, and phonons with mean free paths larger than 100 nm make a contribution over 50%. We demonstrate that the remarkably lower thermal conductivity of penta-graphene compared with graphene results from the lower phonon group velocities and fewer collective phonon excitations. Our study highlights the importance of structure-property relationship and provides better understanding of thermal transport property and valuable insight into thermal management of penta-graphene. PMID:26493918

  18. A Toy Model for QCD: Hadrons, Penta- and Heptaquarks

    SciTech Connect

    Nunez, M.; Hess, P.O.; Civitarese, O.; Reboiro, M.

    2004-09-13

    A toy model for QCD is presented and applied to the hadron spectrum. As a byproduct the structure of penta- and hepta-quarks is obtained. A complete classification of the states is given. One essential feature of the model is the non-conservation of particle number.

  19. New Penta(tetrathiafulvalenyl)[60]fullerenes for Supramolecular Materials.

    PubMed

    Busseau, Antoine; Villegas, Carmen; Dabos-Seignon, Sylvie; Cabanetos, Clément; Hudhomme, Piétrick; Legoupy, Stéphanie

    2016-06-13

    New penta(organo)fullerenes donor-acceptor systems bearing five tetrathiafulvalene recognition units have been synthesized to promote self-assemblies similar in appearance to shuttlecocks nested into each other thanks to the conical host cavity created around the fullerene together with the π-π and electronic interactions. PMID:27061313

  20. Pyrolysis of the tetra pak

    SciTech Connect

    Korkmaz, Ahmet; Yanik, Jale Brebu, Mihai; Vasile, Cornelia

    2009-11-15

    This study deals with pyrolysis of tetra pak which is widely used as an aseptic beverage packaging material. Pyrolysis experiments were carried out under inert atmosphere in a batch reactor at different temperatures and by different pyrolysis modes (one- and two-step). The yields of char, liquid and gas were quantified. Pyrolysis liquids produced were collected as three separate phases; aqueous phase, tar and polyethylene wax. Characterization of wax and the determination of the total amount of phenols in aqueous phase were performed. Chemical compositions of gas and char products relevant to fuel applications were determined. Pure aluminum can be also recovered by pyrolysis.

  1. Penta­lanthanum zinc diplumbide, La5Zn1−xPb2+x (x ≃ 0.6)

    PubMed Central

    Oshchapovsky, Igor; Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Harbrecht, Bernd

    2014-01-01

    The title non-stoichiometric penta­lanthanum zinc diplumbide, La5Zn1−xPb2+x (x ≃ 0.6), was prepared from the elements in an evacuated silica ampoule. It adopts the Nb5Sn2Si-type structure (space group I4/mcm, Pearson symbol tI32), a ternary ordered superstructure of the W5Si3 type. Among the four independent crystallographic positions, three are fully occupied by La (Wyckoff 16k), La (4b), and Pb (8h) and one is occupied by a statistical mixture [occupancy ratio 0.394 (12):0.606 (12)] of Zn and Pb (4a). The structure is constructed by face-sharing 10-vertex polyhedra around the unmixed Pb sites. These fragments enclose channels of trans-face-sharing tetra­gonal anti­prisms occupied by the disordered Zn and Pb sites. PMID:24526938

  2. Predicting experimentally stable allotropes: Instability of penta-graphene

    PubMed Central

    Ewels, Christopher P.; Rocquefelte, Xavier; Kroto, Harold W.; Rayson, Mark J.; Briddon, Patrick R.; Heggie, Malcolm I.

    2015-01-01

    In recent years, a plethora of theoretical carbon allotropes have been proposed, none of which has been experimentally isolated. We discuss here criteria that should be met for a new phase to be potentially experimentally viable. We take as examples Haeckelites, 2D networks of sp2-carbon–containing pentagons and heptagons, and “penta-graphene,” consisting of a layer of pentagons constructed from a mixture of sp2- and sp3-coordinated carbon atoms. In 2D projection appearing as the “Cairo pattern,” penta-graphene is elegant and aesthetically pleasing. However, we dispute the author’s claims of its potential stability and experimental relevance. PMID:26644554

  3. Stevioside methanol tetra-solvate.

    PubMed

    Wu, Yunshan; Rodenburg, Douglas L; Ibrahim, Mohamed A; McChesney, James D; Avery, Mitchell A

    2013-03-01

    Stevioside is a naturally occurring diterpenoid glycoside in Stevia rebaudiana Bertoni. The title compound, C38H60O18·4CH3OH, crystallized as its methanol tetrasolvate. Stevioside consists of an aglycone steviol (a tetra-cyclic diterpene in which the four-fused-ring system consists of three six-membered rings and one five-membered ring) and a sugar part (three glucose units). A weak intra-molecular O-H⋯O hydrogen bond occurs. In the crystal, the methanol mol-ecules participate in a two-dimensional hydrogen-bonded network parallel to b axis with the sugars and together they form a hydrophilic tunnel which encloses the lipophilic part of the molecule. PMID:23476589

  4. [Preparative isolation of tri-, tetra-, penta- and hexapyrimidine nucleotides from hydrolysates of depurinated herring sperm DNA (author's transl)].

    PubMed

    Schott, H

    1979-04-21

    The pyrimidine nucleotides p(dC)3p, p(dT)3p and p(dT)4p and mixtures of the sequence isomers p(dC3, dT), (dC3, dT)p; p(dC3, dT)p; p(dC2, dT2)p; p(dC, dT3)p; p(dC3, dT2)p; p(dC2, dT3); p(dC2, dT3)p; p(dC, dT4)p; p(dC4, dT2); p(dC3, dT3); p(dC3, dT3)p and p(dC2, dT4)p have been isolated on a preparative scale from hydrolysates of depurinated herring sperm DNA. The DNA hydrolysate is first separated into a high- and a low-molecular weight pyrimidine nucleotide mixture by column chromatography at pH 7.5 on DEAE-cellulose. The high-molecular-weight pyrimidine nucleotide mixture is further separated into four peaks on QAE-Sephadex at pH 7.5. The second peak is re-chromatographed on QAE-Sephadex at pH 3.5. Pyrimidine nucleotides containing predominantly cytidylic acid units may thus be separated from these with predominantly thymidylic acid units. Subsequent separation according to number of phosphate groups at pH 7.5 on QAE-Sephadex yields products of 70--93% purity. In a final separation step, the pyrimidine nucleotides and mixtures of sequence isomers are once again chromatographed on QAE-Sephadex with 7 M urea at pH 7.5. The products thus obtained are generally chromatographically pure. Impurities which are not fully removed by column chromatography are separated by paper chromatography. The structure of the isolated DNA fragments and the composition of the mixtures of sequence isomers are determined from the chromatographic data, absorption characteristics and by enzymatic degradation. PMID:548528

  5. Disparate Strain Dependent Thermal Conductivity of Two-dimensional Penta-Structures.

    PubMed

    Liu, Huake; Qin, Guangzhao; Lin, Yuan; Hu, Ming

    2016-06-01

    Two-dimensional (2D) carbon allotrope called penta-graphene was recently proposed from first-principles calculations and various similar penta-structures emerged. Despite significant effort having been dedicated to electronic structures and mechanical properties, little research has been focused on thermal transport in penta-structures. Motivated by this, we performed a comparative study of thermal transport properties of three representative pentagonal structures, namely penta-graphene, penta-SiC2, and penta-SiN2, by solving the phonon Boltzmann transport equation with interatomic force constants extracted from first-principles calculations. Unexpectedly, the thermal conductivity of the three penta-structures exhibits diverse strain dependence, despite their very similar geometry structures. While the thermal conductivity of penta-graphene exhibits standard monotonic reduction by stretching, penta-SiC2 possesses an unusual nonmonotonic up-and-down behavior. More interestingly, the thermal conductivity of penta-SiN2 has 1 order of magnitude enhancement due to the strain induced buckled to planar structure transition. The mechanism governing the diverse strain dependence is identified as the competition between the change of phonon group velocity and phonon lifetime of acoustic phonon modes with combined effect from the unique structure transition for penta-SiN2. The disparate thermal transport behavior is further correlated to the fundamentally different bonding nature in the atomic structures with solid evidence from the distribution of deformation charge density and more in-depth molecular orbital analysis. The reported giant and robust tunability of thermal conductivity may inspire intensive research on other derivatives of penta-structures as potential materials for emerging nanoelectronic devices. The fundamental physics understood from this study also solidifies the strategy to engineer thermal transport properties of broad 2D materials by simple mechanical

  6. Zirconium(IV) dilanthanum(III) penta­sulfide

    PubMed Central

    Raw, Adam D.; Ibers, James A.

    2011-01-01

    Zirconium(IV) dilanthanum(III) penta­sulfide, ZrLa2S5, crystallizes with four formula units in the space group Pnma in the U3S5 structure type. The asymmetric unit comprises one Zr, one La and four S atoms. The Zr and three S atoms are situated on mirror planes. The structure consists of LaS8 face-sharing bicapped distorted trigonal prisms and ZrS7 edge-sharing monocapped octa­hedra. PMID:22199468

  7. 21 CFR 582.6789 - Tetra sodium pyrophosphate.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ....6789 Tetra sodium pyrophosphate. (a) Product. Tetra sodium pyrophosphate. (b) Conditions of use. This... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Tetra sodium pyrophosphate. 582.6789 Section 582.6789 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES...

  8. 21 CFR 182.6789 - Tetra sodium pyrophosphate.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Tetra sodium pyrophosphate. 182.6789 Section 182...) SUBSTANCES GENERALLY RECOGNIZED AS SAFE Sequestrants 1 § 182.6789 Tetra sodium pyrophosphate. (a) Product. Tetra sodium pyrophosphate. (b) Conditions of use. This substance is generally recognized as safe...

  9. 21 CFR 582.6789 - Tetra sodium pyrophosphate.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 6 2011-04-01 2011-04-01 false Tetra sodium pyrophosphate. 582.6789 Section 582.6789 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED....6789 Tetra sodium pyrophosphate. (a) Product. Tetra sodium pyrophosphate. (b) Conditions of use....

  10. Penta-BxNy sheet: a density functional theory study of two-dimensional material.

    PubMed

    Li, Jiao; Fan, Xinyu; Wei, Yanpei; Chen, Gang

    2016-01-01

    By using density functional theory with generalized gradient approximation, we have carried out detailed investigations of two-dimensional BxNy nanomaterials in the Cairo pentagonal tiling geometry fully composed of pentagons (penta-BxNy). Only penta-BN and BN2 planar structures are dynamically stable without imaginary modes in their phonon spectra. Their stabilities have been further evaluated by formation energy analysis, first-principles molecular dynamics simulation, and mechanical stability analysis. Penta-BN2 is superior to penta-BN in structural stability. Its stability analysis against oxidization and functional group adsorption as well as its synthesizing reaction path analysis show possibilities in fabricating penta-BN2 on experiment. Furthermore, the penta-BN2 could be transferred from metallic to semiconducting by ionizing or covalently binding an electron per dinitrogen. Also, it has been found to have superior mechanical properties, such as the negative Poisson's ratio and the comparable stiffness as that of hexagonal h-BN sheet. These studies on the stabilities, electronic properties, and mechanical properties suggest penta-BN2 as an attractive material to call for further studies on both theory and experiment. PMID:27539445

  11. Tuning the electronic and mechanical properties of penta-graphene via hydrogenation and fluorination.

    PubMed

    Li, Xiaoyin; Zhang, Shunhong; Wang, Fancy Qian; Guo, Yaguang; Liu, Jie; Wang, Qian

    2016-06-01

    Penta-graphene has recently been proposed as a new allotrope of carbon composed of pure pentagons, and displays many novel properties going beyond graphene [Zhang et al., Proc. Natl. Acad. Sci. U. S. A., 2015, 112, 2372]. To further explore the property modulations, we have carried out a theoretical investigation of the hydrogenated and fluorinated penta-graphene sheets. Our first-principles calculations reveal that hydrogenation and fluorination can effectively tune the electronic and mechanical properties of penta-graphene: turning the sheet from semiconducting to insulating; changing the Poisson's ratio from negative to positive, and reducing the Young's modulus. Moreover, the band gaps of the hydrogenated and fluorinated penta-graphene sheets are larger than those of fully hydrogenated and fluorinated graphene by 0.37 and 0.04 eV, respectively. The phonon dispersions and ab initio molecular dynamics simulations confirm that the surface modified penta-graphene sheets are dynamically and thermally stable, and show that the hydrogenated penta-graphene has more Raman-active modes with higher frequencies as compared to the fluorinated penta-graphene. PMID:27063837

  12. Penta-BxNy sheet: a density functional theory study of two-dimensional material

    PubMed Central

    Li, Jiao; Fan, Xinyu; Wei, Yanpei; Chen, Gang

    2016-01-01

    By using density functional theory with generalized gradient approximation, we have carried out detailed investigations of two-dimensional BxNy nanomaterials in the Cairo pentagonal tiling geometry fully composed of pentagons (penta-BxNy). Only penta-BN and BN2 planar structures are dynamically stable without imaginary modes in their phonon spectra. Their stabilities have been further evaluated by formation energy analysis, first-principles molecular dynamics simulation, and mechanical stability analysis. Penta-BN2 is superior to penta-BN in structural stability. Its stability analysis against oxidization and functional group adsorption as well as its synthesizing reaction path analysis show possibilities in fabricating penta-BN2 on experiment. Furthermore, the penta-BN2 could be transferred from metallic to semiconducting by ionizing or covalently binding an electron per dinitrogen. Also, it has been found to have superior mechanical properties, such as the negative Poisson’s ratio and the comparable stiffness as that of hexagonal h-BN sheet. These studies on the stabilities, electronic properties, and mechanical properties suggest penta-BN2 as an attractive material to call for further studies on both theory and experiment. PMID:27539445

  13. Doped penta-graphene and hydrogenation of its related structures: a structural and electronic DFT-D study.

    PubMed

    Quijano-Briones, J J; Fernández-Escamilla, H N; Tlahuice-Flores, A

    2016-06-21

    The structure of penta-graphene (penta-C), an irregular pentagonal two-dimensional (2D) structure, has been predicted recently. In this communication we carried out a dispersion-corrected density functional theory (DFT-D) study of the penta-C doped with Si, Ge and Sn atoms and its related hydrogenated penta-C structures (H-penta-C-X). We predict various new structures as thermally stable based on Born-Oppenheimer molecular dynamics (BOMD) calculations. Moreover, their dynamical stability is attested by phonon dispersions spectra. In general, we found that the bandgap value of doped structures reduces, while H-penta-C-X show large bandgap values. This feature can be exploited for potential uses of hydrogenated doped-penta-C structures as dielectric layers in electronic devices. PMID:27220553

  14. Tight-binding approach to penta-graphene

    PubMed Central

    Stauber, T.; Beltrán, J. I.; Schliemann, J.

    2016-01-01

    We introduce an effective tight-binding model to discuss penta-graphene and present an analytical solution. This model only involves the π-orbitals of the sp2-hybridized carbon atoms and reproduces the two highest valence bands. By introducing energy-dependent hopping elements, originating from the elimination of the sp3-hybridized carbon atoms, also the two lowest conduction bands can be well approximated - but only after the inclusion of a Hubbard onsite interaction as well as of assisted hopping terms. The eigenfunctions can be approximated analytically for the effective model without energy-dependent hopping elements and the optical absorption is discussed. We find large isotropic absorption ranging from 7.5% up to 24% for transitions at the Γ-point. PMID:26940279

  15. Penta-Quark States with Strangeness, Hidden Charm and Beauty

    NASA Astrophysics Data System (ADS)

    Wu, Jia-Jun; Zou, Bing-Song

    The classical quenched quark models with three constituent quarks provide a good description for the baryon spatial ground states, but fail to reproduce the spectrum of baryon excited states. More and more evidences suggest that unquenched effects with multi-quark dynamics are necessary ingredients to solve the problem. Several new hyperon resonances reported recently could fit in the picture of penta-quark states. Based on this picture, some new hyperon excited states were predicted to exist; meanwhile with extension from strangeness to charm and beauty, super-heavy narrow N* and Λ* resonances with hidden charm or beauty were predicted to be around 4.3 and 11 GeV, respectively. Recently, two of such N* with hidden charm might have been observed by the LHCb experiment. More of those states are expected to be observed in near future. This opens a new window in order to study hadronic dynamics for the multi-quark states.

  16. Tight-binding approach to penta-graphene

    NASA Astrophysics Data System (ADS)

    Stauber, T.; Beltrán, J. I.; Schliemann, J.

    2016-03-01

    We introduce an effective tight-binding model to discuss penta-graphene and present an analytical solution. This model only involves the π-orbitals of the sp2-hybridized carbon atoms and reproduces the two highest valence bands. By introducing energy-dependent hopping elements, originating from the elimination of the sp3-hybridized carbon atoms, also the two lowest conduction bands can be well approximated - but only after the inclusion of a Hubbard onsite interaction as well as of assisted hopping terms. The eigenfunctions can be approximated analytically for the effective model without energy-dependent hopping elements and the optical absorption is discussed. We find large isotropic absorption ranging from 7.5% up to 24% for transitions at the Γ-point.

  17. The penta-prism LTP: A long-trace-profiler with stationary optical head and moving penta prism

    SciTech Connect

    Qian, S.; Jark, W. ); Takacs, P.Z. )

    1995-03-01

    Metrology requirements for optical components for third-generation synchrotron sources are taxing the state of the art in manufacturing technology. We have investigated a number of error sources in a commercial figure measurement instrument, the Long-Trace-Profiler II, and have demonstrated that, with some simple modifications, we can significantly reduce the effect of error sources and improve the accuracy and reliability of the measurement. By keeping the optical head stationary and moving a penta prism along the translation stage, as in the original pencil-beam interferometer design of von Bieren, the stability of the optical system is greatly improved, and the remaining error signals can be corrected by a simple reference beam subtraction. We illustrate the performance of the modified system by investigating the distortion produced by gravity on a typical synchrotron mirror and demonstrate the repeatability of the instrument despite relaxed tolerances on the translation stage.

  18. The penta-prism LTP: A long-trace-profiler with stationary optical head and moving penta prism (abstract)

    SciTech Connect

    Qian, S.; Jark, W. ); Takacs, P.Z. )

    1995-02-01

    Metrology requirements for optical components for third generation synchrotron sources are taxing the state-of-the-art in manufacturing technology. We have investigated a number of effect sources in a commercial figure measurement instrument, the Long Trace Profiler II (LTP II), and have demonstrated that, with some simple modifications, we can significantly reduce the effect of error sources and improve the accuracy and reliability of the measurement. By keeping the optical head stationary and moving a penta prism along the translation stage, the stability of the optical system is greatly improved, and the remaining error signals can be corrected by a simple reference beam subtraction. We illustrate the performance of the modified system by investigating the distortion produced by gravity on a typical synchrotron mirror and demonstrate the repeatability of the instrument despite relaxed tolerances on the translation stage.

  19. Poly[diaqua­(μ4-carboxyl­atomethyl­phospho­nato)(μ4-carb­oxy­methyl­phospho­nato)penta­deca­methyl­penta­tin(IV)

    PubMed Central

    Boye, Mouhamadou Sembene; Diasse-Sarr, Aminata; Grosjean, Arnaud; Guionneau, Philippe

    2013-01-01

    The central SnIV atom of the penta­nuclear title complex, {[Sn(CH3)3]3O2C(CH2)PO3[Sn(CH3)3(H2O)]2HO2C(CH2)PO3}, is located on a twofold rotation axis; due to symmetry, the H atom of the carboxyl group of the anion is disordered with a site occupancy of 0.5. The central SnIV atom is bonded to three methyl groups (one of which is disordered about the twofold rotation axis) and is symmetrically trans coordinated by two phospho­nate groups with Sn—O = 2.2665 (12) Å while the other SnMe3 residues are asymmetrically trans coordinated with Sn—O = 2.1587 (12) and 2.3756 (13) Å for one residue and Sn—O = 2.1522 (12) and 2.4335 (12) Å for the other; the Sn–O distances involving two O atoms trans to carboxyl­ate are longer than those trans to phospho­nate groups. The Sn—C distances lie in a very narrow range [2.112 (2)–2.133 (3) Å]. The oxyanion behaves as a tetra-coordinating ligand. The bridging mode of the latter leads to the formation of layers parallel to (001) that are inter­connected by O—H⋯O and C—H⋯O hydrogen bonds. PMID:23424406

  20. A first-principles study of stable few-layer penta-silicene.

    PubMed

    Aierken, Yierpan; Leenaerts, Ortwin; Peeters, François M

    2016-07-21

    Recently penta-graphene was proposed as a stable two-dimensional carbon allotrope consisting of a single layer of interconnected carbon pentagons [Zhang et al., PNAS, 2015, 112, 2372]. Its silicon counterpart, penta-silicene, however, is not stable. In this work, we show that multilayers of penta-silicene form stable materials with semiconducting or metallic properties, depending on the stacking mode. We demonstrate their dynamic stability through their phonon spectrum and using molecular dynamics. A particular type of bilayer penta-silicene is found to have lower energy than all of the known hexagonal silicene bilayers and forms therefore the most stable bilayer silicon material predicted so far. The electronic and mechanical properties of these new silicon allotropes are studied in detail and their behavior under strain is investigated. We demonstrate that strain can be used to tune its band gap. PMID:27339660

  1. [Genetic study of the Penta E locus and identification of rare alleles].

    PubMed

    Lai, Li; Shen, Xiaoli; Han, Lili; Chen, Dian; Hu, Jie

    2015-10-01

    OBJECTIVE To study the genetic polymorphisms of Penta E locus in Fujian Han population. METHODS Polymorphisms of the Penta E locus in 851 unrelated individuals were analyzed using polymerase chain reaction-short tandem repeat (PCR-STR). The mutation rate of rare alleles was analyzed in 494 paternity identification cases (in a total of 674 meiosis). RESULTS Twenty-six alleles were identified for the Penta E locus, with their frequencies ranging from 0.0006 to 0.1528. There were 7 rare alleles, among which Penta E-28.4 ([AAAGA]29) was identified for the first time. Genetic parameters of the Penta E locus in Fujian Han population were obtained, including PIC= 0.91, PE= 0.817, PD= 0.986, and mutation rate= 0.0015. CONCLUSION The Penta E locus is highly polymorphic and has a low mutation rate in Fujian Han population. It also has a good prospect in genetics applications. DNA sequencing is a good method for identifying rare alleles. PMID:26418985

  2. {2-[(η5-Cyclo­penta­dien­yl)diphenyl­meth­yl]-1H-imidazolido-κN}bis­(N,N-diethyl­amido)­titanium(IV)

    PubMed Central

    Cai, Xianfeng; Xu, Yingying; Nie, Wanli; Borzov, Maxim V.

    2011-01-01

    The chemically achiral title mol­ecule, [Ti(C4H10N)2(C21H16N2)], crystallizes in the chiral space group P21. All three N atoms coordinating to the TiIV atom adopt planar environments [sums of valence angles = 359.5 (6), 360.0 (7) and 360.0 (6)°], which is indicative of pπ–dπ donation from all of these N atoms to the metal and, thus, of the formal 18 e− nature of the complex. The overall coordination about the TiIV atom is distorted tetra­hedral, assuming the cyclo­penta­dienyl ring occupies one coordination site. The Ti—Nimidazole amide-type bond is longer by approximately 0.16 Å than the other two Ti—Namide bonds. PMID:21754286

  3. Sub-Camera Calibration of a Penta-Camera

    NASA Astrophysics Data System (ADS)

    Jacobsen, K.; Gerke, M.

    2016-03-01

    Penta cameras consisting of a nadir and four inclined cameras are becoming more and more popular, having the advantage of imaging also facades in built up areas from four directions. Such system cameras require a boresight calibration of the geometric relation of the cameras to each other, but also a calibration of the sub-cameras. Based on data sets of the ISPRS/EuroSDR benchmark for multi platform photogrammetry the inner orientation of the used IGI Penta DigiCAM has been analyzed. The required image coordinates of the blocks Dortmund and Zeche Zollern have been determined by Pix4Dmapper and have been independently adjusted and analyzed by program system BLUH. With 4.1 million image points in 314 images respectively 3.9 million image points in 248 images a dense matching was provided by Pix4Dmapper. With up to 19 respectively 29 images per object point the images are well connected, nevertheless the high number of images per object point are concentrated to the block centres while the inclined images outside the block centre are satisfying but not very strongly connected. This leads to very high values for the Student test (T-test) of the finally used additional parameters or in other words, additional parameters are highly significant. The estimated radial symmetric distortion of the nadir sub-camera corresponds to the laboratory calibration of IGI, but there are still radial symmetric distortions also for the inclined cameras with a size exceeding 5μm even if mentioned as negligible based on the laboratory calibration. Radial and tangential effects of the image corners are limited but still available. Remarkable angular affine systematic image errors can be seen especially in the block Zeche Zollern. Such deformations are unusual for digital matrix cameras, but it can be caused by the correlation between inner and exterior orientation if only parallel flight lines are used. With exception of the angular affinity the systematic image errors for corresponding

  4. Computing the band structure and energy gap of penta-graphene by using DFT and G0W0 approximations

    NASA Astrophysics Data System (ADS)

    Einollahzadeh, H.; Dariani, R. S.; Fazeli, S. M.

    2016-03-01

    In this paper, we consider the optimum coordinate of the penta-graphene. Penta-graphene is a new stable carbon allotrope which is stronger than graphene. Here, we compare the band gap of penta-graphene with various density functional theory (DFT) methods. We plot the band structure of penta-graphene which calculated with the generalized gradient approximation functional HTCH407, about Fermi energy. Then, one-shot GW (G0W0) correction for precise computations of band structure is applied. Quasi-direct band gap of penta-graphene is obtained around 4.1-4.3 eV by G0W0 correction. Penta-graphene is an insulator and can be expected to have broad applications in future, especially in nanoelectronics and nanomechanics.

  5. Fate of penta-brominated diphenyl ethers in soil

    PubMed Central

    Mueller, Kevin E.; Mueller-Spitz, Sabrina R.; Henry, Heather F.; Vonderheide, Anne P.; Soman, Rajiv S.; Kinkle, Brian K.; Shann, Jodi R.

    2008-01-01

    Polybrominated diphenyl ethers (PBDEs) are potentially harmful and persistent environmental pollutants. Despite evidence that soils are a major sink for PBDEs, little is known regarding their behavior in this medium. An environmentally relevant level of a commercial penta-BDE mixture (75 μg kg-1) was added to topsoil and the extractability of three congeners (BDE 47, 99, and 100) was monitored over 10 weeks in planted and unplanted treatments. The extractability of each congener decreased rapidly in the experimental soil due largely to abiotic sorption to soil particles, which was demonstrated by low PBDE recovery from sterilized and dry soils. Monoculture plantings of zucchini and radish did not affect the recovery of PBDEs from soil. However, PBDE recovery from mixed species plantings was nearly 8 times higher than that of unplanted and monoculture treatments, indicating that interspecific plant interactions may enhance PBDE bioavailablity in soil. Evidence for competitive interactions between the two species was revealed by reduced shoot biomass of zucchini plants in mixed treatments relative to pots containing only zucchini. Both plant species accumulated PBDEs in root and shoot tissue (< 5 μg kg-1 plant tissue). PBDE uptake was higher in zucchini and translocation of PBDEs to zucchini shoots was congener-specific. Our results suggest that although abiotic sorption may limit the potential for human exposure to PBDEs in soil, plants may increase the exposure risk by taking up and translocating PBDEs into aboveground tissues and by enhancing bioavailability in soil. PMID:17144293

  6. Sequence change and phylogenetic signal in muscoid COII DNA sequences.

    PubMed

    Szalanski, Allen L; Owens, Carrie B

    2003-08-01

    The complete DNA sequence of the mtDNA cytochrome oxidase II gene from house fly, Musca domestica, face fly, Musca autumnalis, stable fly, Stomoxys calcitrans, horn fly, Haematobia irritans, and black garbage fly, Hydrotaea aenescens, are reported. The nucleotide sequence codes for a 229 amino acid peptide. The COII sequence is A + T rich (74.1%), with up to 12.3% nucleotide and 8.4% amino acid divergence among the five taxa. Of the 688 nucleotides encoding for the gene, 135 nucleotide sites (19.6%) are variable, and 55 (8.0%) are phylogenetically informative. A phylogenetic analysis using three calliphorids as the outgroup taxa, indicates that the two haematophagus species, horn fly and stable fly, form a sister group. PMID:14631656

  7. Bis(nona­fluoro­butane­sulfonato-κO)dioxidotris(tetra­hydro­furan-κO)uranium(VI)

    PubMed Central

    Takao, Koichiro; Ikeda, Yasuhisa

    2008-01-01

    In the title compound, [U(C4F9O3S)O2(C4H8O)3], each UVI ion is located on a twofold rotation axis and is seven-coordinated by two terminal O atoms in the axial positions [U—O = 1.737 (5) Å] and five O atoms from two monodentate nona­fluoro­butane­sulfonate (NfO−) and three tetra­hydro­furan ligands in the equatorial plane [U—O = 2.388 (5)–2.411 (4) Å] in a penta­gonal–bipyramidal geometry. The crystal packing exhibits weak inter­molecular C—H⋯O hydrogen bonds involving the non-coordinated O atoms of the NfO− ligands. PMID:21200516

  8. Dietary protein source and level alters growth in neon tetras.

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Nutritional studies for aquarium fish like the neon tetra are sparse in comparison with those for food fish. To determine the optimum dietary protein level and source for growth of neon tetras, diets were formulated to contain 25, 35, 45 and 55% dietary protein from either marine animal protein or ...

  9. 40 CFR 721.10430 - Tetra alkyl ammonium salt (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Tetra alkyl ammonium salt (generic... Specific Chemical Substances § 721.10430 Tetra alkyl ammonium salt (generic). (a) Chemical substance and... ammonium salt (PMN P-97-823) is subject to reporting under this section for the significant new...

  10. 40 CFR 721.10430 - Tetra alkyl ammonium salt (generic).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Tetra alkyl ammonium salt (generic... Specific Chemical Substances § 721.10430 Tetra alkyl ammonium salt (generic). (a) Chemical substance and... ammonium salt (PMN P-97-823) is subject to reporting under this section for the significant new...

  11. Recoverable plasticity in penta-twinned metallic nanowires governed by dislocation nucleation and retraction

    PubMed Central

    Qin, Qingquan; Yin, Sheng; Cheng, Guangming; Li, Xiaoyan; Chang, Tzu-Hsuan; Richter, Gunther; Zhu, Yong; Gao, Huajian

    2015-01-01

    There has been relatively little study on time-dependent mechanical properties of nanowires, in spite of their importance for the design, fabrication and operation of nanoscale devices. Here we report a dislocation-mediated, time-dependent and fully reversible plastic behaviour in penta-twinned silver nanowires. In situ tensile experiments inside scanning and transmission electron microscopes show that penta-twinned silver nanowires undergo stress relaxation on loading and complete plastic strain recovery on unloading, while the same experiments on single-crystalline silver nanowires do not exhibit such a behaviour. Molecular dynamics simulations reveal that the observed behaviour in penta-twinned nanowires originates from the surface nucleation, propagation and retraction of partial dislocations. More specifically, vacancies reduce dislocation nucleation barrier, facilitating stress relaxation, while the twin boundaries and their intrinsic stress field promote retraction of partial dislocations, resulting in full strain recovery. PMID:25585295

  12. Esterified coir pith as an adsorbent for the removal of Co(II) from aqueous solution.

    PubMed

    Parab, Harshala; Joshi, Shreeram; Shenoy, Niyoti; Lali, Arvind; Sarma, U S; Sudersanan, M

    2008-04-01

    Coir pith was chemically modified for the adsorption of cobalt(II) ions from aqueous solution. Chemical modification was done by esterification using succinic anhydride followed by activation with NaHCO(3) in order to improve the adsorption of Co(II). Adsorptive removal of Co(II) from aqueous solution onto modified coir pith was evaluated in batch studies under varying conditions of agitation time and metal ion concentration to assess the kinetic and equilibrium parameters. A pseudo-second-order kinetic model fitted well for the sorption of Co(II) onto modified coir pith. Sorption kinetics showed that the loading of Co(II) by this material was quite fast under ambient conditions. The Langmuir and Freundlich equilibrium isotherm models provided excellent fits for the adsorption data, with R(2) of 0.99 and 0.98, respectively. After esterification, the maximum Co(II) sorption loading Q(0); was greatly improved. It is evident that chemically modified adsorbent exhibits better Co(II) removal capability than raw adsorbent suggesting that surface modification of the adsorbent generates more adsorption sites on its solid surface for metal adsorption. A complete recovery of the adsorbed metal ions from the spent adsorbent was achieved by using 1.0N HCl. PMID:17611104

  13. Tetra-hedral zinc in tetra-kis-(1-methyl-1H-imidazole-κN)zinc bis-(tetra-fluorido-borate).

    PubMed

    Reedijk, Jan; van Albada, Gerard A; Limburg, Bart; Mutikainen, Ilpo; Turpeinen, Urho

    2012-01-01

    In the title compound, [Zn(C(4)H(6)N(2))(4)](BF(4))(2), the Zn(II) ion is in a slightly distorted tetra-hedral coordination geometry, with Zn-N distances in the range 1.980 (2)-1.991 (2) Å. The tetra-hedral angles are in the range 104.93 (9)-118.81 (9)°. PMID:22259384

  14. Removal efficiencies for 136 tetra- through octa-chlorinated dibenzo-p-dioxins and dibenzofuran congeners with activated carbons.

    PubMed

    Zhou, Xu-Jian; Li, Xiao-Dong; Ni, Ming-Jiang; Cen, Ke-Fa

    2015-11-01

    In this study, the removal efficiency of 136 tetra- to octa-chlorinated dibenzo-p-dioxin (CDD)/furan (F) congeners from a nitrogen + oxygen carrier gas was studied using a laboratory-scale, fixed bed adsorption system. Two kinds of activated carbon with dissimilar pore structures were used as adsorbents. The total concentration of polychlorinated dibenzo-p-dioxins/furans (PCDD/Fs) in the source gas was 541 ng/Nm(3) and that of the 17 toxic 2,3,7,8-substituted PCDD/Fs 96.35 ng/Nm(3), accounting for 17.8% of the total original weight amount. Their toxic equivalent quantity (TEQ) was 8.31 ng I-TEQ/Nm(3). For both activated carbons, the removal efficiencies of the ten PCDD/F homologue groups rise with chlorine substitution number. The removal efficiencies vary approximately as a power function of vapor pressure (correlation coefficients r(2) = 0.93 and 0.81, respectively). Competitive adsorption and desorption occur as adsorption time went on, causing elution of the lower chlorinated homologues, i.e. tetra-CDD/F and Penta-CDD/F congeners. In addition, there are significantly different concentration distributions for isomers in the same homologue groups. However, their removal efficiencies have weak correlation with their initial concentrations. The correlation coefficients are from -0.47 to 0.32 and from -0.57 to 0.46 respectively for the two kinds of activated carbons. PMID:26154037

  15. Aqueous Co(II) adsorption using 8-hydroxyquinoline anchored γ-Fe2O3@chitosan with Co(II) as imprinted ions.

    PubMed

    Hossein Beyki, Mostafa; Shemirani, Farzaneh; Shirkhodaie, Mahsa

    2016-06-01

    A novel, bio-based 8-hydroxyquinoline (8-HQ) anchored magnetic chitosan using Co(II) as imprinted ions was prepared and applied for selective removal of Co(II) from aqueous solutions. At first, γ-Fe2O3 has been synthesized by solvent free precipitation route and then combined with 8-hydroxyquinoline anchored chitosan using epichlorohydrin (EPH) as crosslinking agent. The FT- IR spectra showed that 8-HQ has been successfully anchored onto chitosan structure. Moreover, TEM analysis confirmed that the nanocomposite has core-shell structure. The experimental results showed that equilibrium time was 10min moreover, the maximum adsorption capacity of Co(II) with non-imprinted and surface imprinted polymer at pH 8 were 66.6 and 100mgg(-1), respectively. The selectivity coefficient of Co(II) ions relative to Cd(II), Ni(II) and Pb(II) were 11, 42 and 2, respectively. Prepared biosorbent represented good stability and good repeatability after three cycle of sorption and desorption using 0.5molL-(1) of HNO3 as eluent. Kinetic and thermodynamic behavior were also investigated and result showed that cobalt adsorption followed second order model and endothermic path. PMID:26944662

  16. Tetra Detector Analysis of Membrane Proteins

    PubMed Central

    Robbins, Rebecca A.; Stroud, Robert M.

    2014-01-01

    Well-characterized membrane protein detergent complexes (PDC) that are pure, homogenous and stable with minimized excess detergent micelles are essential for functional assays and crystallization studies. Procedural steps to measure the mass, size, shape, homogeneity and molecular composition of PDCs and their host detergent micelle using size exclusion chromatography (SEC) with a Viscotek tetra detector array (TDA; absorbance, refractive index, light scattering and viscosity detectors) are presented. The value of starting with a quality PDC sample, the precision and accuracy of the results, and the use of a digital bench top refractometer are emphasized. An alternate and simplified purification and characterization approach using SEC with dual absorbance and refractive index detectors to optimize detergent and lipid concentration while measuring the PDC homogeneity are also described. Applications relative to purification and characterization goals are illustrated as well. PMID:25081744

  17. Diaqua-tetra-bromidotin(IV) trihydrate.

    PubMed

    Ye, Fei; Reuter, Hans

    2012-09-01

    The title compound, [SnBr(4)(H(2)O)(2)]·3H(2)O, forms large colourless crystals in originally sealed samples of tin tetra-bromide. It constitutes the first structurally characterized hydrate of SnBr(4) and is isostructural with the corresponding -hydrate of SnCl(4). It is composed of Sn(IV) atoms octa-hedrally coordinated by four Br atoms and two cis-related water mol-ecules. The octa-hedra exhibit site symmetry 2. They are arranged into columns along [001] via medium-strong O-H⋯O hydrogen bonds involving the two lattice water mol-ecules (one situated on a twofold rotation axis) while the chains are inter-connected via longer O-H⋯Br hydrogen bonds, forming a three-dimensional network. PMID:22969439

  18. Synthesis, spectroscopic and catalytic studies of Cu(II), Co(II) and Ni(II) complexes immobilized on Schiff base modified chitosan

    NASA Astrophysics Data System (ADS)

    Antony, R.; Theodore David Manickam, S.; Saravanan, K.; Karuppasamy, K.; Balakumar, S.

    2013-10-01

    A new class of bidentate (N, O) Schiff base ligand (L) has been derived from the functional biopolymer (chitosan) and 1,2-diphenylethanedione in 1:1 M ratio. This ligand has been used to synthesise the new first row transition metal complexes of Cu(II), Co(II) and Ni(II). The structural properties of the ligand and the synthesized tetra-coordinated complexes have been investigated by elemental analysis, magnetic study, molar conductance measurement and spectroscopic methods viz. FT-IR, UV-Vis., 1H NMR, 13C NMR and XRD. The spectral evidences strongly suggested the square planar geometry to the complexes. The XRD studies proved that crystallinity of chitosan has been diminished after Schiff base formation and metal complexation of L. Thermal and surface properties of the complexes have been also discussed from the investigation of their TG-DTG curves and SEM images, respectively. In addition, the catalytic efficiency of these complexes has been studied in the cyclohexane oxidation reaction using H2O2 as oxidant at 70 °C.

  19. Half-metallicity and ferromagnetism in penta-AlN2 nanostructure.

    PubMed

    Li, Jiao; Fan, Xinyu; Wei, Yanpei; Liu, Haiying; Li, Shujuan; Zhao, Peng; Chen, Gang

    2016-01-01

    We have performed a detailed first-principles study of the penta-AlN2 nanostructure in the Cairo pentagonal tiling geometry, which is dynamically stable due to the absence of imaginary mode in the calculated phonon spectrum. The formation energy and the fragment cohesive energy analyses, the molecular dynamics simulations, and the mechanical property studies also support the structural stability. It could withstand the temperature as high as 1400 K and sustain the strain up to 16.1% against structural collapse. The slightly buckled penta-AlN2 is found to be a ferromagnetic semiconductor. The strain of ~9% could drive the structural transition from the buckled to the planar. Interestingly, the strain of >7% would change the conducting properties to show half-metallic characters. Furthermore, it could be also used to continuously enhance the magnetic coupling strength, rendering penta-AlN2 as a robust ferromagnetic material. These studies shed light on the possibilities in synthesizing penta-AlN2 and present many unique properties, which are worth of further studying on both theory and experiment. PMID:27616459

  20. Binuclear biologically active Co(II) complexes with octazamacrocycle and aliphatic dicarboxylates

    NASA Astrophysics Data System (ADS)

    Tanasković, S. B.; Vučković, G.; Antonijević-Nikolić, M.; Stanojković, T.; Gojgić-Cvijović, G.

    2012-12-01

    Four new cationic Co(II) complexes with N,N',N'',N'''-tetrakis (2-pyridylmethyl)-1,4,8,11-tetraazacyclotetradecane (tpmc) and dianion of one the aliphatic dicarboxylic acids: butanedioic acid (succinic) acid = succH2, pentanedioic (glutaric) acid = gluH2, hexanedioic acid (adipic) acid = adipH2 or decanedioic acid (sebacic) acid = sebH2 of general formula [Co2(L)(tpmc)](ClO4)2ṡxY, L2- = succ, x = 1, Y = H2O; L = glu, x = 1, Y = H2O; L = adip, x = 1.5, Y = H2O; L = seb, x = 1, Y = CH3CN were isolated. The composition and charge are proposed based on elemental analyses (C, H, N) and electrical conductivity measurements. UV-Vis and FTIR spectral data and magnetic moments were in accordance with high-spin Co(II) state. It is proposed that in all complexes Co(II) is hexa-coordinated out of cyclam ring and that both carboxylic groups from dicarboxylate bridge participate in coordination. Oxygens from one group are most likely bonded to the same Co(II) ion thus forming a four-membered ring. The in vitro antibacterial/antiproliferative activities of the complexes were in some cases enhanced compared with the simple Co(II) salt and free ligands, tested as controls.

  1. Tetra-amelia and splenogonadal fusion in Roberts syndrome

    SciTech Connect

    Ravel, T.J.L. de; Seftel, M.D.; Wright, C.A.

    1997-01-20

    Roberts-SC phocomelia syndrome comprises limb deficiencies of variable severity, facial clefts, and other anomalies. Tetra-amelia may also be associated with facial clefts and similar anomalies. We report on a female infant with severe tetra-amelia, micrognathia, cleft palate, splenogonadal fusion, and premature centromere separation. We propose that this represents the severe expression of the Roberts-SC phocomelia syndrome. 18 refs., 6 figs.

  2. Co(II) removal by magnetic alginate beads containing Cyanex 272.

    PubMed

    Ngomsik, Audrey-Flore; Bee, Agnès; Siaugue, Jean-Michel; Talbot, Delphine; Cabuil, Valérie; Cote, Gérard

    2009-07-30

    In this study, a series of batch experiments is conducted to investigate the ability of magnetic alginate beads containing Cyanex 272 to remove Co(II) ions from aqueous solutions. Equilibrium sorption experiments show a Co(II) uptake capacity of 0.4 mmol g(-1). The data are successfully modelled with a Langmuir equation. A series of kinetics experiments is then carried out and a pseudo-second order equation is used to fit the experimental data. The effect of pH on the sorption of Co(II) ions is also investigated. Desorption experiments by elution of the loaded beads with nitric acid at pH 1 show that the magnetic alginate beads could be reused without significant losses of their initial properties even after 3 adsorption-desorption cycles. PMID:19157703

  3. 2,2,6,6-Tetra­methyl­piperidinium penta­chloro­benzene­thiol­ate

    PubMed Central

    Baranowska, Katarzyna; Piwowarska, Natalia

    2008-01-01

    In the crystal structure of the title compound, C9H20N+·C6Cl5S−, two cation–anion pairs are linked by N—H⋯S hydrogen bonds to produce a cyclic aggregate of R 4 2(8) type. The dimers are interconnected via π–π stacking [centroid–centroid distance = 3.851(2) Å] and weak C—H⋯Cl hydrogen-bonding inter­actions. PMID:21201761

  4. The inductive-effect of electron withdrawing trifluoromethyl for thermally activated delayed fluorescence: tunable emission from tetra- to penta-carbazole in solution processed blue OLEDs.

    PubMed

    Mei, Ling; Hu, Jia; Cao, Xudong; Wang, Fangfang; Zheng, Chao; Tao, Youtian; Zhang, Xinwen; Huang, Wei

    2015-08-21

    The non-conjugated inductive effect of trifluoromethyl (CF3) was found to be a new acceptor instead of other conjugated moieties. Two blue emissive compounds, 4CzCF3Ph and 5CzCF3Ph, were synthesized using a simple catalyst-free C-N coupling reaction. Solution-processed TADF devices based on the 5CzCF3Ph dopant exhibit significantly higher efficiency (11.8 cd A(-1), 5.2%) than 4CzCF3Ph (1.03 cd A(-1), 0.67%) due to the smaller ΔE(ST) value for efficient RISC. PMID:26179717

  5. Sorption Characteristics of Aqueous Co(II) on Preformed Iron Ferrite Impregnated into Phenolsulphonic Formaldehyde Resin

    SciTech Connect

    Lee, K. J.; Kim, Y. K.

    2002-02-26

    A series of stepwise procedures to prepare a new organic-inorganic composite magnetic resin with phenolsulphonicformaldehyde and freshly formed iron ferrite was established, based upon wet-and-neutralization method for synthesizing iron ferrite and pearl-polymerization method for synthesizing rigid bead-type composite resin. The composite resin prepared by the above method shows stably high removal efficiency (maximally over 3.1 meq./gresin) to Co(II) species from wastewater in a wide range of solution pH. The wide range of applicable solution pH (i.e. pH 4.09 to 10.32) implies that the composite resin overcomes the limitations of the conventional ferrite process that is practically applicable only to alkaline conditions. It has been found that both ion exchange (by the organic resin constituent) and surface adsorption (by the inorganic adsorbent constituent) are major reaction mechanisms for removing Co(II) from wastewater, but surface precipitation results in the high sorption capacity to Co(II) beyond normal ion exchange capacity of the phenolsulphonic-formaldehyde resin. Standard enthalpy change derived from van't Hoff equation is 32.0 kJ{center_dot}mol-1 conforming to the typical range for chemisorption or ion exchange. In a wide range of equilibrium Co(II) concentration, the overall isotherm is qualitatively explained by the generalized adsorption isotherm concept proposed by McKinley. At the experimental conditions where the composite resin shows equivalent selectivity to Co(II) and other competing reagents (i.e. EDTA and Na), the ratios of Co(II) to other chemicals turn out to be 2:1 and 1:221, respectively. In addition, the selectivity of the PSF-F to Co(II) species is very high (about 72% of Co(II)-removal efficiency) even when the molar ratio of Co(II) to Ca(II) is 1:30. It is anticipated that the composite resin can also be used for column-operation with process-control by applying external magnetic field, since the rigid bead-type composite resin shows

  6. Mitochondrial intergenic COII/tRNA(Lys) 9-bp deletion, a biomarker for hepatocellular carcinoma?

    PubMed

    Ren, Weihua; Li, Yawei; Li, Rui; Feng, Hongbo; Wu, Shuangting; Mao, Yuhui; Huang, Lei

    2016-07-01

    The COII/tRNA(Lys) intergenic 9-bp deletion is one of the most commonly studied human mitochondrial DNA (mtDNA) polymorphisms. It consists of the loss of one of two tandemly repeated copies of the sequence CCCCCTCTA from a non-coding region located between cytochrome oxidase II (COII) and tRNA(Lys) gene. Most recently, case-control studies have shown a positive association between this deletion with hepatocellular cancer. In this study, we first performed a detailed analysis between this deletion and clinical diseases; moreover, we took the phylogenetic approach to examine the pathogenicity status of 9-bp deletion. PMID:26017042

  7. Separation of gas mixtures using Co(II) carborane-based porous coordination polymers

    SciTech Connect

    Bae, Youn-Sang; Spokoyny, Alexander M.; Farha, Omar K.; Snurr, Randall Q.; Hupp, Joseph T.; Mirkin, Chad A.

    2010-01-01

    Separations of CO{sub 2}/CH{sub 4}, CO{sub 2}/N{sub 2}, and O{sub 2}/N{sub 2} mixtures were studied in three porous coordination polymers made of the same carborane ligand and Co(II) nodes. High selectivities for CO{sub 2} over CH{sub 4} (~47) and CO{sub 2} over N{sub 2} (~95) were obtained, especially in the material with coordinated pyridine. Unusual selectivity for O{sub 2} over N{sub 2} (as high as 6.5) was demonstrated in the materials with open Co(II) sites.

  8. Dabigatran etexilate tetra­hydrate

    PubMed Central

    Liu, Hong-Qiang; Zhang, Wei-Guang; Cai, Zhi-Qiang; Xu, Wei-Ren; Shen, Xiu-Ping

    2012-01-01

    In the title compound, C34H41N7O5·4H2O (systematic name: ethyl 3-{[2-({4-[(Z)-amino­(hexyl­oxycarbonyl­imino)­meth­yl]anilino}meth­yl)-1-meth­yl­benzimidazole-5-carbon­yl]pyridin-2-yl­amino}­propano­ate tetra­hydrate), the benzene and pyridine rings form dihedral angles of 5.4 (1) and 43.8 (1)°, respectively, with the benzimidazole mean plane. The terminal butyl group is disordered over two conformations in a 0.756 (10):0.244 (10) ratio. There is an intramolecular N—H⋯O hydrogen bond present. In the crystal, the water mol­ecules are involved in the formation of O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds, which link the components into layers parallel to the ab plane. PMID:23476216

  9. Tissue distribution, excretion, and the metabolic pathway of 2,2',4,4',5-penta-chlorinated diphenylsulfide (CDPS-99) in ICR mice.

    PubMed

    Zeng, Xiaolan; Zhang, Xuesheng; Qin, Li; Wang, Zunyao

    2015-09-15

    The tissue distribution, excretion, and metabolic pathway of 2,2',4,4',5-penta-chlorinated diphenylsulfide (CDPS-99) in ICR mice were investigated after oral perfusion at 10mg/kg body weight (b.w.). Biological samples were extracted and separated and, for the first time, were determined by a novel, sensitive, and specific GC-MS method under the full scan and selected ion monitoring (SIM) modes. The results showed that the concentrations of CDPS-99 in the liver, kidneys, and serum reached a maximum after a one-day exposure and that the CDPS-99 concentration in the liver was the highest (3.43μg/g). The increase in the concentration of CDPS-99 in muscle, skin, and adipose tissue was slower, and the concentrations of CDPS-99 achieved their highest levels after 3 days of exposure. It was observed that the CDPS-99 concentration in adipose tissue was still very high (0.71μg/g) after 21 days of exposure, which suggested that CDPS-99 was able to accumulate in adipose tissue. In addition, mouse feces accounted for approximately 75% of the total gavage dose, indicating that CDPS-99 was mainly excreted via mouse feces. Metabolism analysis demonstrated that there were three possible metabolic pathways of CDPS-99 in mice: dechlorination reactions with the formation of tetra-CDPS and hydroxylation and oxidation reactions with the formation of OH-CDPS-99 and chlorinated diphenylsulfone. The present study will help to develop a better understanding of mammalian metabolism of CDPS-99. PMID:26262600

  10. Crystal structure and magnetic properties of a linear tetranuclear Co(II) cluster.

    PubMed

    Wang, Yingying; Wen, Meixia; Gao, Zhongjun; Sheng, Ning

    2016-09-01

    Polynuclear complexes are an important class of inorganic functional materials and are of interest particularly for their applications in molecular magnets. Multidentate chelating ligands play an important role in the design and syntheses of polynuclear metal clusters. A novel linear tetranuclear Co(II) cluster, namely bis{μ3-(E)-2-[(2-oxidobenzylidene)amino]phenolato}bis{μ2-(E)-2-[(2-oxidobenzylidene)amino]phenolato}bis(1,10-phenanthroline)tetracobalt(II), [Co4(C14H11NO2)4(C12H8N2)2], was prepared under solvothermal conditions through a mixed-ligand synthetic strategy. The structure was determined by X-ray single-crystal diffraction and bulk purity was confirmed by powder X-ray diffraction. The complex molecule has a centrosymmetric tetranuclear chain-like structure and the four Co(II) ions are located in two different coordination environments. The Co(II) ions at the ends of the chain are in a slightly distorted octahedral geometry, while the two inner Co(II) ions are in five-coordinate distorted trigonal bipyramidal environments. A magnetic study reveals ferromagnetic Co(II)...Co(II) exchange interactions for the complex. PMID:27585934

  11. Adsorption of Co(II) by a carboxylate-functionalized polyacrylamide grafted lignocellulosics.

    PubMed

    Shibi, I G; Anirudhan, T S

    2005-02-01

    A new adsorbent (PGBS-COOH) having carboxylate functional group at the chain end was synthesized by graft copolymerization of acrylamide onto banana stalk, BS (Musa Paradisiaca) using ferrous ammonium sulphate/H2O2 redox initiator system. The efficiency of the adsorbent in the removal of cobalt [Co(II)] from water was investigated using batch adsorption technique. The adsorbent exhibits very high adsorption potential for Co(II) and under optimum conditions more than 99% removal was achieved. The maximum adsorption capacity was observed at the pH range 6.5-9.0. The equilibrium isotherm data were analysed using three isotherm models, Langmuir, Freundlich and Scatchard, to determine the best fit equation for the sorption of Co(II) on the PGBS-COOH. A comparative study with a commercial cation exchanger, Ceralite IRC-50, having carboxylate functional group showed that PGBS-COOH is 2.8 times more effective compared to Ceralite IRC-50 at 30 degrees C. Synthetic nuclear power plant coolant water samples were also treated by the adsorbent to demonstrate its efficiency in removing Co(II) from water in the presence of other metal ions. Acid regeneration was tried for several cycles to recover the adsorbed metal ions and also to restore the sorbent to its original state. PMID:15664619

  12. Crystal structure of tetra-methyl-tetra-thia-fulvalenium (1S)-camphor-10-sulfonate dihydrate.

    PubMed

    Sommer, Mathieu; Allain, Magali; Mézière, Cécile; Pop, Flavia; Giffard, Michel

    2015-07-01

    Electro-oxidation of tetra-methyl-tetra-thia-fulvalene (TMTTF) in the presence of the chiral anion (1S)-camphor-10-sulfonate (S-camphSO3 (-)) in tetra-hydro-furan/water medium afforded a 1/1 salt formulated as TMTTF·S-camphSO3·2H2O or 2-(4,5-dimethyl-1,3-di-thiol-2-yl-idene)-4,5-dimethyl-1,3-di-thiole radical ion (1+) [(1S)-7,7-dimethyl-2-oxobi-cyclo-[2.2.1]heptan-1-yl]methane-sulfonate dihydrate, C10H12S4 (+)·C10H15O4S(-)·2H2O. In this salt, two independent TMTTF units are present but, in both cases, the observed bond lengths and especially the central C=C distance [1.392 (6) and 1.378 (6) Å] are in agreement with a complete oxidation of TMTTF which is thus present as TMTTF (.) (+) radical cations. These cations form one-dimensional stacks in which they are associated two by two, forming dimers with short [3.472 (1) to 3.554 (2) Å] S⋯S contacts. The two S-camphSO3 anions present also form stacks and are connected with each other via the water mol-ecules with many O-H⋯O hydrogen bonds ranging from 1.86 (3) to 2.15 (4) Å; the O-H⋯O hydrogen-bonding network can be described as being constituted of C 2 (2)(6) chains bearing R 3 (3)(11) lateral rings. On the other hand, the columns of cations and anions are connected through C-H⋯O hydrogen bonds, forming a system expanding in three directions; finally, the result is a three-dimensional network of O-H⋯O and C-H⋯O hydrogen bonds. PMID:26279858

  13. Impaired ergosterol biosynthesis mediated fungicidal activity of Co(II) complex with ligand derived from cinnamaldehyde.

    PubMed

    Shreaz, Sheikh; Shiekh, Rayees A; Raja, Vaseem; Wani, Waseem A; Behbehani, Jawad M

    2016-03-01

    In this study, we have used aldehyde function of cinnamaldehyde to synthesize N, N'-Bis (cinnamaldehyde) ethylenediimine [C20H20N2] and Co(II) complex of the type [Co(C40H40N4)Cl2]. The structures of the synthesized compounds were determined on the basis of physiochemical analysis and spectroscopic data ((1)H NMR, FTIR, UV-visible and mass spectra) along with molar conductivity measurements. Anticandidal activity of cinnamaldehyde its ligand [L] and Co(II) complex was investigated by determining MIC80, time-kill kinetics, disc diffusion assay and ergosterol extraction and estimation assay. Ligand [L] and Co(II) complex are found to be 4.55 and 21.0 folds more efficient than cinnamaldehyde in a liquid medium. MIC80 of Co(II) complex correlated well with ergosterol inhibition suggesting ergosterol biosynthesis to be the primary site of action. In comparison to fluconazole, the test compounds showed limited toxicity against H9c2 rat cardiac myoblasts. In confocal microscopy propidium iodide (PI) penetrates the yeast cells when treated with MIC of metal complex, indicating a disruption of cell membrane that results in imbibition of dye. TEM analysis of metal complex treated cells exhibited notable alterations or damage to the cell membrane and the cell wall. The structural disorganization within the cell cytoplasm was noted. It was concluded that fungicidal activity of Co(II) complex originated from loss of membrane integrity and a decrease in ergosterol content is only one consequence of this. PMID:26806515

  14. Crystal structure of tetra-kis-(1-oxidopyridin-2-yl)methane methanol tetra-solvate.

    PubMed

    Matsumoto, Kouzou; Kawashita, Kazuaki; Kannami, Masaki; Oda, Masaji

    2015-10-01

    The asymmetric unit of the title compound, C21H16N4O4·4CH3OH, consists of a quarter mol-ecule of tetra-kis-(1-oxidopyridin-2-yl)methane and one methanol solvent mol-ecule. In the crystal, the pyridine N-oxide derivative is located about a fourfold rotoinversion axis and exhibits S 4 symmetry along the c axis. An inter-molecular O-H⋯O hydrogen bond is observed between the O atom of the pyridine N-oxide and the OH group of the methanol. An inter-molecular C-H⋯O bond is also observed between adjacent pyridine N-oxide rings. PMID:26594459

  15. Tetra-Phocomelia: A Rarest of Rare Case

    PubMed Central

    Sanjay, S.C.; Krishna, L.; Krishnappa, N.

    2015-01-01

    We present a rarest of rare case of Tetra-Phocomelia evaluated by antenatal Ultrasonography. It is a condition seen in 0.62 per 100,000 live births. An ultrasonogram was done at 18 wk of pregnancy to assess the fetus and after termination gross specimen was evaluated and X-ray infantograms were done to confirm the findings. The case showed classic Tetra-Phocomelia with limbs like flippers of a seal. Our findings make it rarest of rare as only few cases have been so far reported. PMID:25954680

  16. Crystal structure of the tetra-gonal polymorph of bis-(1-ethyl-3-methyl-imidazolium) tetra-bromido-cadmate.

    PubMed

    Đorđević, Tamara; Gerger, Sabrina; Karanović, Ljiljana

    2016-07-01

    Both unique Cd atoms in the tetra-gonal polymorph of bis-(1-ethyl-3-methyl-imidazolium) tetra-bromido-cadmate, (C6H11N2)2[CdBr4], occupy special positions (site symmetry -4). The crystal structure consists of isolated tetra-hedral [CdBr4](2-) anions which are surrounded by 1-ethyl-3-methyl-imidazolium cations. The methyl and ethyl side chains of the cations show positional disorder in a 0.590 (11):0.410 (11) ratio. In the crystal, (C6H11N2)(+) cations display three weak C-H⋯Br hydrogen-bond inter-actions through the imidazolium ring H atoms with the Br(-) ligands of the surrounding complex anions. The alkyl groups of the side chains are not involved in hydrogen bonding. PMID:27555953

  17. Spectroscopic properties of a series of Co(II) coordination polymers and the influence of Co(II) coordination environment on photoelectric property

    NASA Astrophysics Data System (ADS)

    Jin, Jing; Gong, Yuanyuan; Li, Lei; Han, Xiao; Meng, Qin; Liu, Yonghua; Niu, Shuyun

    2015-02-01

    Four Co(II) coordination polymers, [Co(suc)]n1, [Co(pdc)]n2, {[Co7(suc)4(OH)6(H2O)3] · 8H2O}n3, {[Co(bdc)(phen)(H2O)] · H2O}n4 (H2suc = succinic acid, H2pdc = pyridine-3,4-dicarboxylic acid, H2bdc = 1,2-benzenedicarboxylic acid, phen = 1,10-phenanthroline) were hydrothermally synthesized and characterized by X-ray single-crystal diffraction, surface photovoltage spectroscopy (SPS), electrical conductivity, thermogravimetric analysis (TG), ultraviolet visible and near-infrared absorption spectrum (UV-Vis-NIR), infrared spectrum (IR), and elemental analysis. The structural analyses indicate that the coordination numbers of the Co(II) ions are 4, 5, 6 and 6 for the polymers 1-4, respectively. And polymers 1 and 2 exhibit 3D structure formed by suc2- and pdc2- anions bridging Co(II) ions, respectively. Polymer 3 exhibits a 2D structure with suc2- anions bridging seven-nuclear [Co7(OH)6(H2O)3]3- unit and polymer 4 is a 1D structure bridged by bdc2- anions. The surface photoelectric properties of the cobalt polymers were mainly studied by SPS. The results of SPS reveal that all polymers possess certain photoelectric conversion property in the range of 300-800 nm. The influences of the structure, coordination micro-environment of central metal ion and structural dimensionality on response bands of SPS were discussed.

  18. Spectroscopic properties of a series of Co(II) coordination polymers and the influence of Co(II) coordination environment on photoelectric property.

    PubMed

    Jin, Jing; Gong, Yuanyuan; Li, Lei; Han, Xiao; Meng, Qin; Liu, Yonghua; Niu, Shuyun

    2015-02-25

    Four Co(II) coordination polymers, [Co(suc)]n 1, [Co(pdc)]n 2, {[Co7(suc)4(OH)6(H2O)3]·8H2O}n 3, {[Co(bdc)(phen)(H2O)]·H2O}n 4 (H2suc=succinic acid, H2pdc=pyridine-3,4-dicarboxylic acid, H2bdc=1,2-benzenedicarboxylic acid, phen=1,10-phenanthroline) were hydrothermally synthesized and characterized by X-ray single-crystal diffraction, surface photovoltage spectroscopy (SPS), electrical conductivity, thermogravimetric analysis (TG), ultraviolet visible and near-infrared absorption spectrum (UV-Vis-NIR), infrared spectrum (IR), and elemental analysis. The structural analyses indicate that the coordination numbers of the Co(II) ions are 4, 5, 6 and 6 for the polymers 1-4, respectively. And polymers 1 and 2 exhibit 3D structure formed by suc(2-) and pdc(2-) anions bridging Co(II) ions, respectively. Polymer 3 exhibits a 2D structure with suc(2-) anions bridging seven-nuclear [Co7(OH)6(H2O)3](3-) unit and polymer 4 is a 1D structure bridged by bdc(2-) anions. The surface photoelectric properties of the cobalt polymers were mainly studied by SPS. The results of SPS reveal that all polymers possess certain photoelectric conversion property in the range of 300-800 nm. The influences of the structure, coordination micro-environment of central metal ion and structural dimensionality on response bands of SPS were discussed. PMID:25280332

  19. The electrochemical oxidation of toluene catalysed by Co(II) in N-butyl-N-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide.

    PubMed

    Balaji, S; Kannan, K; Moon, I S

    2015-12-14

    The electrochemical oxidation of toluene in N-butyl-N-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide ([bmpyr](+)[Ntf2](-)) was investigated by using cyclic voltammetry and galvanostatic electrolysis in the presence of Co(II) at a Pt disc working electrode. Cyclic voltammetry (CV) investigations revealed that Co(II)-Co(III) oxidation is a diffusion controlled electron transfer process. The diffusion coefficient values of Co(II) were found to increase from 0.38 × 10(-7) to 1.9 × 10(-7) cm(2) s(-1) as the temperature was increased from 25 °C to 80 °C. The CV peak current for toluene electro-oxidation increased by nearly 7 fold in the presence of Co(II) demonstrating a good catalytic effect. Co(II) catalysed galvanostatic electrolysis of toluene at room temperature has shown that benzaldehyde was formed along with a small quantity of 3-methyl-1-hexanol. PMID:26538114

  20. PENTA 2009 guidelines for the use of antiretroviral therapy in paediatric HIV-1 infection.

    PubMed

    Welch, Steve; Sharland, Mike; Lyall, E G Hermione; Tudor-Williams, Gareth; Niehues, Tim; Wintergerst, Uwe; Bunupuradah, Torsak; Hainaut, Marc; Della Negra, Marinella; Pena, Maria José Mellado; Amador, José Tomas Ramos; Gattinara, Guido Castelli; Compagnucci, Alexandra; Faye, Albert; Giaquinto, Carlo; Gibb, Diana M; Gandhi, Kate; Forcat, Silvia; Buckberry, Karen; Harper, Lynda; Königs, Christoph; Patel, Deepak; Bastiaans, Diane

    2009-11-01

    PENTA Guidelines aim to provide practical recommendations for treating children with HIV infection in Europe. Changes to guidance since 2004 have been informed by new evidence and by expectations of better outcomes following the ongoing success of antiretroviral therapy (ART). Participation in PENTA trials of simplifying treatment is encouraged. The main changes are in the following sections: 'When to start ART': Treatment is recommended for all infants, and at higher CD4 cell counts and percentages in older children, in line with changes to adult guidelines. The number of age bands has been reduced to simplify and harmonize with other paediatric guidelines. Greater emphasis is placed on CD4 cell count in children over 5 years, and guidance is provided where CD4% and CD4 criteria differ. 'What to start with': A three-drug regimen of two nucleoside reverse transcriptase inhibitors (NRTIs) with either a nonnucleoside reverse transcriptase inhibitor (NNRTI) or a boosted protease inhibitor (PI) remains the first choice combination. Lamivudine and abacavir are the NRTI backbone of choice for most children, based on long-term follow-up in the PENTA 5 trial. Stavudine is no longer recommended. Whether to start with an NNRTI or PI remains unclear, but PENPACT 1 trial results in 2009 may help to inform this. All PIs should be ritonavir boosted. Recommendations on use of resistance testing, therapeutic drug monitoring and HLA testing draw from data in adults and from European paediatric cohort studies. Recently updated US and WHO paediatric guidelines provide more detailed review of the evidence base. Differences between guidelines are highlighted and explained. PMID:19878352

  1. Polarized Neutron Diffraction as a Tool for Mapping Molecular Magnetic Anisotropy: Local Susceptibility Tensors in Co(II) Complexes.

    PubMed

    Ridier, Karl; Gillon, Béatrice; Gukasov, Arsen; Chaboussant, Grégory; Cousson, Alain; Luneau, Dominique; Borta, Ana; Jacquot, Jean-François; Checa, Ruben; Chiba, Yukako; Sakiyama, Hiroshi; Mikuriya, Masahiro

    2016-01-11

    Polarized neutron diffraction (PND) experiments were carried out at low temperature to characterize with high precision the local magnetic anisotropy in two paramagnetic high-spin cobalt(II) complexes, namely [Co(II) (dmf)6 ](BPh4 )2 (1) and [Co(II) 2 (sym-hmp)2 ](BPh4 )2 (2), in which dmf=N,N-dimethylformamide; sym-hmp=2,6-bis[(2-hydroxyethyl)methylaminomethyl]-4-methylphenolate, and BPh4 (-) =tetraphenylborate. This allowed a unique and direct determination of the local magnetic susceptibility tensor on each individual Co(II) site. In compound 1, this approach reveals the correlation between the single-ion easy magnetization direction and a trigonal elongation axis of the Co(II) coordination octahedron. In exchange-coupled dimer 2, the determination of the individual Co(II) magnetic susceptibility tensors provides a clear outlook of how the local magnetic properties on both Co(II) sites deviate from the single-ion behavior because of antiferromagnetic exchange coupling. PMID:26728231

  2. Tuning the Ising-type anisotropy in trigonal bipyramidal Co(II) complexes.

    PubMed

    Shao, Feng; Cahier, Benjamin; Guihéry, Nathalie; Rivière, Eric; Guillot, Régis; Barra, Anne-Laure; Lan, Yanhua; Wernsdorfer, Wolfgang; Campbell, Victoria E; Mallah, Talal

    2015-11-28

    This paper demonstrates the engineering and tuning of Ising-type magnetic anisotropy in trigonal bipyramidal Co(II) complexes. Here, we predict that employing a ligand that forces a trigonal bipyramidal arrangement and has weak equatorial σ-donating atoms, increases (in absolute value) the negative zero field splitting parameter D. With these considerations in mind, we used a sulfur containing ligand (NS3(iPr)), which imposes a trigonal bipyramidal geometry to the central Co(II) ion with long equatorial Co-S bonds. The resulting complex exhibits a larger anisotropy barrier and a longer relaxation time in comparison to the complex prepared with a nitrogen containing ligand (Me6tren). PMID:26440770

  3. Diadenosine tetra- and pentaphosphates affect contractility and bioelectrical activity in the rat heart via P2 purinergic receptors.

    PubMed

    Pustovit, Ksenia B; Kuzmin, Vladislav S; Abramochkin, Denis V

    2016-03-01

    Diadenosine polyphosphates (Ap(n)As) are endogenously produced molecules which have been identified in various tissues of mammalian organism, including myocardium. Ap(n)As contribute to the blood clotting and are also widely accepted as regulators of blood vascular tone. Physiological role of Ap(n)As in cardiac muscle has not been completely elucidated. The present study aimed to investigate the effects of diadenosine tetra- (Ap4A) and penta- (Ap5A) polyphosphates on contractile function and action potential (AP) waveform in rat supraventricular and ventricular myocardium. We have also demonstrated the effects of A4pA and Ap5A in myocardial sleeves of pulmonary veins (PVs), which play a crucial role in genesis of atrial fibrillation. APs were recorded with glass microelectrodes in multicellular myocardial preparations. Contractile activity was measured in isolated Langendorff-perfused rat hearts. Both Ap4A and Ap5A significantly reduced contractility of isolated Langendorff-perfused heart and produced significant reduction of AP duration in left and right auricle, interatrial septum, and especially in right ventricular wall myocardium. Ap(n)As also shortened APs in rat pulmonary veins and therefore may be considered as potential proarrhythmic factors. Cardiotropic effects of Ap4A and Ap5A were strongly antagonized by selective blockers of P2 purine receptors suramin and pyridoxalphosphate-6-azophenyl-2',4'-disulfonic acid (PPADS), while P1 blocker DPCPX was not effective. We conclude that Ap(n)As may be considered as new class of endogenous cardioinhibitory compounds. P2 purine receptors play the central role in mediation of Ap4A and Ap5A inhibitory effects on electrical and contractile activity in different regions of the rat heart. PMID:26680209

  4. Microencapsulation of Traditional Chinese Herbs-PentaHerbs extracts and potential application in healthcare textiles.

    PubMed

    Hui, Patrick Chi-Leung; Wang, Wen-Yi; Kan, Chi-Wai; Ng, Frency Sau-Fun; Wat, Elaine; Zhang, Vanilla Xin; Chan, Chung-Lap; Lau, Clara Bik-San; Leung, Ping-Chung

    2013-11-01

    In this work, Traditional Chinese Herbs (TCH)-PentaHerbs--was successfully microencapsulated in chitosan-sodium alginate (CSA) blend matrix using emulsion-chemical cross-linking method and the final product was characterised with regard to structure, surface morphology, particle size, in vitro drug release and skin toxicity by means of Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), laser diffraction particle size analysis, high performance liquid chromatography (HPLC) and methyl thiazolyl tetrazolium (MTT) and lactate dehydrogenase (LDH) release assays respectively. Results showed that the microcapsules were in spherical form with diameter mostly in the range of 3-18 μm and that the release performance of the microcapsules was influenced by pH value of phosphate buffer solution (PBS). The microcapsules had no toxic effects on cells and were successfully grafted onto the surface of cotton fabrics. These results indicated that PentaHerbs loaded CSA microcapsule may possess potential application in clinical treatment of atopic dermatitis (AD). PMID:23792555

  5. Hydrogenation of Penta-Graphene Leads to Unexpected Large Improvement in Thermal Conductivity

    NASA Astrophysics Data System (ADS)

    Wu, Xufei; Varshney, Vikas; Lee, Jonghoon; Zhang, Teng; Wohlwend, Jennifer L.; Roy, Ajit K.; Luo, Tengfei

    2016-06-01

    Penta-graphene (PG) has been identified as a novel 2D material with an intrinsic bandgap, which makes it especially promising for electronics applications. In this work, we use first-principles lattice dynamics and iterative solution of the phonon Boltzmann transport equation (BTE) to determine the thermal conductivity of PG and its more stable derivative - hydrogenated penta-graphene (HPG). As a comparison, we also studied the effect of hydrogenation on graphene thermal conductivity. In contrast to hydrogenation of graphene, which leads to a dramatic decrease in thermal conductivity (from 3590 to 1328 W/mK - a 63% reduction), HPG shows a notable increase in thermal conductivity (615 W/mK), which is 76% higher than that of PG (350 W/mK). The high thermal conductivity of HPG makes it more thermally conductive than most other semi-conducting 2D materials, such as the transition metal chalcogenides. Our detailed analyses show that the primary reason for the counter-intuitive hydrogenation-induced thermal conductivity enhancement is the weaker bond anharmonicity in HPG than PG. This leads to weaker phonon scattering after hydrogenation, despite the increase in the phonon scattering phase space. The high thermal conductivity of HPG may inspire intensive research around HPG and other derivatives of PG as potential materials for future nanoelectronic devices. The fundamental physics understood from this study may open up a new strategy to engineer thermal transport properties of other 2D materials by controlling bond anharmonicity via functionalization.

  6. Breathing mode vibrations and elastic properties of single-crystal and penta-twinned gold nanorods.

    PubMed

    Gan, Yong; Sun, Zheng; Chen, Zhen

    2016-08-10

    The acoustic vibrations of individual single-crystal and penta-twinned gold nanorods with widths from ∼7 to ∼26 nm are studied using atomic-level simulations and finite element calculations. It is demonstrated that the continuum model in the limit of an infinite rod length could be used to describe the breathing periods of nanorods with an aspect ratio as small as ∼2.5, in combination with bulk material elastic constants. The elastic moduli of gold nanorods are determined via their atomistically simulated extensional periods and the dispersion relation based on long-wavelength approximation. The twinned nanorods become stiffer as the width is reduced, which is in contrast to the size dependence of the modulus in single-crystal nanorods. Further finite element calculations for the breathing periods of nanorods are performed using isotropic elastic constants of bulk gold. We find that the breathing vibrations of the penta-twinned nanorods are more affected by the crystal structure effect than those of single-crystal nanorods, because a smaller range of crystal directions perpendicular to the long axis is involved in the breathing vibrations of twinned nanorods. PMID:27476532

  7. Indirect Oxidation of Co(II) in the Presence of the Marine Mn(II)-Oxidizing Bacterium Bacillus Sp. Strain SG-1

    SciTech Connect

    Murray, K.J.; Webb, S.M.; Bargar, J.R.; Tebo, B.M.; /Scripps Inst. Oceanography /SLAC, SSRL /Oregon Health Sci. U.

    2009-04-29

    Cobalt(II) oxidation in aquatic environments has been shown to be linked to Mn(II) oxidation, a process primarily mediated by bacteria. This work examines the oxidation of Co(II) by the spore-forming marine Mn(II)-oxidizing bacterium Bacillus sp. strain SG-1, which enzymatically catalyzes the formation of reactive nanoparticulate Mn(IV) oxides. Preparations of these spores were incubated with radiotracers and various amounts of Co(II) and Mn(II), and the rates of Mn(II) and Co(II) oxidation were measured. Inhibition of Mn(II) oxidation by Co(II) and inhibition of Co(II) oxidation by Mn(II) were both found to be competitive. However, from both radiotracer experiments and X-ray spectroscopic measurements, no Co(II) oxidation occurred in the complete absence of Mn(II), suggesting that the Co(II) oxidation observed in these cultures is indirect and that a previous report of enzymatic Co(II) oxidation may have been due to very low levels of contaminating Mn. Our results indicate that the mechanism by which SG-1 oxidizes Co(II) is through the production of the reactive nanoparticulate Mn oxide.

  8. (Glycol-κ2 O,O′)nitros­yl(η5-penta­methyl­cyclo­penta­dien­yl)ruthenium(II) bis­(tri­fluoro­methane­sulfonate)

    PubMed Central

    Munie, Semeret; Larsen, Anna; Gembicky, Milan

    2008-01-01

    The title compound, [Ru(C10H15)(NO)(HOCH2CH2OH)](CF3SO3)2, possesses a three-legged piano-stool geometry around the Ru atom, with an average Ru—O distance of 2.120 (6) Å and an Ru—N—O angle of 159.45 (14)°. The ethyl­eneglycol ligand forms a non-planar metallacyclic ring by chelating the Ru atom via the O atoms. The O⋯O distances of 2.554 (2) and 2.568 (2) Å are indicative of hydrogen bonding between coordinated ethyl­eneglycol and outer-sphere trifluoro­methane­sulfonate fragments. The crystal packing is stabilized by ionic forces and several CH3⋯·F (2.585 and 2.640 Å) and CH3⋯O inter­actions (2.391, 2.678, 2.694 and 2.699 Å) between the penta­methyl­cyclo­penta­dienyl ligand and trifluoro­methane­sulfonate anion. There is noticeable short inter­molecular contact [2.9039 (16) Å], between an O atom of the SO3 group and a C atom of the penta­methyl­cyclo­penta­dienyl ligand. PMID:21201270

  9. Solid dispersions of the penta-ethyl ester prodrug of diethylenetriaminepentaacetic acid (DTPA): Formulation design and optimization studies

    PubMed Central

    Yang, Yu-Tsai; Di Pasqua, Anthony J.; Zhang, Yong; Sueda, Katsuhiko; Jay, Michael

    2015-01-01

    The penta-ethyl ester prodrug of diethylenetriaminepentaacetic acid (DTPA), which exists as an oily liquid, was incorporated into a solid dispersion for oral administration by the solvent evaporation method using blends of polyvinylpyrrolidone (PVP), Eudragit® RL PO and α-tocopherol. D-optimal mixture design was used to optimize the formulation. Formulations that had a high concentration of both Eudragit® RL PO and α-tocopherol exhibited low water absorption and enhanced stability of the DTPA prodrug. Physicochemical properties of the optimal formulation were evaluated using Fourier transform infrared (FTIR) spectroscopy and differential scanning calorimetry (DSC). In vitro release of the prodrug was evaluated using the USP Type II apparatus dissolution method. DSC studies indicated that the matrix had an amorphous structure, while FTIR spectrometry showed that DTPA penta-ethyl ester and excipients did not react with each other during formation of the solid dispersion.. Dissolution testing showed that the optimized solid dispersion exhibited a prolonged release profile, which could potentially result in a sustained delivery of DTPA penta-ethyl to enhance bioavailability. In conclusion, DTPA penta-ethyl ester was successfully incorporated into a solid matrix with high drug loading and improved stability compared to prodrug alone. PMID:24047113

  10. Crystal structure of tetra­guanidinium [hexa­hydrogen hexa­arsenato(V)tetra­vanadate(V)] tetra­hydrate

    PubMed Central

    Harrison, William T. A.

    2014-01-01

    The complete polyoxidometallate anion in the title compound, (CH6N3)4[H6V4As6O30]·4H2O, is generated by crystallographic inversion symmetry. The polyhedral building units are distorted VO6 octa­hedra and AsO3OH tetra­hedra. The VO6 units feature a short formal V=O double bond and are linked by a common edge. Two such V2O6 double octahedral units are linked by four isolated AsO3OH tetra­hedra to complete the anion, which features two inter­nal O—H⋯O hydrogen bonds. In the crystal, O—H⋯O hydrogen bonds between the polyoxidometallate anions generate (01-1) sheets. The sheets are connected by cation-to-cluster N—H⋯O hydrogen bonds, and cation-to-water N—H⋯O links also occur. The O atom of one of the water mol­ecules is disordered over two sites in a 0.703 (17):0.297 (17) ratio. PMID:25309172

  11. 1,1,4,4-Tetra-tert-butyl-1,4-dichloro-2,2,3,3-tetra-phenyl-tetra-silane.

    PubMed

    Otsuka, Kyohei; Ishida, Shintaro; Kyushin, Soichiro

    2012-02-01

    The title compound, C(40)H(56)Cl(2)Si(4), was synthesized by the coupling of 1,1-di-tert-butyl-1,2-dichloro-2,2-diphenyl-disilane with lithium. The asymmetric unit contains one half-mol-ecule, which is completed by an inversion centre. In the mol-ecule, the tetra-silane skeleton adopts a perfect anti conformation and the Si-Si bonds [2.4355 (5) and 2.4328 (7) Å] are longer than the standard Si-Si bond length (2.34 Å). The Si-Si-Si angle [116.09 (2)°] is larger than the tetra-hedral bond angle (109.5°). These long bond lengths and the wide angle are favorable for reducing the steric hindrance among the tert-butyl and the phenyl groups. The dihedral angle between the phenyl rings in the asymmetric unit is 37.36 (8)°. PMID:22347038

  12. 1,1,4,4-Tetra-tert-butyl-1,4-dichloro-2,2,3,3-tetra­phenyl­tetra­silane

    PubMed Central

    Otsuka, Kyohei; Ishida, Shintaro; Kyushin, Soichiro

    2012-01-01

    The title compound, C40H56Cl2Si4, was synthesized by the coupling of 1,1-di-tert-butyl-1,2-dichloro-2,2-diphenyl­disilane with lithium. The asymmetric unit contains one half-mol­ecule, which is completed by an inversion centre. In the mol­ecule, the tetra­silane skeleton adopts a perfect anti conformation and the Si—Si bonds [2.4355 (5) and 2.4328 (7) Å] are longer than the standard Si—Si bond length (2.34 Å). The Si—Si—Si angle [116.09 (2)°] is larger than the tetra­hedral bond angle (109.5°). These long bond lengths and the wide angle are favorable for reducing the steric hindrance among the tert-butyl and the phenyl groups. The dihedral angle between the phenyl rings in the asymmetric unit is 37.36 (8)°. PMID:22347038

  13. Mechanism of Co(II) adsorption by zero valent iron/graphene nanocomposite.

    PubMed

    Xing, Min; Xu, Lejin; Wang, Jianlong

    2016-01-15

    Nanoscale zero valent iron (ZVI)/graphene (GF) composite was prepared and characterized by Brunauer-Emmett-Teller (BET) surface area measurement and zeta potential determination. The adsorption isotherm of Co(II) in aqueous solution, as well as the influence of pH values and ionic strengths was studied. The mechanism of Co(II) adsorption by GF was investigated through analyzing the sorption products at initial pH of 3.0, 6.0 and 9.0 using high-resolution transmission electron microscope with energy dispersive X-ray detector (HRTEM-EDX), X-ray diffraction (XRD), vibrating-sample magnetometer (VSM), Raman spectra, X-ray photoelectron spectroscopy (XPS) and X-ray absorption fine structure (XAFS) measurement. The results indicated that Langmuir isotherm model fitted well and the adsorption capacity was 131.58 mg g(-1) at 30°C. Adsorption capacity was not significantly influenced by ionic strength and kept high at pH 4.0∼9.0. The detail information of GF-Co interaction at different initial pH values was obtained using XAFS analysis combined with other characterization methods. Coordination numbers (CN) and interatomic distances (R) of both Fe and Co were given. At pH 3.0 and pH 6.0, the Co-substituted iron oxides transformed to CoFe2O4-like structure, while at pH 9.0 they changed to green rust-like phases. Co occupied preferentially in the octahedral sites in acid solution. The adsorption mechanism of Co(II) was attributed to inner-sphere complexation and dissolution/re-precipitation of the substituted metal oxides. PMID:26368802

  14. Cyclic Penta- and Hexaleucine Peptides without N-Methylation Are Orally Absorbed

    PubMed Central

    2014-01-01

    Development of peptide-based drugs has been severely limited by lack of oral bioavailability with less than a handful of peptides being truly orally bioavailable, mainly cyclic peptides with N-methyl amino acids and few hydrogen bond donors. Here we report that cyclic penta- and hexa-leucine peptides, with no N-methylation and five or six amide NH protons, exhibit some degree of oral bioavailability (4–17%) approaching that of the heavily N-methylated drug cyclosporine (22%) under the same conditions. These simple cyclic peptides demonstrate that oral bioavailability is achievable for peptides that fall outside of rule-of-five guidelines without the need for N-methylation or modified amino acids. PMID:25313329

  15. Iron chelation using subcutaneous infusions of diethylene triamine penta-acetic acid (DTPA).

    PubMed

    Pippard, M J; Jackson, M J; Hoffman, K; Petrou, M; Modell, C B

    1986-05-01

    The iron chelating ability and potential toxicity of subcutaneous infusions of the calcium and zinc salts of diethylene triamine penta-acetic acid (DTPA) have been assessed in metabolic balance studies in 2 iron-loaded thalassaemic patients. Infusions of calcium DTPA were locally well tolerated and the drug was as effective as desferrioxamine in mobilising iron. However, daily infusions in the 1st patient also produced symptomatic zinc depletion which could not be controlled by simultaneous oral zinc supplements. Zinc DTPA proved ineffective as an iron chelator, but zinc balance could be maintained in the 2nd patient by combining intermittent (every 4 d) use of calcium DTPA with oral zinc supplements. Combined studies with desferrioxamine and calcium DTPA showed the drugs to have additive effects, probably as a result of the chelation of iron from different body sites. PMID:3738427

  16. Coordination Behavior of 3-Ethoxycarbonyltetronic Acid towards Cu(II) and Co(II) Metal Ions

    PubMed Central

    Athanasellis, Giorgos; Zahariou, Georgia; Kikionis, Stefanos; Igglessi-Markopoulou, Olga; Markopoulos, John

    2008-01-01

    Tetronic acids, 4-hydroxy-5H-furan-2-ones, constitute a class of heterocyclic compounds with potent biological and pharmacological activity. The β, β′-tricarbonyl moiety plays an integral role in biological systems and forms a variety of metal complexes. In this report, we present the complexation reactions of 3-ethoxycarbonyl tetronic acids with acetates and chlorides of Cu(II) and Co(II). These complexes have been studied by means of EPR spectroscopy and magnetic susceptibility measurements. From the obtained results, a preliminary complexation mode of the ligand is proposed. PMID:19197392

  17. Hydrogenation of Penta-Graphene Leads to Unexpected Large Improvement in Thermal Conductivity.

    PubMed

    Wu, Xufei; Varshney, Vikas; Lee, Jonghoon; Zhang, Teng; Wohlwend, Jennifer L; Roy, Ajit K; Luo, Tengfei

    2016-06-01

    Penta-graphene (PG) has been identified as a novel two-dimensional (2D) material with an intrinsic bandgap, which makes it especially promising for electronics applications. In this work, we use first-principles lattice dynamics and iterative solution of the phonon Boltzmann transport equation (BTE) to determine the thermal conductivity of PG and its more stable derivative, hydrogenated penta-graphene (HPG). As a comparison, we also studied the effect of hydrogenation on graphene thermal conductivity. In contrast to hydrogenation of graphene, which leads to a dramatic decrease in thermal conductivity, HPG shows a notable increase in thermal conductivity, which is much higher than that of PG. Considering the necessity of using the same thickness when comparing thermal conductivity values of different 2D materials, hydrogenation leads to a 63% reduction in thermal conductivity for graphene, while it results in a 76% increase for PG. The high thermal conductivity of HPG makes it more thermally conductive than most other semiconducting 2D materials, such as the transition metal chalcogenides. Our detailed analyses show that the primary reason for the counterintuitive hydrogenation-induced thermal conductivity enhancement is the weaker bond anharmonicity in HPG than PG. This leads to weaker phonon scattering after hydrogenation, despite the increase in the phonon scattering phase space. The high thermal conductivity of HPG may inspire intensive research around HPG and other derivatives of PG as potential materials for future nanoelectronic devices. The fundamental physics understood from this study may open up a new strategy to engineer thermal transport properties of other 2D materials by controlling bond anharmonicity via functionalization. PMID:27152879

  18. Separation and extraction of Co(II) using magnetic chitosan nanoparticles grafted with β-cyclodextrin and determination by FAAS

    NASA Astrophysics Data System (ADS)

    Moghimi, Ali

    2014-12-01

    A novel and selective method for the fast determination of trace amounts of Co(II) ions in water samples has been developed. The procedure is based on the selective sorption of Co(II) ions using magnetic chitosan nanoparticles grafted with β-cyclodextrin at different pH followed by elution with organic eluents and determination by atomic absorption spectrometry The preconcentration factor was 100 (1 mL elution volume) for a 100 mL sample volume. The limit of detection of the proposed method is 1.0 ng mL-1. The maximum sorption capacity of sorbent under optimum conditions has been found to be 5 mg of Co per gram of sorbent. The relative standard deviation under optimum conditions was 3.0% ( n = 10). Accuracy and applicability of the method was estimated using test samples of natural and model water with different amounts of Co(II).

  19. Crystal structure of bis­(N,N,N′,N′-tetra­methyl­guanidinium) tetra­chlorido­cuprate(II)

    PubMed Central

    Ndiaye, Mamadou; Samb, Abdoulaye; Diop, Libasse; Maris, Thierry

    2016-01-01

    In the structure of the title salt, (C5H14N3)2[CuCl4], the CuII atom in the anion lies on a twofold rotation axis. The tetra­chlorido­cuprate(II) anion adopts a flattened tetra­hedral coordination environment and inter­acts electrostatically with the tetra­methyl­guanidinium cation. The crystal packing is additionally consolidated through N—H⋯Cl and C—H⋯Cl hydrogen bonds, resulting in a three-dimensional network structure. PMID:27555960

  20. Complete mitochondrial genome of the penguin tetra, Thayeria boehlkei.

    PubMed

    Xiao, Gui-Bao; Li, Jiong-Tang; Li, Xiao-Min; Wang, Xiu-Li; Sun, Xiao-Wen

    2016-09-01

    The penguin tetra (Thayeria boehlkei) is one of the most popular aquarium fish and belongs to the family of Characidae. The composition, phylogeny, and classification of this family are uncertain. Here, the complete mitogenome of T. boehlkei was reported to be 16,524 bp in length. It contains 13 protein-coding genes, 22 transfer RNA genes and 2 ribosomal RNA genes. Comparing the mitochondrial genome of T. boehlkei with its congener Astyanax mexicanus revealed high-sequence similarity. The mitochondrial genome of T. boehlkei will contribute to conservation studies and evolution analysis of Characidae family. PMID:25707407

  1. Barium dierbium(III) tetra­sulfide

    PubMed Central

    Mesbah, Adel; Stojko, Wojciech; Ibers, James. A

    2013-01-01

    Barium dierbium(III) tetra­sulfide, BaEr2S4, crystallizes with four formula units in the ortho­rhom­bic space group Pnma in the CaFe2O4 structure type. The asymmetric unit contains two Er, one Ba, and four S atoms, each with .m. site symmetry. The structure consists of channels formed by corner- and edge-sharing ErS6 octa­hedra in which Ba atoms reside. The resultant coordination of Ba is that of a bicapped trigonal prism. PMID:23476480

  2. Blade loss transient dynamics analysis. Volume 3: User's manual for TETRA program

    NASA Technical Reports Server (NTRS)

    Black, G. R.; Gallardo, V. C.; Storace, A. S.; Sagendorph, F.

    1981-01-01

    The users manual for TETRA contains program logic, flow charts, error messages, input sheets, modeling instructions, option descriptions, input variable descriptions, and demonstration problems. The process of obtaining a NASTRAN 17.5 generated modal input file for TETRA is also described with a worked sample.

  3. 40 CFR 721.10679 - Carboxylic acid, substituted alkylstannylene ester, reaction products with inorganic acid tetra...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... alkylstannylene ester, reaction products with inorganic acid tetra alkyl ester (generic). 721.10679 Section 721... SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.10679 Carboxylic acid, substituted alkylstannylene ester, reaction products with inorganic acid tetra alkyl...

  4. Nano-accuracy measurements and the surface profiler by use of Monolithic Hollow Penta-Prism for precision mirror testing

    NASA Astrophysics Data System (ADS)

    Qian, Shinan; Wayne, Lewis; Idir, Mourad

    2014-09-01

    We developed a Monolithic Hollow Penta-Prism Long Trace Profiler-NOM (MHPP-LTP-NOM) to attain nano-accuracy in testing plane- and near-plane-mirrors. A new developed Monolithic Hollow Penta-Prism (MHPP) combined with the advantages of PPLTP and autocollimator ELCOMAT of the Nano-Optic-Measuring Machine (NOM) is used to enhance the accuracy and stability of our measurements. Our precise system-alignment method by using a newly developed CCD position-monitor system (PMS) assured significant thermal stability and, along with our optimized noise-reduction analytic method, ensured nano-accuracy measurements. Herein we report our tests results; all errors are about 60 nrad rms or less in tests of plane- and near-plane- mirrors.

  5. Effect of Ascorbate on the Cyanide-Scavenging Capability of Cobalt(III) meso-Tetra(4-N-methylpyridyl)porphine Pentaiodide: Deactivation by Reduction?

    PubMed

    Benz, Oscar S; Yuan, Quan; Cronican, Andrea A; Peterson, Jim; Pearce, Linda L

    2016-03-21

    The Co(III)-containing water-soluble metalloporphyrin cobalt(III) meso-tetra(4-N-methylpyridyl)porphine pentaiodide (Co(III)TMPyP) is a potential cyanide-scavenging agent. The rate of reduction of Co(III)TMPyP by ascorbate is facile enough that conversion to the Co(II)-containing Co(II)TMPyP should occur within minutes at prevailing in vivo levels of the reductant. It follows that any cyanide-decorporating capability of the metalloporphyrin should depend more on the cyanide-binding characteristics of Co(II)TMPyP than those of the administered form, Co(III)TMPyP. Addition of cyanide to buffered aqueous solutions of Co(II)TMPyP (pH 7.4, 25-37 °C) results in quite rapid (k2 = ∼10(3) M(-1) s(-1)) binding/substitution of cyanide anion in the two available axial positions with high affinity (K'β = 10(10) to 10(11)). Electron paramagnetic resonance spectroscopic measurements and cyclic voltammetry indicate that cyanide induces oxidation to the Co(III)-containing dicyano species. The constraints that these observations put on plausible mechanisms for the reaction of Co(II)TMPyP with cyanide are discussed. Experiments in which Co(III)TMPyP and cyanide were added to freshly drawn mouse blood showed the same sequence of reactions (metalloporphyrin reduction → cyanide binding/substitution → reoxidation) to occur. Therefore, in cyanide-scavenging applications with this metalloporphyrin, we should be taking advantage of both the improved rate of ligand substitution at Co(II) compared to that at Co(III) and the increased affinity of Co(III) for anionic ligands compared to that of Co(II). Finally, using an established sublethal mouse model for cyanide intoxication, Co(III)TMPyP, administered either 5 min before (prophylaxis) or 1 min after the toxicant, is shown to have very significant antidotal capability. Possible explanations for the results of a previous contradictory study, which failed to find any prophylactic effect of Co(III)TMPyP toward cyanide intoxication, are

  6. Uptake, p53 Pathway Activation, and Cytotoxic Responses for Co(II) and Ni(II) in Human Lung Cells: Implications for Carcinogenicity

    PubMed Central

    Luczak, Michal W.; Zhitkovich, Anatoly

    2013-01-01

    Cobalt(II) and nickel(II) ions display similar chemical properties and act as hypoxia mimics in cells. However, only soluble Co(II) but not soluble Ni(II) is carcinogenic by inhalation. To explore potential reasons for these differences, we examined responses of human lung cells to both metals. We found that Co(II) showed almost 8 times higher accumulation than Ni(II) in H460 cells but caused a less efficient activation of the transcriptional factor p53 as measured by its accumulation, Ser15 phosphorylation, and target gene expression. Unlike Ni(II), Co(II) was ineffective in downregulating the p53 inhibitor MDM4 (HDMX). Co(II)-treated cells continued DNA replication at internal doses that caused massive apoptosis by Ni(II). Apoptosis and the overall cell death by Co(II) were delayed and weaker than by Ni(II). Inhibition of caspases but not programmed necrosis pathways suppressed Co(II)-induced cell death. Knockdown of p53 produced 50%–60% decreases in activation of caspases 3/7 and expression of 2 most highly upregulated proapoptotic genes PUMA and NOXA by Co(II). Overall, p53-mediated apoptosis accounted for 55% cell death by Co(II), p53-independent apoptosis for 20%, and p53/caspase-independent mechanisms for 25%. Similar to H460, normal human lung fibroblasts and primary human bronchial epithelial cells had several times higher accumulation of Co(II) than Ni(II) and showed a delayed and weaker caspase activation by Co(II). Thus, carcinogenicity of soluble Co(II) could be related to high survival of metal-loaded cells, which permits accumulation of genetic and epigenetic abnormalities. High cytotoxicity of soluble Ni(II) causes early elimination of damaged cells and is expected to be cancer suppressive. PMID:24068677

  7. Tetra­methyl 1,4-dimethyl-13,14-dioxa­penta­cyclo­[8.2.1.14,7.02,9.03,8]tetra­deca-5,11-diene-5,6,11,12-tetra­carboxyl­ate

    PubMed Central

    Lough, Alan J.; Jack, Kelsey; Tam, William

    2012-01-01

    In the title compound, C22H24O14, the relative stereochemistry at the cyclo­butane ring is cis-anti-cis and the methyl groups in the bicyclic rings are syn to each other. The two carboxyl­ate groups attached to the same —C=C— bond are disordered over two sets of sites in a 0.603 (2):0.397 (2) ratio. In the crystal, weak C—H⋯O hydrogen bonds connect mol­ecules into C(12) chains along [001] incorporating R 2 2 2(10) rings. PMID:23125743

  8. A comparative density functional study on electrical properties of layered penta-graphene

    SciTech Connect

    Yu, Zhi Gen Zhang, Yong-Wei

    2015-10-28

    We present a comparative study of the influence of the number of layers, the biaxial strain in the range of −3% to 3%, and the stacking misalignments on the electronic properties of a new 2D carbon allotrope, penta-graphene (PG), based on hybrid-functional method within the density functional theory (DFT). In comparison with local exchange-correlation approximation in the DFT, the hybrid-functional provides an accurate description on the degree of p{sub z} orbitals localization and bandgap. Importantly, the predicted bandgap of few-layer PG has a weak layer dependence. The bandgap of monolayer PG is 3.27 eV, approximately equal to those of GaN and ZnO; and the bandgap of few-layer PG decreases slowly with the number of layers (N) and converge to 2.57 eV when N ≥ 4. Our calculations using HSE06 functional on few-layer PG reveal that bandgap engineering by stacking misalignment can further tune the bandgap down to 1.37 eV. Importantly, there is no direct-to-indirect bandgap transition in PG by varying strain, layer number, and stacking misalignment. Owing to its tunable, robustly direct, and wide bandgap characteristics, few-layer PG is promising for optoelectronic and photovoltaic applications.

  9. Highly functionalizable penta-coordinate iron hydrogen production catalysts with low overpotentials.

    PubMed

    Eady, Shawn C; Breault, Tanya; Thompson, Levi; Lehnert, Nicolai

    2016-01-21

    Penta-coordinate iron carbonyl complexes that are built around the rigid Fe(PNP) motif (PNP = (C6H5)2PN(R)P(C6H5)2) are synthesized and structurally and spectroscopically characterized. These complexes allow for facile customization of the secondary ligand sphere with various types of linkers and functional groups. The new [Fe(S2C6H4)(PNP)(CO)] complexes show dihydrogen production electrocatalysis at overpotentials of 0.09-0.21 V vs. Pt under mildly acidic conditions (and activities from 0.28 to 3.51 s(-1)). The most active compound exhibits a turnover frequency (TOF) of 3.51 s(-1) at an overpotential of only 0.15 V vs. Pt. Trends in activity are further analyzed. It is found that (a) a decrease in overpotential correlates strongly with the electron withdrawing strength of the PNP amine substituent, and (b) aliphatic substituents give comparatively higher TOFs than aromatic ones. An EC-type mechanism is shown to proceed by initial reduction of the Fe(II) metal center and proposed formation of an Fe(III) hydride intermediate. Analogous cobalt compounds were synthesized and characterized, but were found to have low stability in acidic media under turnover conditions, and hence, are unsuitable as catalysts for proton reduction. PMID:26661506

  10. Penta-prism long trace profiler (PPLTP) for measurement of grazing incidence space optics

    SciTech Connect

    Qian, S.; Li, H.; Takacs, P.Z.

    1996-05-01

    The Long Trace Profiler (LTP) is in use at a number of locations throughout the world for the measurement of the figure and mid- frequency roughness of x-ray mirrors. The standard configuration requires that the surface tested lie in a horizontal plane as the optical head is scanned along a horizontal line. For applications where gravity-induced sag of the surface cannot be tolerated, such as in x-ray telescope mirror metrology, it is desirable to measure the mirror as it is mounted in a vertical configuration. By making simple modifications to the standard LTP system, we have demonstrated that it is possible to use the LTP principle to measure the surface of x- ray mirrors and mandrels mounted in the vertical orientation. The major change in the LTP system is the use of a penta prism on a vertical translation stage to direct the probe beam onto the surface and the addition of a precision rotation stage to hold the test object. A 3-D map of the surface topography of the complete cylindrical asphere can be generated quite easily with this technique. Measurements with a prototype system indicate a slope error accuracy of better than 1 microradian is possible, with a figure error repeatability of better than 50 nm. 19 refs., 4 figs.

  11. Molecular Dynamics Study on the Distributed Plasticity of Penta-twinned Silver Nanowires

    NASA Astrophysics Data System (ADS)

    Lee, Sangryun; Ryu, Seunghwa

    2015-08-01

    The distributed plasticity of pentatwinned silver nanowires has been revealed in recent computational and experimental studies. However, the molecular dynamics (MD) simulations have not considered the imperfections seen in experiments, such as irregular surface undulations, the high aspect ratio of nanowires, and the stiffness of loading devices. In this work, we report the effect of such inherent imperfections on the distributed plasticity of penta-twinned silver nanowires in MD simulations. We find that the distributed plasticity occurs for nanowires having undulations that are less than 5% of the nanowire diameter. The elastic stress field induced by a stacking fault promotes the nucleation of successive stacking fault decahedrons (SFDs) at long distance, making it hard for necking to occur. By comparing the tensile simulation using the steered molecular dynamics (SMD) method with the tensile simulation with periodic boundary condition (PBC), we show that a sufficiently long nanowire must be used in the constant strain rate simulations with PBC, because the plastic displacement burst caused by the SFD formation induces compressive stress, promoting the removal of other SFDs. Our finding can serve as a guidance for the molecular dynamics simulation of crystalline materials with large plastic deformation, and in the design of mechanically reliable devices based on silver nanowires.

  12. Design of Compact Penta-Band and Hexa-Band Microstrip Antennas

    NASA Astrophysics Data System (ADS)

    Srivastava, Kunal; Kumar, Ashwani; Kanaujia, Binod K.

    2016-03-01

    This paper presents the design of two multi-band microstrip antennas. The antenna-1 gives Penta-Band and antenna-2 gives Hexa-band in the WLAN band. The frequency bands of the antenna-1 are Bluetooth 2.47 GHz (2.43 GHz-2.54 GHz), WiMax band 3.73 GHz (3.71 GHz-3.77 GHz), WLAN 5.1 GHz (4.99 GHz-5.13 GHz), upper WLAN 6.36 GHz (6.29 GHz-6.43 GHz), C band band 7.42 GHz (7.32 GHz-7.50 GHz) and the antenna-2 are WLAN band 2.6 GHz (2.56 GHz-2.63 GHz), 3.0 GHz (2.94 GHz-3.05 GHz), WiMax band 3.4 GHz (3.34 GHz-3.55 GHz), 4.85 GHz (4.81 GHz-4.92 GHz), WLAN 5.3 GHz (5.27 GHz-5.34 GHz) and upper WLAN 6.88 GHz. Both the antennas are fabricated and their measured results are presented to validate the simulated results. Proposed antennas have compact sizes and good radiation performances.

  13. A comparative density functional study on electrical properties of layered penta-graphene

    NASA Astrophysics Data System (ADS)

    Yu, Zhi Gen; Zhang, Yong-Wei

    2015-10-01

    We present a comparative study of the influence of the number of layers, the biaxial strain in the range of -3% to 3%, and the stacking misalignments on the electronic properties of a new 2D carbon allotrope, penta-graphene (PG), based on hybrid-functional method within the density functional theory (DFT). In comparison with local exchange-correlation approximation in the DFT, the hybrid-functional provides an accurate description on the degree of pz orbitals localization and bandgap. Importantly, the predicted bandgap of few-layer PG has a weak layer dependence. The bandgap of monolayer PG is 3.27 eV, approximately equal to those of GaN and ZnO; and the bandgap of few-layer PG decreases slowly with the number of layers (N) and converge to 2.57 eV when N ≥ 4. Our calculations using HSE06 functional on few-layer PG reveal that bandgap engineering by stacking misalignment can further tune the bandgap down to 1.37 eV. Importantly, there is no direct-to-indirect bandgap transition in PG by varying strain, layer number, and stacking misalignment. Owing to its tunable, robustly direct, and wide bandgap characteristics, few-layer PG is promising for optoelectronic and photovoltaic applications.

  14. Volvo Penta 4.3 GL E15 Emissions and Durability Test

    SciTech Connect

    Zoubul, G.; Cahoon, M.; Kolb, R.

    2011-10-01

    A new Volvo Penta carbureted 4.3 GL engine underwent emissions and dynamometer durability testing from break-in to expected end of life using an accelerated ICOMIA marine emissions cycle and E15 fuel. Only ethanol content was controlled. All aging used splash-blended E15 fuel. Exhaust emissions, exhaust gas temperature, torque, power, barometric pressure, air temperature, and fuel flow were measured at five intervals using site-blended E15 aging fuel and certification fuel (E0). The durability test cycle showed no noticeable impact on mechanical durability or engine power. Emissions performance degraded beyond the certification limit for this engine family, mostly occurring by 28% of expected life. Such degradation is inconsistent with prior experience. Comparisons showed that E15 resulted in lower CO and HC, but increased NOX, as expected for non-feedback-controlled carbureted engines with increased oxygen in the fuel. Fuel consumption also increased with E15 compared with E0. Throughout testing, poor starting characteristics were exhibited on E15 fuel for hot re-start and cold-start. Cranking time to start and smooth idle was roughly doubled compared with typical E0 operation. The carburetor was factory-set for lean operation to ensure emissions compliance. Test protocols did not include carburetor adjustment to account for increased oxygen in the E15 fuel.

  15. Two Isostructural Coordination Polymers Showing Diverse Magnetic Behaviors: Weak Coupling (Ni(II)) and an Ordered Array of Single-Chain Magnets (Co(II)).

    PubMed

    Chen, Min; Zhao, Hui; Sañudo, E Carolina; Liu, Chun-Sen; Du, Miao

    2016-04-18

    Two isomorphic 3-D complexes with the formulas [M3(TPTA) (OH)2(H2O)4]n (M = Ni for 1 and Co for 2; H4TPTA = [1,1':4',1″-terphenyl]-2',3,3″,5'-tetracarboxylic acid) have been synthesized and magnetically characterized. Complexes 1 (Ni(II)) and 2 (Co(II)) have the same 1-D rod-shaped inorganic SBUs but exhibit significantly different magnetic properties. Complex 2(Co(II)) is a 3-D arrangement of a 1-D Co(II) single-chain magnet (SCM), while complex 1(Ni(II)) exhibits weak coupling. PMID:27022765

  16. Mechanism of the tunable structural color of neon tetra

    NASA Astrophysics Data System (ADS)

    Yoshioka, Shinya

    2010-03-01

    Many examples of the structural color can be found in butterfly wings, beetle's elytra and bird feathers. Since the color-producing microstructures of these examples mainly consist of stable materials, for example, dried cuticles in insects and keratin and melanin granules in bird feathers, it is impossible to actively change the microstructure. On the other hand, some fish have the tunability in their structural colors. For example, a small tropical fish, neon tetra, has a longitudinal stripe that looks blue-green in the day time, while it changes into deep violet at night. This fact clearly indicates the variability in the microstructure. It is known that the iridophore of the stripe part of neon tetra contains two stacks of thin light-reflecting platelets that are made of guanine crystal. Since the arrangement of the platelets is observed periodic, the stack is thought to cause the structural color through the multilayer thin-film interference. Consequently, the variability in the color is thought to originate from the variation in the distance between the platelets. Two explanations have been proposed so far for the distance variation. Lythoge and Shand considered that the distance is controlled by osmotic pressure that induces the inflow of the water into the iridophore[1]. On the other hand, Nagaishi et al. proposed a different model, called Venetian blind model, in which the inclination angle of the platelets is varied, resulting in the change in the distance[2]. Recently, we have performed detailed optical measurements on the iridophore of neon tetra. We have paid particular attention to the direction of the reflected light, since the Venetian blind model expects that the direction varies with the color change owing to the tilt of the platelets. We present the experimental results and quantitatively discuss the validity of the Venetian blind model. [4pt] [1] J. N. Lythgoe, and J. Shand, J Physiol. 325, 23-34 (1982). [0pt] [2] H. Nagaishi, N. Oshima, and R

  17. Alcohol challenge and sensitivity to change of The Essential Tremor Rating Assessment Scale (TETRAS)

    PubMed Central

    Voller, Bernhard; Lines, Emily; McCrossin, Gayle; Artiles, Aaron; Tinaz, Sule; Lungu, Codrin; Hallett, Mark; Haubenberger, Dietrich

    2014-01-01

    Background The Essential Tremor (ET) Rating Assessment Scale (TETRAS) has shown excellent inter- and intra-rater reliability. To assess the scale’s ability to detect changes in tremor severity, we compared TETRAS performance with standard postural tremor accelerometry during a standardized ethanol challenge. Methods Fifteen adult ET patients received a single oral ethanol dose calculated to reach 0.05 g/dl breath alcohol content (brAC) on two different study days. Two investigators independently assessed the effects with accelerometry on one day and with TETRAS on another day. Measurements were taken at 8 time-points (2 time-points baseline and 6 time-points up to 2 hours post ethanol). Further outcome measures included brAC readings at the same time points. Results Because correlation between TETRAS and accelerometry revealed a logarithmic relation, for all comparisons, accelerometry data were log-transformed and a cumulative score logACC(R+L) was calculated. Correlation between logACC(R+L) and TETRAS was significant (r= 0.57, p<0.01). Repeated measures ANOVA for both TETRAS and accelerometry before and after ethanol showed a significant effect of time-point (F=34.6, p<0.01; F=13.5, p<0.01). Corrected post-hoc tests showed a difference between baseline and each of the following 6 time-points. TETRAS and brAC were significantly correlated (r=−0.29, p<0.01). Intra-rater test-retest analysis between baseline measures showed high correlation (ICC=0.974, p<0.001). The ethanol challenge showed excellent reproducibility. Conclusion We demonstrated sensitivity of the TETRAS performance scale to change after a therapeutic intervention. Our study provides responsiveness validity for TETRAS, further establishing its potential as a valid instrument for ET evaluation in both clinical and research settings. PMID:24123358

  18. Aging studies on thin tetra-phenyl butadiene films

    NASA Astrophysics Data System (ADS)

    Acciarri, R.; Canci, N.; Cavanna, F.; Segreto, E.; Szelc, A. M.

    2013-10-01

    Tetra-Phenyl Butadiene (TPB) is the most commonly used compound to wave-shift the 128 nm scintillation light of liquid Argon down to the visible spectrum. We present a study on the loss of conversion efficiency of thin TPB films evaporated on reflective foils when exposed to light and atmosphere. The efficiency of the films is measured and monitored with a dedicated set-up that uses gaseous Argon excited by alpha particles to produce 128 nm photons and working at room temperature. In particular we performed a two years long exposure of the samples to lab diffuse light and atmosphere. We also performed more controlled aging tests to investigate the effect of storing samples in a inert atmosphere.

  19. Tetra­yttrium(III) tris­ulfide disilicate

    PubMed Central

    Koscielski, Lukasz A.; Ibers, James A.

    2011-01-01

    Tetra­yttrium(III) tris­ulfide disilicate, Y4S3(Si2O7), crystallizes in the Sm4S3(Si2O7) structure type. The structure consists of isolated (Si2O7)6− units (2mm. symmetry) and two crystallo­graphically independent Y3+ cations bridged by one S and one O atom. The first Y atom (site symmetry .m.) is coordinated by three O atoms and three S atoms in a trigonal–prismatic arrangement whereas the second Y atom (site symmetry ..2) is coordinated by six O atoms and three S atoms in a tricapped trigonal–prismatic arrangement. PMID:21522813

  20. Crystal structure of tetra­methyl­tetra­thia­fulvalenium (1S)-camphor-10-sulfonate dihydrate

    PubMed Central

    Sommer, Mathieu; Allain, Magali; Mézière, Cécile; Pop, Flavia; Giffard, Michel

    2015-01-01

    Electro-oxidation of tetra­methyl­tetra­thia­fulvalene (TMTTF) in the presence of the chiral anion (1S)-camphor-10-sulfonate (S-camphSO3 −) in tetra­hydro­furan/water medium afforded a 1/1 salt formulated as TMTTF·S-camphSO3·2H2O or 2-(4,5-dimethyl-1,3-di­thiol-2-yl­idene)-4,5-dimethyl-1,3-di­thiole radical ion (1+) [(1S)-7,7-dimethyl-2-oxobi­cyclo­[2.2.1]heptan-1-yl]methane­sulfonate dihydrate, C10H12S4 +·C10H15O4S−·2H2O. In this salt, two independent TMTTF units are present but, in both cases, the observed bond lengths and especially the central C=C distance [1.392 (6) and 1.378 (6) Å] are in agreement with a complete oxidation of TMTTF which is thus present as TMTTF. + radical cations. These cations form one-dimensional stacks in which they are associated two by two, forming dimers with short [3.472 (1) to 3.554 (2) Å] S⋯S contacts. The two S-camphSO3 anions present also form stacks and are connected with each other via the water mol­ecules with many O—H⋯O hydrogen bonds ranging from 1.86 (3) to 2.15 (4) Å; the O—H⋯O hydrogen-bonding network can be described as being constituted of C 2 2(6) chains bearing R 3 3(11) lateral rings. On the other hand, the columns of cations and anions are connected through C—H⋯O hydrogen bonds, forming a system expanding in three directions; finally, the result is a three-dimensional network of O—H⋯O and C—H⋯O hydrogen bonds. PMID:26279858

  1. Penta-EF-Hand Protein Peflin Is a Negative Regulator of ER-To-Golgi Transport

    PubMed Central

    Held, Aaron; Sargeant, John; Thorsen, Kevin; Hay, Jesse C.

    2016-01-01

    Luminal calcium regulates vesicle transport early in the secretory pathway. In ER-to-Golgi transport, depletion of luminal calcium leads to significantly reduced transport and a buildup of budding and newly budded COPII vesicles and vesicle proteins. Effects of luminal calcium on transport may be mediated by cytoplasmic calcium sensors near ER exits sites (ERES). The penta-EF-hand (PEF) protein apoptosis-linked gene 2 (ALG-2) stabilizes sec31A at ER exit sites (ERES) and promotes the assembly of inner and outer shell COPII components. However, in vitro and intact cell approaches have not determined whether ALG-2 is a negative or positive regulator, or a regulator at all, under basal physiological conditions. ALG-2 interacts with another PEF protein, peflin, to form cytosolic heterodimers that dissociate in response to calcium. However, a biological function for peflin has not been demonstrated and whether peflin and the ALG-2/peflin interaction modulates transport has not been investigated. Using an intact, single cell, morphological assay for ER-to-Golgi transport in normal rat kidney (NRK) cells, we found that depletion of peflin using siRNA resulted in significantly faster transport of the membrane cargo VSV-G. Double depletion of peflin and ALG-2 blocked the increased transport resulting from peflin depletion, demonstrating a role for ALG-2 in the increased transport. Furthermore, peflin depletion caused increased targeting of ALG-2 to ERES and increased ALG-2/sec31A interactions, suggesting that peflin may normally inhibit transport by preventing ALG-2/sec31A interactions. This work identifies for the first time a clear steady state role for a PEF protein in ER-to-Golgi transport—peflin is a negative regulator of transport. PMID:27276012

  2. Penta-L-lysine Potentiates Fibrin-Independent Activity of Human Tissue Plasminogen Activator.

    PubMed

    Rehan, Mohammad; Sagar, Amin; Sharma, Vandna; Mishra, Sanskruti; Ashish; Sahni, Girish

    2015-10-22

    The therapeutic action of tissue plasminogen activator (t-PA) is a two-step process: (1) binding to lysine-rich fibrin (Km event) and (2) converting local plasminogen into plasmin (Kcat event). Overcoming limitations of other structural biophysics methods, we wanted to employ small-angle X-ray scattering (SAXS) to visualize what shape changes occur/accompany t-PA activation, but the prime hurdle was the polydisperse nature of the fibrin, which occluded scattering information from t-PA. Earlier, larger polylysine peptides have been used to potentiate activation of t-PA, so while screening short polylysine peptides as alternatives to fibrin or larger peptides, we found that penta-polylysine (P5) specifically activates t-PA in a dose-dependent manner, averaging to almost 3-fold more than in the absence of any peptide. SAXS data analysis confirmed that P5 does not induce association of t-PA molecules, and a narrower peak profile of the Kratky plot indicated that P5 binding quenches inherent motion in t-PA. Shape reconstruction of t-PA ∓ P5 revealed that P5 closes the "gap" between the two gross domains of t-PA, viz. fused F/E, K1 and K2 domains, and the P domain. Docking experiments suggested that, while other polylysine peptides preferentially interacted with the surfaces of kringle domains, P5 "slipped into" the gap/groove between K2 and P domains, thereby mediating a substantial increase in the number of long-range interactions between the K2 domain and exosites in the P domain. We report here dissection of shape events involved in between Km/Kcat steps of t-PA activation, which can pave the way toward the search for small molecule function regulator(s) of t-PA. PMID:26447340

  3. Crystal structure of the tetra­gonal polymorph of bis­(1-ethyl-3-methyl­imidazolium) tetra­bromido­cadmate

    PubMed Central

    Đorđević, Tamara; Gerger, Sabrina; Karanović, Ljiljana

    2016-01-01

    Both unique Cd atoms in the tetra­gonal polymorph of bis­(1-ethyl-3-methyl­imidazolium) tetra­bromido­cadmate, (C6H11N2)2[CdBr4], occupy special positions (site symmetry -4). The crystal structure consists of isolated tetra­hedral [CdBr4]2− anions which are surrounded by 1-ethyl-3-methyl­imidazolium cations. The methyl and ethyl side chains of the cations show positional disorder in a 0.590 (11):0.410 (11) ratio. In the crystal, (C6H11N2)+ cations display three weak C—H⋯Br hydrogen-bond inter­actions through the imidazolium ring H atoms with the Br− ligands of the surrounding complex anions. The alkyl groups of the side chains are not involved in hydrogen bonding. PMID:27555953

  4. Spectroscopic and mycological studies of Co(II), Ni(II) and Cu(II) complexes with 4-aminoantipyrine derivative

    NASA Astrophysics Data System (ADS)

    Sharma, Amit Kumar; Chandra, Sulekh

    2011-10-01

    Complexes of the type [M(L)X 2], where M = Co(II), Ni(II) and Cu(II), have been synthesized with novel NO-donor Schiff's base ligand, 1,4-diformylpiperazine bis(4-imino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one) which is obtained by the acid catalyzed condensation of 1,4-diformylpiperazine with 4-aminoantipyrine. The elemental analyses, molar conductance measurements, magnetic susceptibility measurements, IR, UV, NMR, mass and EPR studies of the compounds led to the conclusion that the ligand acts as tetradentate chelate. The Schiff's base ligand forms hexacoordinated complexes having octahedral geometry for Ni(II) and tetragonal geometry for Co(II) and Cu(II) complexes. The mycological studies of the compounds were examined against the several opportunistic pathogens, i.e., Alternaria brassicae, Aspergillus niger and Fusarium oxysporum. The Cu(II) complexes were found to have most fungicidal behavior.

  5. 13C NMR relaxation in neutral and charged tetra- n-alkyl compounds

    NASA Astrophysics Data System (ADS)

    Bordes, B.; Coletta, F.; Ferrarini, A.; Gottardi, F.; Nordio, P. L.

    1998-05-01

    NMR T1 relaxation times have been measured for 13C nuclei in the alkyl chains of symmetric tetra- n-alkylstannanes dissolved in CDCl 3. The results are interpreted in terms of conformational transitions occurring in the aliphatic chains superimposed to rotational diffusion of the whole molecule. A comparison with analogous tetra- n-alkylammonium salts is performed. Differences are ascribed to changes in the overall rotational diffusion deriving from effects of charge upon formation of ion-pairs and larger aggregates.

  6. (Biphenyl-2-yl)bromidobis(2-methyl-tetra-hydro-furan-κO)magnesium(II).

    PubMed

    Nordschild, Simon; Wohlgemuth, D; Bolte, Michael

    2009-01-01

    In the title Grignard reagent, [MgBr(C(12)H(9))(C(5)H(10)O)(2)], the Mg centre adopts a distorted tetra-hedral MgCO(2)Br arrangement. The dihedral angle between the two aromatic rings of the biphenyl residue is 44.00 (14)°. Each mol-ecule incorporates one R- and one S-configured 2-methyl-tetra-hydro-furan mol-ecule. PMID:21583743

  7. Ni(II) And Co(II) Sensing By Escherichia Coli RcnR

    SciTech Connect

    Iwig, J.S.; Leitch, S.; Herbst, R.W.; Maroney, M.J.; Chivers, P.T.

    2009-05-18

    Escherichia coli RcnR and Mycobacterium tuberculosis CsoR are the founding members of a recently identified, large family of bacterial metal-responsive DNA-binding proteins. RcnR controls the expression of the metal efflux protein RcnA only in response to Ni(II) and Co(II) ions. Here, the interaction of Ni(II) and Co(II) with wild-type and mutant RcnR proteins is examined to understand how these metals function as allosteric effectors. Both metals bind to RcnR with nanomolar affinity and stabilize the protein to denaturation. X-ray absorption and electron paramagnetic resonance spectroscopies reveal six-coordinate high-spin sites for each metal that contains a thiolate ligand. Experimental data support a tripartite N-terminal coordination motif (NH{sub 2}-Xaa-NH-His) that is common for both metals. However, the Ni(II)- and Co(II)-RcnR complexes are shown to differ in the remaining coordination environment. Each metal coordinates a conserved Cys ligand but with distinct M-S distances. Co(II)-thiolate coordination has not been observed previously in Ni(II)-/Co(II)-responsive metalloregulators. The ability of RcnR to recruit ligands from the N-terminal region of the protein distinguishes it from CsoR, which uses a lower coordination geometry to bind Cu(I). These studies facilitate comparisons between Ni(II)-RcnR and NikR, the other Ni(II)-responsive transcriptional regulator in E. coli, to provide a better understanding how different nickel levels are sensed in E. coli. The characterization of the Ni(II)- and Co(II)-binding sites in RcnR, in combination with bioinformatics analysis of all RcnR/CsoR family members, identified a four amino acid fingerprint that likely defines ligand-binding specificity, leading to an emerging picture of the similarities and differences between different classes of RcnR/CsoR proteins.

  8. THE BARRIERS TO RING ROTATION IN 1,1' ,4,4'-TETRA-t-BUTYLURANOCENE AND 1,1', 3,3'-TETRA-t-BUTYLFERROCENE

    SciTech Connect

    Luke, Wayne D.; Streitwieser, Jr., Andrew

    1980-10-01

    The {sup 1}H-NMR spectra of 1,1',4,4'~tetra-t~butyluranocene show a singlet for the t~butyl protons and three singlets for the ring protons. Coalescence occurs at -65 to -85°C with splitting of each peak at lower temperatures, corresponding to {Delta}G{sup {ne}} of rotation of 8.3 Kcal mol{sup -1} Coalescence was also observed for 1,1' ,3,3'- tetra-t~butylferrocene and a corresponding {Delta}G{sup {ne}} = 13.1 Kcal mol{sup 1} was obtained.

  9. Implementation of tetra-poly(ethylene glycol) hydrogel with high mechanical strength into microfluidic device technology

    PubMed Central

    Takehara, Hiroaki; Nagaoka, Akira; Noguchi, Jun; Akagi, Takanori; Sakai, Takamasa; Chung, Ung-il; Kasai, Haruo; Ichiki, Takanori

    2013-01-01

    Hydrogels have several excellent characteristics suitable for biomedical use such as softness, biological inertness and solute permeability. Hence, integrating hydrogels into microfluidic devices is a promising approach for providing additional functions such as biocompatibility and porosity, to microfluidic devices. However, the poor mechanical strength of hydrogels has severely limited device design and fabrication. A tetra-poly(ethylene glycol) (tetra-PEG) hydrogel synthesized recently has high mechanical strength and is expected to overcome such a limitation. In this research, we have comprehensively studied the implementation of tetra-PEG gel into microfluidic device technology. First, the fabrication of tetra-PEG gel/PDMS hybrid microchannels was established by developing a simple and robust bonding technique. Second, some fundamental features of tetra-PEG gel/PDMS hybrid microchannels, particularly fluid flow and mass transfer, were studied. Finally, to demonstrate the unique application of tetra-PEG-gel-integrated microfluidic devices, the generation of patterned chemical modulation with the maximum concentration gradient: 10% per 20 μm in a hydrogel was performed. The techniques developed in this study are expected to provide fundamental and beneficial methods of developing various microfluidic devices for life science and biomedical applications. PMID:24404072

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

    PubMed Central

    Al-Obaidi, Omar Hamad Shihab

    2012-01-01

    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. PMID:22611346

  11. Nanoscaled zero valent iron/graphene composite as an efficient adsorbent for Co(II) removal from aqueous solution.

    PubMed

    Xing, Min; Wang, Jianlong

    2016-07-15

    A magnetic graphene, i.e., nanoscaled zero valent iron/graphene (0FG) composite, was prepared, characterized and applied for the removal of Co(II) from aqueous solution. The magnetic graphene (0FG) was synthesized through reduction of graphene oxide (GO) and ferrous ions by potassium borohydride. The kinetics and isotherms of Co(II) adsorption onto 0FG were investigated. The mechanism for Co(II) removal was proposed based on the Fourier transform infrared (FTIR) spectroscopy, X-ray photoelectron spectroscopy (XPS) and the X-ray absorption fine structure (XAFS) analysis. The results showed that pseudo second-order models and the Freundlich isotherm model fitted well with the data obtained. The adsorption capacity of 0FG was calculated from the Langmuir isotherm, which was 65.58, 101.60 and 134.27mg/g at 10, 20 and 30°C, respectively. Thermodynamic parameters suggested that the adsorption process was endothermic and spontaneous. Co(2+) was stabilized by γ-FeOOH/γ-Fe2O3/Fe3O4 on the surface of graphene sheets, forming CoFe2O4-like nanocrystals. The coordination numbers and interatomic distances indicated that Co(2+) mainly occupied the octahedral site, while pseudo-tetrahedral coordination may occur by dehydroxylation of Co(O,OH)6. Magnetic graphene is a potential adsorbent for Co(2+) removal. PMID:27115333

  12. Redetermination of tantalum penta­bromide, (TaBr5)2

    PubMed Central

    Habermehl, Katja; Pantenburg, Ingo; Meyer, Gerd

    2010-01-01

    Crystals of di-μ-bromido-bis­[tetra­bromidotantalum(V)], (TaBr5)2, were obtained by recrystallization at 773 K. A first crystal structure study of (TaBr5)2 was reported by Rolsten [J. Am. Chem. Soc. (1958) ▶, 80, 2952–2953], who analysed the powder diffraction pattern and came to the conclusion that it crystallizes isotypically with (NbBr5)2 in a primitive ortho­rhom­bic cell. These findings are not in agreement with our current results of a monoclinic C-centred structure. (TaBr5)2 is isotypic with α-(NbCl5)2. The crystal structure contains [TaBr6] octa­hedra sharing common edges forming [TaBr5]2 dimers. Two crystallographically independent dimers with symmetries m and 2/m and Ta⋯Ta distances of 4.1574 (11) and 4.1551 (15) Å, respectively, are present in the structure. PMID:21588474

  13. Crystal structure of tetra-aqua-(di-methyl-formamide)-tetra-kis-(μ-N,2-dioxido-benzene-1-carboximidato)tetra-kis-(μ-tri-methyl-acetato)-tetra-manganese(III)sodiumyttrium-di-methyl-formamide-water (1/8.04/0.62).

    PubMed

    Travis, Jordan R; Zeller, Matthias; Zaleski, Curtis M

    2015-11-01

    The synthesis and crystal structure for the title compound, [YNaMn4(C7H4NO3)4(C5H9O2)4(H2O)3.76(C3H7NO)0.24]·8.04C3H7NO·0.62H2O or [Y(III)Na(OTMA)4[12-MCMn(III)N(shi)-4](H2O)3.76(DMF)0.24·8.04DMF·0.62H2O, where OTMA is tri-methyl-acetate, MC is metallacrown, shi(3-) is salicyl-hydroximate, and DMF is N,N-di-methyl-formamide, is reported. The macrocyclic metallacrown consists of an -[Mn(III)-N-O]4- ring repeat unit, and the metallacrown captures one Y(III) ion and one Na(I) ion in the central cavity on opposite faces of the metallacrown. Overall the metallacrown is domed towards the side of the Na(I) ion. Both the Y(III) and Na(I) ions are eight-coordinate, and the tri-methyl-acetate anions bridge the central Y(III) to each ring Mn(III) ion. The ring Mn(III) ions are six-coordinate with a tetra-gonally distorted octa-hedral geometry. PMID:26594496

  14. Penta-Twinned Copper Nanorods: Facile Synthesis via Seed-Mediated Growth and Their Tunable Plasmonic Properties

    DOE PAGESBeta

    Luo, Ming; Ruditskiy, Aleksey; Peng, Hsin-Chieh; Tao, Jing; Figueroa-Cosme, Legna; He, Zhike; Xia, Younan

    2016-01-07

    When seed-mediated growth is used as a versatile approach to the synthesis of penta-twinned Cu nanorods with uniform diameters and controllable aspect ratios is reported. The success of this approach relies on our recent synthesis of uniform Pd decahedra, with sizes in the range of 6–20 nm. The Pd decahedral seeds can direct the heterogeneous nucleation and growth of Cu along the fivefold axis to produce nanorods with uniform diameters defined by the lateral dimension of the original seeds. Due to a large mismatch in the lattice constants between Cu and Pd (7.1%), the deposited Cu is forced to growmore » along one side of the Pd decahedral seed, generating a nanorod with an asymmetric distribution of Cu, with the Pd seed situated at one of the two ends. According to extinction spectra, the as-obtained Cu nanorods can be stored in water under the ambient conditions for at least six months without noticeable degradation. The resulting stability allows us to systematically investigate the size-dependent surface plasmon resonance properties of the penta-twinned Cu nanorods. With the nanorod transverse modes positioned at 560 nm, the longitudinal modes can be readily tuned from the visible to the near-infrared region by controlling the aspect ratio.« less

  15. Penta- and hexa-coordinate ferric hemoglobins display distinct pH titration profiles measured by Soret peak shifts.

    PubMed

    Uppal, Sheetal; Kumar, Amit; Shandilya, Manish; Mukhi, Nitika; Singh, Amit Kumar; Kateriya, Suneel; Kaur, Jagreet; Kundu, Suman

    2016-10-01

    Hemoglobins with diverse characteristics have been identified in all kingdoms of life. Their ubiquitous presence indicates that these proteins play important roles in physiology, though function for all hemoglobins are not yet established with certainty. Their physiological role may depend on their ability to bind ligands, which in turn is dictated by their heme chemistry. However, we have an incomplete understanding of the mechanism of ligand binding for these newly discovered hemoglobins and the measurement of their kinetic parameters depend on their coordination at the heme iron. To gain insights into their functional role, it is important to categorize the new hemoglobins into either penta- or hexa-coordinated varieties. We demonstrate that simple pH titration and absorbance measurements can determine the coordination state of heme iron atom in ferric hemoglobins, thus providing unambiguous information about the classification of new globins. This method is rapid, sensitive and requires low concentration of protein. Penta- and hexa-coordinate hemoglobins displayed distinct pH titration profiles as observed in a variety of hemoglobins. The pentacoordinate distal histidine mutant proteins of hexacoordinate hemoglobins and ligand-bound hexacoordinate forms of pentacoordinate hemoglobins reverse the pH titration profiles, thus validating the sensitivity of this spectroscopic technique. PMID:27449132

  16. Penta- and octa-bromodiphenyl ethers promote proinflammatory protein expression in human bronchial epithelial cells in vitro.

    PubMed

    Koike, Eiko; Yanagisawa, Rie; Takigami, Hidetaka; Takano, Hirohisa

    2014-03-01

    Polybrominated diphenyl ethers (PBDEs) are widely used as flame retardants in consumer products. Humans can be exposed to PBDEs mainly through the inhalation of air or dust. Thus, PBDEs can affect respiratory and immune systems. In the present study, we investigated whether PBDEs stimulate bronchial epithelial cells. We examined commercial penta-BDE (DE-71), octa-BDE (DE-79), and deca-BDE (DE-83R). Human bronchial epithelial cells (BEAS-2B) were exposed to each PBDE for 24h. Subsequently, the expression of intercellular adhesion molecule-1 (ICAM-1) and proinflammatory cytokines were investigated. DE-71 and DE-79, but not DE-83R, significantly increased the expression of ICAM-1, interleukin-6 (IL-6), and IL-8 in BEAS-2B. Because these remarkable effects were observed with DE-71, we further investigated the underlying intracellular mechanisms. DE-71 promoted epidermal growth factor receptor (EGFR) phosphorylation. Inhibitors of EGFR-selective tyrosine kinase and p38 mitogen-activated protein kinase effectively blocked the increase of IL-6 and IL-8. Furthermore, antagonists of thyroid hormone receptor and aryl hydrocarbon receptor significantly suppressed the increase in IL-6 and/or IL-8 production. In conclusion, penta- and octa-BDE, but not deca-BDE, might promote the expression of proinflammatory proteins in bronchial epithelial cells possibly by activating protein kinases and/or stimulating nuclear receptors related to subsequent activation of transcriptional factors. PMID:24184330

  17. Tetra­kis(2-amino­pyrazine-κN 4)dichlorido­cobalt(II)

    PubMed Central

    Kang, Wei; Huo, Li-Hua; Gao, Shan; Ng, Seik Weng

    2009-01-01

    The CoII atom in the title complex, [CoCl2(C4H5N3)4], exists in an all-trans Cl2N4Co octa­hedral geometry. The CoII atom lies on a special position of 2 site symmetry. Adjacent mol­ecules are linked by N—H⋯N and N—H⋯Cl hydrogen bonds into a three-dimensional network. PMID:21578553

  18. Triaqua-1κO-μ-cyanido-1:2κN:C-penta-cyanido-2κC-tetra-kis-(dimethyl-formamide-1κO)-1-holmium(III)-2-iron(III) monohydrate.

    PubMed

    Li, Hong-Fang; Zhao, Qi-Hua; Xie, Ming-Jin; Yang, Fan

    2011-08-01

    In the bimetallic cyanide-bridged title complex, [Fe(0.98)HoRu(0.02)(CN)(6)(C(3)H(7)NO)(4)(H(2)O)(3)]·H(2)O, the Ho(III) ion is in a slightly distorted square-anti-prismatic arrangement formed by seven O atoms from four dimethyl-formamide (DMF) mol-ecules and three water mol-ecules, and one N atom from a bridging cyanide group connected with the Fe(III) atom which is octa-hedrally coordinated by six cyanide groups. In the crystal, mol-ecules are held together through O-H⋯N and O-H⋯O hydrogen-bonding inter-actions to form a three-dimensional framework. Elemental analysis of one of the precursors and the crystal shows that there is a slight contamination of Fe by Ru. The Fe site displays, therefore, small substitutional disorder with site-occupancy factors Fe/Ru = 0.98:0.02. The two methyl groups of two dimethyl-formamide ligands are positionally disordered with site-occupancy factors of 0.44 (3):0.56 (3) and 0.44 (3):0.56 (3). PMID:22090869

  19. cyclo-Tri-μ-oxido-tris-{[(η,η)-1,2-bis-(cyclo-penta-dien-yl)-1,1,2,2-tetra-methyl-disilane]zirconium(IV)}: a trimeric disila-bridged oxidozirconocene.

    PubMed

    Arnold, Thomas; Braunschweig, Holger; Gruss, Katrin

    2011-04-01

    The title compound, [Zr(3)(C(14)H(20)Si(2))(3)O(3)], consists of three disila-bridged zirconocene units, which are connected via an oxide ligand, forming a nearly planar six-membered ring with a maximum displacement of 0.0191 (8) Å. The compound was isolated as a by-product from a mixture of [(C(5)H(4)SiMe(2))(2)ZrCl(2)] and Li[AlH(4)] in Et(2)O. PMID:21753927

  20. The impact of functionalized CNT in the network of sodium alginate-based nanocomposite beads on the removal of Co(II) ions from aqueous solutions.

    PubMed

    Karkeh-Abadi, Fatemeh; Saber-Samandari, Samaneh; Saber-Samandari, Saeed

    2016-07-15

    Significant efforts have been made to develop highly efficient adsorbents to remove radioactive Co(II) ion pollutants from medical and industrial wastewaters. In this study, amide group functionalized multi-walled carbon nanotube (CNT-CONH2) imprinted in the network of sodium alginate containing hydroxyapatite, and new nanocomposite beads were synthesized. Then, they were characterized using Fourier transform infrared spectroscopy (FTIR), X-ray diffraction analysis (XRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM) and energy dispersive spectroscopy (EDS). The prepared nanocomposite beads were used as an adsorbent of Co(II) ions from an aqueous solution. The presence and distribution of Co(II) ions in the surface of the nanocomposite beads was confirmed using FESEM, EDS and metal mapping analysis. The effect of various experimental conditions such as time, pH, and initial concentration of the adsorbate solution and temperature on the adsorption capacity of the nanocomposite beads were explored. The maximum Co(II) ions adsorption capacity of the prepared nanocomposite beads with the largest surface area of 163.4m(2)g(-1) was 347.8mgg(-1) in the optimized condition. The adsorption mechanism followed a pseudo-second-order kinetic model. Furthermore, the Freundlich appears to produce better fit than the Langmuir adsorption isotherm. Finally, thermodynamic studies suggest that endothermic adsorption process of Co(II) ions is spontaneous and thermodynamically favorable. PMID:27037477

  1. Possible risks due to exposure of workers and patients with implants by TETRA transmitters.

    PubMed

    Cecil, Stefan; Neubauer, Georg; Rauscha, Friedrich; Stix, Günter; Müller, Wolfgang; Breithuber, Christian; Glanzer, Markus

    2014-04-01

    Several studies have demonstrated that mobile telephones that use different technologies, such as Global System for Mobile Communication (GSM) or Universal Mobile Telecommunication System (UMTS), have the potential to influence the functionality of active electronic implants, including cardiac pacemakers. According to these studies, a few safety measures, such as maintaining minimum distances of 25 cm between implants and transmitters, are sufficient to avoid such effects. Terrestrial Trunked Radio (TETRA) has become a well-established communication standard in many countries, including Germany and Austria. TETRA transmitters are typically used by police forces and emergency services. Employees and volunteers working for such institutions are often in close contact with patients, causing TETRA transmitters to potentially have an impact on the functionality of the implants of patients. Therefore, the main focus of our study was to investigate the functionality of several types of implants when exposed to TETRA transmitters. Moreover, we investigated the difference in the degree of exposure of users of TETRA transmitters when they carry the devices in different locations near the body, and when they use them in different positions near the head. Our results show that a compliance distance of 30 cm between implant and transmitter is sufficient to exclude any influence on the examined implants. All examined exposure conditions demonstrated that the levels were well below recommended limits. If a user wants to minimize their exposure, use of transmitters in front of the mouth leads to somewhat lower exposure when compared to typical mobile phone like use. PMID:24436224

  2. Tetra-triethyleneoxysulfonyl substituted zinc phthalocyanine for photodynamic cancer therapy.

    PubMed

    Kuzyniak, Weronika; Ermilov, Eugeny A; Atilla, Devrim; Gürek, Ayşe Gül; Nitzsche, Bianca; Derkow, Katja; Hoffmann, Björn; Steinemann, Gustav; Ahsen, Vefa; Höpfner, Michael

    2016-03-01

    Photodynamic therapy (PDT) has emerged as an effective and minimally invasive treatment option for several diseases, including some forms of cancer. However, several drawbacks of the approved photosensitizers (PS), such as insufficient light absorption at therapeutically relevant wavelengths hampered the clinical effectiveness of PDT. Phthalocyanines (Pc) are interesting PS-candidates with a strong light absorption in the favourable red spectral region and a high quantum yield of cancer cell destroying singlet oxygen generation. Here, we evaluated the suitability of tetra-triethyleneoxysulfonyl substituted zinc phthalocyanine (ZnPc) as novel PS for PDT. ZnPc-induced phototoxicity, induction of apoptosis as well as cell cycle arresting effects was studied in the human gastrointestinal cancer cell lines of different origin. Photoactivation of ZnPc-pretreated (1-10 μM) cancer cells was achieved by illumination with a broad band white light source (400-700 nm) at a power density of 10 J/cm(2). Photoactivation of ZnPc-loaded cells revealed strong phototoxic effects, leading to a dose-dependent decrease of cancer cell proliferation of up to almost 100%, the induction of apoptosis and a G1-phase arrest of the cell cycle, which was associated with decrease in cyclin D1 expression. By contrast, ZnPc-treatment without illumination did not induce any cytotoxicity, apoptosis, cell cycle arrest or decreased cell growth. Antiangiogenic effects of ZnPc-PDT were investigated in vivo by performing CAM assays, which revealed a marked degradation of blood vessels and the capillary plexus of the chorioallantoic membrane of fertilized chicken eggs. Based on our data we think that ZnPc may be a promising novel photosensitizer for innovative PDT. PMID:26162500

  3. Redetermination of cyclo-tetra­kis­(μ-5,10,15,20-tetra-4-pyridyl­porphyrinato)tetra­zinc(II) dimethyl­formamide octa­solvate trihydrate at 100 K

    PubMed Central

    Seidel, Rüdiger W.; Graf, Jürgen; Goddard, Richard; Oppel, Iris M.

    2011-01-01

    The structure of the title compound, [Zn4(C40H24N8)4]·8C3H7NO·3H2O, has been redetermined at 100 K. The redetermination is of significantly higher precision and gives further insight into the disorder of pyridyl groups and solvent mol­ecules. The mol­ecules of (5,10,15,20-tetra-4-pyridyl­porphyrinato)zinc(II) (ZnTPyP) form homomolecular cyclic tetra­mers by coordination of a peripheral pyridyl group to the central Zn atom of an adjacent symmetry-related mol­ecule. The tetra­mer so formed exhibits mol­ecular S 4 symmetry and is located about a crystallographic fourfold rotoinversion axis. Severely disordered dimethyl­formamide and water mol­ecules are present in the crystal, the contributions of which were omitted from refinement. Inter­molecular C—H⋯N hydrogen bonding is observed. PMID:21522892

  4. Blade loss transient dynamics analysis, volume 2. Task 2: TETRA 2 user's manual

    NASA Technical Reports Server (NTRS)

    Black, Gerald; Gallardo, Vincente C.

    1986-01-01

    This is the user's manual for the TETRA 2 Computer Code, a program developed in the NASA-Lewis Blade Loss Program. TETRA 2 calculates a turbine engine's dynamic structural response from applied stimuli. The calculation options are: (1) transient response; and (2) steady state forced response. Based on the method of modal syntheses, the program allows the use of linear, as well as nonlinear connecting elements. Both transient and steady state options can include: flexible Bladed Disk Module, and Nonlinear Connecting Elements (including deadband, hardening/softening spring). The transient option has the additional capability to calculate response with a squeeze film bearing module. TETRA 2 output is summarized in a plotfile which permits post processing such as FFT or graphical animation with the proper software and computer equipment.

  5. Co(II) PCP Pincer Complexes as Catalysts for the Alkylation of Aromatic Amines with Primary Alcohols.

    PubMed

    Mastalir, Matthias; Tomsu, Gerald; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl

    2016-07-15

    Efficient alkylations of amines by alcohols catalyzed by well-defined Co(II) complexes are described that are stabilized by a PCP ligand (N,N'-bis(diisopropylphosphino)-N,N'-dimethyl-1,3-diaminobenzene) based on the 1,3-diaminobenzene scaffold. This reaction is an environmentally benign process implementing inexpensive, earth-abundant nonprecious metal catalysts and is based on the acceptorless alcohol dehydrogenation concept. A range of primary alcohols and aromatic amines were efficiently converted into mono-N-alkylated amines in good to excellent isolated yields. PMID:27356282

  6. Structural, DFT and biological studies on Co(II) complexes of semi and thiosemicarbazide ligands derived from diketo hydrazide

    NASA Astrophysics Data System (ADS)

    Yousef, T. A.; El-Gammal, O. A.; Ahmed, Sara F.; Abu El-Reash, G. M.

    2014-11-01

    Three ligands have been prepared by addition ethanolic suspension of 2-hydrazino-2-oxo-N-phenyl-acetamide to phenyl isocyanate (H2PAPS), phenyl isothiocyanate (H2PAPT) and benzoyl isothiocyanate (H2PABT). The Co(II) chloride complexes were prepared and characterized by conventional techniques. The isolated complexes were assigned the formulaes, [Co(HPAPS)Cl(H2O)2]H2O, [Co(HPAPT)Cl]H2O and [Co(H2PABT)Cl2], respectively. The IR spectra of complexes shows that H2PAPS behaves as a mononegative tridentate via CO of hydrazide moiety and enolized CO of hydrazide moiety and CN (azomethine) group due to enolization of CO isocyanate moiety. H2PAPT behaves as mononegative tridentate via one CO of hydrazide moiety and thiol CS and NH groups and finally H2PABT behaves as neutral tetradentate via one CO of hydrazide moiety, CO of benzoyl moiety, Cdbnd S due to enolization of the second CO of hydrazide moiety and new CN (azomethine) groups. The vibrational frequencies of the IR spectra of ligands which were determined experimentally are compared with those obtained theoretically from DFT calculations. Also, the bond lengths, bond angles, HOMO, LUMO and dipole moments have been calculated. The calculated HOMO-LUMO energy gap reveals that charge transfer occurs within the ligand molecules. The calculated values of binding energies indicates the stability of metal complexes is higher that of ligand. Also, the kinetic and thermodynamic parameters for the different thermal degradation steps of the complexes were determined by Coats-Redfern and Horowitz-Metzger methods. The antibacterial activities were also tested against Bacillus subtilis and Escherichia coli bacteria. The free ligands showed a higher antibacterial effect than their Co(II) complexes except [Co(HPAPS)Cl(H2O)2]H2O which shows higher activity than corresponding ligand. The antitumor activities of the Ligands and their Co(II) complexes have been evaluated against liver (HePG2) and breast (MCF-7) cancer cells. All ligands

  7. Bis(thiosemicarbazonato) chelates of Co(II), Ni(II), Cu(II), Pd(II) and Pt(II)

    NASA Astrophysics Data System (ADS)

    Chandra, Sulekh; Singh, R.

    1985-01-01

    Bis chelates of Co(II), Ni(II), Cu(II), Pd(II) and Pt(II) with the enolic form of diethyl ketone and methyl n-propyl thiosemicarbazones were synthesized and characterized by elemental analyses, magnetic moments, i.r. and electronic and electron spin resonance spectral studies. All the complexes were found to have the composition ML 2 [where M = Co(II), Ni(II), Cu(II), Pd(ii) and Pt(II) and L = thiosemicarbazones of diethyl ketone and methyl n-propyl ketone]. Co(II) and Cu(II) complexes are paramagnetic and may have polymeric six-coordinate octahedral and square planar geometries, respectively. The Ni(II), Pd(II) and Pt(II) complexes are diamagnetic and may have square planar geometries. Pyridine adducts (ML 2·2Py) of Ni(II) and Cu(II) complexes were also prepared and characterized.

  8. Crystal structure of tetra­wickmanite, Mn2+Sn4+(OH)6

    PubMed Central

    Lafuente, Barbara; Yang, Hexiong; Downs, Robert T.

    2015-01-01

    The crystal structure of tetra­wickmanite, ideally Mn2+Sn4+(OH)6 [mangan­ese(II) tin(IV) hexa­hydroxide], has been determined based on single-crystal X-ray diffraction data collected from a natural sample from Långban, Sweden. Tetra­wickmanite belongs to the octa­hedral-framework group of hydroxide-perovskite minerals, described by the general formula BB’(OH)6 with a perovskite derivative structure. The structure differs from that of an ABO3 perovskite in that the A site is empty while each O atom is bonded to an H atom. The perovskite B-type cations split into ordered B and B′ sites, which are occupied by Mn2+ and Sn4+, respectively. Tetra­wickmanite exhibits tetra­gonal symmetry and is topologically similar to its cubic polymorph, wickmanite. The tetra­wickmanite structure is characterized by a framework of alternating corner-linked [Mn2+(OH)6] and [Sn4+(OH)6] octa­hedra, both with point-group symmetry -1. Four of the five distinct H atoms in the structure are statistically disordered. The vacant A site is in a cavity in the centre of a distorted cube formed by eight octa­hedra at the corners. However, the hydrogen-atom positions and their hydrogen bonds are not equivalent in every cavity, resulting in two distinct environments. One of the cavities contains a ring of four hydrogen bonds, similar to that found in wickmanite, while the other cavity is more distorted and forms crankshaft-type chains of hydrogen bonds, as previously proposed for tetra­gonal stottite, Fe2+Ge4+(OH)6. PMID:25878828

  9. Crystal structure of tetra-wickmanite, Mn(2+)Sn(4+)(OH)6.

    PubMed

    Lafuente, Barbara; Yang, Hexiong; Downs, Robert T

    2015-02-01

    The crystal structure of tetra-wickmanite, ideally Mn(2+)Sn(4+)(OH)6 [mangan-ese(II) tin(IV) hexa-hydroxide], has been determined based on single-crystal X-ray diffraction data collected from a natural sample from Långban, Sweden. Tetra-wickmanite belongs to the octa-hedral-framework group of hydroxide-perovskite minerals, described by the general formula BB'(OH)6 with a perovskite derivative structure. The structure differs from that of an ABO3 perovskite in that the A site is empty while each O atom is bonded to an H atom. The perovskite B-type cations split into ordered B and B' sites, which are occupied by Mn(2+) and Sn(4+), respectively. Tetra-wickmanite exhibits tetra-gonal symmetry and is topologically similar to its cubic polymorph, wickmanite. The tetra-wickmanite structure is characterized by a framework of alternating corner-linked [Mn(2+)(OH)6] and [Sn(4+)(OH)6] octa-hedra, both with point-group symmetry -1. Four of the five distinct H atoms in the structure are statistically disordered. The vacant A site is in a cavity in the centre of a distorted cube formed by eight octa-hedra at the corners. However, the hydrogen-atom positions and their hydrogen bonds are not equivalent in every cavity, resulting in two distinct environments. One of the cavities contains a ring of four hydrogen bonds, similar to that found in wickmanite, while the other cavity is more distorted and forms crankshaft-type chains of hydrogen bonds, as previously proposed for tetra-gonal stottite, Fe(2+)Ge(4+)(OH)6. PMID:25878828

  10. Fluorescence Correlation Spectroscopy Reveals Highly Efficient Cytosolic Delivery of Certain Penta-Arg Proteins and Stapled Peptides

    PubMed Central

    Steinauer, Angela; Rhoades, Elizabeth; Schepartz, Alanna

    2015-01-01

    We used fluorescence correlation spectroscopy (FCS) to accurately and precisely determine the relative efficiencies with which three families of “cell-penetrating peptides” traffic to the cytosol of mammalian cells. We find that certain molecules containing a “penta-arg” motif reach the cytosol, intact, with efficiencies greater than 50%. This value is at least 10-fold higher than that observed for the widely studied cationic sequence derived from HIV Tat or polyarginine Arg8, and equals that of hydrocarbon-stapled peptides that are active in cells and animals. Moreover, we show that the efficiency with which stapled peptides reach the cytosol, as determined by FCS, correlates directly with their efficacy in cell-based assays. We expect that these findings and the associated technology will aid the design of peptides, proteins, and peptide mimetics that predictably and efficiently reach the interior of mammalian cells. PMID:25679876

  11. Bis(di­methyl­formamide)­penta­kis­(μ-N,2-dioxido­benzene-1-carb­ox­imidato)tetra­kis­(1-methyl­imidazole)di-μ-propionato-penta­manganese(III)manganese(II)–di­methyl­formamide–methanol (1/0.24/1.36)

    PubMed Central

    Lutter, Jacob C.; Kampf, Jeff W.; Zeller, Matthias; Zaleski, Curtis M.

    2013-01-01

    The title compound [Mn6(C7H4NO3)5(C3H5O2)2(C4H6N2)4.17(C3H7NO)1.83]·0.24C3H7NO·1.36CH3OH or Mn(II)(C3H5O2)2[15-MCMn(III)N(shi)-5](Me—Im)4.17(DMF)1.83·0.24DMF·1.36MeOH (where MC is metallacrown, shi3− is salicyl­hydroximate, Me—Im is 1-methyl­imidazole, DMF is N,N-di­methyl­formamide, and MeOH is methanol), contains an MnII ion in the central cavity and five MnIII ions in the MC ring. The central MnII ion is seven coordinate and has a geometry best described as distorted face-capped trigonal prismatic with Φ angles of 6.13, 10.36, and 11.73° and an estimated average s/h ratio of 1.03±0.11. Four of the ring MnIII ions are six coordinate with distorted octa­hedral geometries. Two of the MnIII ions have Λ absolute stereoconfiguration, while the other two MnIII ions have a planar configuration. The fifth MnIII ion is five coordinate and has a distorted square pyramidal geometry with τ = 0.20. Three of the MnIII ions bind one 1-methyl­imidazole ligand. Two of the ring MnIII ions have a 1-methyl­imidazole and a DMF disordered over a coordination site. For one of the ring MnIII ions, the occupancy ratio of the ligands refines to 0.51 (1):0.49 (1) in favor of the DMF. For the other ring MnIII ion, the occupancy ratio of the ligands refines to 0.68 (1):0.32 (1) in favor of the 1-methyl­imidazole. Two propionate anions serve to bridge the central MnII ion between two different MnIII ions. The methyl groups of the bridging propionate anions are disordered over two positions. The methyl group disorder also induces disorder in the H atoms of the adjacent methyl­ene C atom to the same degree. For one of the propionate anions, the occupancy ratio refines to 0.752 (8):0.248 (8) and for the second, the occupancy ratio refines to 0.604 (6):0.396 (6). In addition, the disorder of the methyl group of the latter propionate anion is correlated with a partially occupied [0.604 (6)] methanol mol­ecule. Furthermore, a methanol mol­ecule and a DMF mol­ecule are positionally disordered in the lattice. The occupancy refines to 0.757 (7):0.243 (7) in favor of the methanol mol­ecule. Correlated to the occupancy of the methanol and DMF mol­ecules is a disordered benzene ring of one salicyl­hydroximate ligand. The benzene ring is disordered over two positions with an occupancy ratio of 0.757 (7):0.243 (7). Lastly, the two lattice methanol mol­ecules are hydrogen bonded to the 15-MC-5 mol­ecule. For the partially occupied methanol mol­ecule associated with the disordered propionate anion, the hydroxyl group of the methanol is hydrogen bonded to a carboxyl­ate O atom of the propionate anion. For the partially occupied methanol mol­ecule associated with the partially occupied lattice DMF mol­ecule, the hydroxyl group of the methanol is hydrogen bonded to the phenolate O atom of a salicyl­hydroximate ligand and to the carbonyl O atom of a coordinated DMF mol­ecule. PMID:24426984

  12. 2-Methyl-6-(4,4,10,13,14-penta­methyl-3-oxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetra­deca­hydro-1H-cyclo­penta­[a]phenanthren-17-yl)hept-2-enoic acid

    PubMed Central

    Arfan, Mohammad; Rauf, Abdur; Tahir, M. Nawaz; Ali, Mumtaz; Uddin, Ghias

    2011-01-01

    In the title compound, C30H46O3, an isolation product of Pistacia integerima Stewart, the five-membered ring is nearly in the envelope form. A 6-carb­oxy­hept-5-en-2-yl group is attached to the five-membered ring. An S(6) ring motif is formed due to intra­molecular C—H⋯O hydrogen bonding. In the crystal, inter­molecular O—H⋯O hydrogen bonds form carboxyl­ate dimers with R 2 2(8) ring motifs. PMID:21522454

  13. Bis(di-methyl-formamide)-penta-kis-(μ-N,2-dioxido-benzene-1-carb-ox-imidato)tetra-kis-(1-methyl-imidazole)di-μ-propionato-penta-manganese(III)manganese(II)-di-methyl-formamide-methanol (1/0.24/1.36).

    PubMed

    Lutter, Jacob C; Kampf, Jeff W; Zeller, Matthias; Zaleski, Curtis M

    2013-01-01

    The title compound [Mn6(C7H4NO3)5(C3H5O2)2(C4H6N2)4.17(C3H7NO)1.83]·0.24C3H7NO·1.36CH3OH or Mn(II)(C3H5O2)2[15-MCMn(III)N(shi)-5](Me-Im)4.17(DMF)1.83·0.24DMF·1.36MeOH (where MC is metallacrown, shi(3-) is salicyl-hydroximate, Me-Im is 1-methyl-imidazole, DMF is N,N-di-methyl-formamide, and MeOH is methanol), contains an Mn(II) ion in the central cavity and five Mn(III) ions in the MC ring. The central Mn(II) ion is seven coordinate and has a geometry best described as distorted face-capped trigonal prismatic with Φ angles of 6.13, 10.36, and 11.73° and an estimated average s/h ratio of 1.03±0.11. Four of the ring Mn(III) ions are six coordinate with distorted octa-hedral geometries. Two of the Mn(III) ions have Λ absolute stereoconfiguration, while the other two Mn(III) ions have a planar configuration. The fifth Mn(III) ion is five coordinate and has a distorted square pyramidal geometry with τ = 0.20. Three of the Mn(III) ions bind one 1-methyl-imidazole ligand. Two of the ring Mn(III) ions have a 1-methyl-imidazole and a DMF disordered over a coordination site. For one of the ring Mn(III) ions, the occupancy ratio of the ligands refines to 0.51 (1):0.49 (1) in favor of the DMF. For the other ring Mn(III) ion, the occupancy ratio of the ligands refines to 0.68 (1):0.32 (1) in favor of the 1-methyl-imidazole. Two propionate anions serve to bridge the central Mn(II) ion between two different Mn(III) ions. The methyl groups of the bridging propionate anions are disordered over two positions. The methyl group disorder also induces disorder in the H atoms of the adjacent methyl-ene C atom to the same degree. For one of the propionate anions, the occupancy ratio refines to 0.752 (8):0.248 (8) and for the second, the occupancy ratio refines to 0.604 (6):0.396 (6). In addition, the disorder of the methyl group of the latter propionate anion is correlated with a partially occupied [0.604 (6)] methanol mol-ecule. Furthermore, a methanol mol-ecule and a DMF mol-ecule are positionally disordered in the lattice. The occupancy refines to 0.757 (7):0.243 (7) in favor of the methanol mol-ecule. Correlated to the occupancy of the methanol and DMF mol-ecules is a disordered benzene ring of one salicyl-hydroximate ligand. The benzene ring is disordered over two positions with an occupancy ratio of 0.757 (7):0.243 (7). Lastly, the two lattice methanol mol-ecules are hydrogen bonded to the 15-MC-5 mol-ecule. For the partially occupied methanol mol-ecule associated with the disordered propionate anion, the hydroxyl group of the methanol is hydrogen bonded to a carboxyl-ate O atom of the propionate anion. For the partially occupied methanol mol-ecule associated with the partially occupied lattice DMF mol-ecule, the hydroxyl group of the methanol is hydrogen bonded to the phenolate O atom of a salicyl-hydroximate ligand and to the carbonyl O atom of a coordinated DMF mol-ecule. PMID:24426984

  14. (2R*,4R*,7S*,10R*,12R*)-3,11,13,15-Tetra­oxa­penta­cyclo­[5.5.3.01,7.02,4.010,12]penta­deca-5,8-dien-14-one

    PubMed Central

    Mehta, Goverdhan; Sen, Saikat; Kumar, C. S. Ananda

    2013-01-01

    The title compound, C11H8O5, features a ‘skipped’ diene, an anti-bis­(epoxide) and a cyclic carbonate, all embedded in a densely functionalized [4.4.3]propellane scaffold. The crystal packing of this diepoxide is effected primarily by C—H⋯O hydrogen bonds, which link the mol­ecules into tapes along the b axis. Inter-tape connectivity is brought about by centrosymmetrically disposed pairs of C⋯O contacts [3.183 (4) Å] between the Cδ+=Oδ- dipoles of neighbouring carbonate moieties. PMID:24098200

  15. Functional morphology of the tetra fish Astyanax lacustris differs between divergent habitats in the Pantanal wetlands.

    PubMed

    Costa-Pereira, R; Araújo, M S; Paiva, F; Tavares, L E R

    2016-08-01

    This study investigated whether the body morphology of the tetra fish Astyanax lacustris (previously Astyanax asuncionensis) varied between populations inhabiting one lagoon (a lentic, shallow environment, with great habitat complexity created by aquatic macrophytes) and an adjacent river (a deeper, lotic environment where aquatic macrophytes are scarce) in a seasonally flooded wetland, despite population mixing during the wet season. Morphological differences matched a priori predictions of the theory relating functional body morphology and swimming performance in fishes between lagoon and river habitats. Observed morphological variation could have resulted from adaptive habitat choice by tetras, predation by piscivores and adaptive phenotypic plasticity during development. PMID:27238590

  16. Blade loss transient dynamics analysis, volume 1. Task 2: TETRA 2 theoretical development

    NASA Technical Reports Server (NTRS)

    Gallardo, Vincente C.; Black, Gerald

    1986-01-01

    The theoretical development of the forced steady state analysis of the structural dynamic response of a turbine engine having nonlinear connecting elements is discussed. Based on modal synthesis, and the principle of harmonic balance, the governing relations are the compatibility of displacements at the nonlinear connecting elements. There are four displacement compatibility equations at each nonlinear connection, which are solved by iteration for the principle harmonic of the excitation frequency. The resulting computer program, TETRA 2, combines the original TETRA transient analysis (with flexible bladed disk) with the steady state capability. A more versatile nonlinear rub or bearing element which contains a hardening (or softening) spring, with or without deadband, is also incorporated.

  17. Synthesis, structural characterisation and solvatochromism of a Ni(II) and a Co(II) compound with 2-aminopyrimidine as a ligand

    NASA Astrophysics Data System (ADS)

    Song, Yufei; Massera, Chiara; van Albada, Gerard A.; Lanfredi, Anna Maria Manotti; Reedijk, Jan

    2005-01-01

    Two mononuclear complexes of formula [M(ampym) 2(SCN) 2(H 2O) 2]·2H 2O (M=Ni(II), Co(II); ampym=2-aminopyrimidine) have been synthesized and characterized by X-ray diffraction methods, IR and ligand-field spectra. The Ni(II) and Co(II) compounds, which crystallize in the triclinic space group P-1, are isostructural, and their solid structures are stabilized by hydrogen bonding and π-π interactions between aminopyrimidine rings. The compounds exhibit solvatochromism as evidenced by a UV/Vis study in different solvents.

  18. Catalysts of Cu(II) and Co(II) ions adsorbed in chitosan used in transesterification of soy bean and babassu oils - a new route for biodiesel syntheses.

    PubMed

    da Silva, Rondinelly Brandão; Lima Neto, Alcides Fernandes; Soares Dos Santos, Lucas Samuel; de Oliveira Lima, José Renato; Chaves, Mariana Helena; Dos Santos, José Ribeiro; de Lima, Geraldo Magela; de Moura, Edmilson Miranda; de Moura, Carla Verônica Rodarte

    2008-10-01

    Catalysts of Cu(II) and Co(II) adsorbed in chitosan was used in transesterification of soy bean and babassu oils. The catalysts were characterized by infrared, atomic absorption and TG, and biodiesels was characterized by infrared, NMR, CG, TG, physic chemistry analysis. The maximum adsorption values found for copper and cobalt cations were 1.584 and 1.260mgg(-1), respectively, in 180min. However, conversion of oils in biodiesel was better when used Co(II) adsorbed in chitosan. PMID:18440802

  19. Single-ion-magnet behavior in a two-dimensional coordination polymer constructed from Co(II) nodes and a pyridylhydrazone derivative.

    PubMed

    Liu, Xiangyu; Sun, Lin; Zhou, Huiliang; Cen, Peipei; Jin, Xiaoyong; Xie, Gang; Chen, Sanping; Hu, Qilin

    2015-09-21

    A novel two-dimensional (2D) coordination polymer, [Co(ppad)2]n (1), resulted from the assembly of Co(II) ions based on a versatile ligand termed N(3)-(3-pyridoyl)-3-pyridinecarboxamidrazone. Alternating/direct-current magnetic studies of compound 1 indicate that the spatially separated high-spin Co(II) ions act as single-ion magnets (SIMs). The present work represents the first case of a 2D Co(II)-based SIM composed of a monocomponent organic spacer. PMID:26347189

  20. A tetra-substituted chrysene: orientation of multiple electrophilic substitution and use of a tetra-substituted chrysene as a blue emitter for OLEDs.

    PubMed

    Ionkin, Alex S; Marshall, William J; Fish, Brian M; Bryman, Lois M; Wang, Ying

    2008-05-28

    The first tetra-substituted non-fused chrysene, 3,6,9,12-tetrakis(4-tert-butylphenyl)chrysene with blue electroluminescence at 450 nm, and with a radiance of 500 cd m(-2), was synthesized by a two-step procedure: direct bromination of chrysene in trimethyl phosphate, followed by palladium-catalyzed cross-coupling of tetrabromochrysene and tert-butylphenylboronic acid . PMID:18473056

  1. Synthesis, Structure, and Reactivity of Co(II) and Ni(II) PCP Pincer Borohydride Complexes

    PubMed Central

    2015-01-01

    The 15e square-planar complexes [Co(PCPMe-iPr)Cl] (2a) and [Co(PCP-tBu)Cl] (2b), respectively, react readily with NaBH4 to afford complexes [Co(PCPMe-iPr)(η2-BH4)] (4a) and [Co(PCP-tBu)(η2-BH4)] (4b) in high yields, as confirmed by IR spectroscopy, X-ray crystallography, and elemental analysis. The borohydride ligand is symmetrically bound to the cobalt center in η2-fashion. These compounds are paramagnetic with effective magnetic moments of 2.0(1) and 2.1(1) μB consistent with a d7 low-spin system corresponding to one unpaired electron. None of these complexes reacted with CO2 to give formate complexes. For structural and reactivity comparisons, we prepared the analogous Ni(II) borohydride complex [Ni(PCPMe-iPr)(η2-BH4)] (5) via two different synthetic routes. One utilizes [Ni(PCPMe-iPr)Cl] (3) and NaBH4, the second one makes use of the hydride complex [Ni(PCPMe-iPr)H] (6) and BH3·THF. In both cases, 5 is obtained in high yields. In contrast to 4a and 4b, the borohydride ligand is asymmetrically bound to the nickel center but still in an η2-mode. [Ni(PCPMe-iPr)(η2-BH4)] (5) loses readily BH3 at elevated temperatures in the presence of NEt3 to form 6. Complexes 5 and 6 are both diamagnetic and were characterized by a combination of 1H, 13C{1H}, and 31P{1H} NMR, IR spectroscopy, and elemental analysis. Additionally, the structure of these compounds was established by X-ray crystallography. Complexes 5 and 6 react with CO2 to give the formate complex [Ni(PCPMe-iPr)(OC(C=O)H] (7). The extrusion of BH3 from [Co(PCPMe-iPr)(η2-BH4)] (4a) and [Ni(PCPMe-iPr)(η2-BH4)] (5) with the aid of NH3 to yield the respective hydride complexes [Co(PCPMe-iPr)H] and [Ni(PCPMe-iPr)H] (6) and BH3NH3 was investigated by DFT calculations showing that formation of the Ni hydride is thermodynamically favorable, whereas the formation of the Co(II) hydride, in agreement with the experiment, is unfavorable. The electronic structures and the bonding of the borohydride ligand in [Co

  2. Ethane-1,2-diaminium bis­{5-[4-(1H-tetra­zol-5-yl)phen­yl]tetra­zolide} dihydrate

    PubMed Central

    Li, Chun-Rong; Xia, Zheng-Qiang

    2011-01-01

    In the two anions of the title salt, C2H10N2 2+·2C8H5N8 −·2H2O, the central aromatic rings make dihedral angles of 13.53 (6) and 6.53 (7)° with the deprotonated tetra­zole rings, and 11.39 (6) and 10.41 (9)° with the other tetra­zole groups. In the crystal, the cations, anions and water mol­ecules are linked by an extensive O—H⋯N, N—H⋯O and N—H⋯N hydrogen-bond network into two-dimensional wave-like duplex sheets extending parallel to the bc plane. π–π stacking inter­actions between benzene rings [inter­centroid distances are 3.8482 (4) and 3.9621 (5) Å] and between tetra­zole rings [inter­centroid distances are 3.4350 (4) and 3.7169 (4) Å] further consolidate the crystal structure. PMID:22059036

  3. Probing bistability in Fe(II) and Co(II) complexes with an unsymmetrically substituted quinonoid ligand.

    PubMed

    van der Meer, Margarethe; Rechkemmer, Yvonne; Breitgoff, Frauke D; Dechert, Sebastian; Marx, Raphael; Dörfel, María; Neugebauer, Petr; van Slageren, Joris; Sarkar, Biprajit

    2016-05-28

    The generation of molecular platforms, the properties of which can be influenced by a variety of external perturbations, is an important goal in the field of functional molecular materials. We present here the synthesis of a new quinonoid ligand platform containing an [O,O,O,N] donor set. The ligand is derived from a chloranilic acid core by using the [NR] (nitrogen atom with a substituent R) for [O] isoelectronic substitution. Mononuclear Fe(II) and Co(II) complexes have been synthesized with this new ligand. Results obtained from single crystal X-ray crystallography, NMR spectroscopy, (spectro)electrochemistry, SQUID magnetometry, multi-frequency EPR spectroscopy and FIR spectroscopy are used to elucidate the electronic and geometric structures of the complexes. Furthermore, we show here that the spin state of the Fe(II) complex can be influenced by temperature, pressure and light and the Co(II) complex displays redox-induced spin-state switching. Bistability is observed in the solid-state as well as in solution for the Fe(II) complex. The new ligand presented here, owing to the [NR] group present in it, will likely have more adaptability while investigating switching phenomena compared to its [O,O,O,O] analogues. Thus, such classes of ligands as well as the results obtained on the reversible changes in physical properties of the metal complexes are likely to contribute to the generation of multifunctional molecular materials. PMID:27109712

  4. Secondary ligand-directed assembly of Co(II) coordination polymers based on a pyridine carboxylate ligand

    NASA Astrophysics Data System (ADS)

    Cao, Ke-Li; Zhang, Yi-Ping; Cai, Yi-Ni; Xu, Xiao-Wei; Feng, Yun-Long

    2014-07-01

    To investigate the influence of hydrogen bonds and secondary ligands on the structures and properties of the resulting frameworks, five new Co(II) compounds have been synthesized by the reactions of Co(II) salts and 3,5-bis(pyridin-4-ylmethoxy)benzoic acid (HL) with four rationally selected dicarboxylic acid ligands. Without secondary ligand, we got one compound [CoL2(H2O)2]n·2nH2O (1), which possesses a 1D chain structure. In the presence of ancillary ligands, namely, 1,3-adamantanedicarboxylic acid (H2adbc), terephthalic acid (H2tpa), thiophene-2,5-dicarboxylic acid (H2tdc) and 1,4-benzenedithioacetic acid (H2bdtc), four 3D structures [Co2L2(adbc)]n·nH2O (2), [Co2L2(tpa)]n (3), [Co2L2(tdc)]n (4), [Co2L2(bdtc)(H2O)]n (5) were obtained, respectively. It can be observed from the architectures of 1-5 that hydrogen bonds and secondary ligands both have great effects on the spatial connective fashions, resulting in the formation of various dimensional compounds. The XRPD, TGA data of title polymers and the magnetic properties for 2 and 5 have also been investigated.

  5. Iron Oxide Impregnated Morus alba L. Fruit Peel for Biosorption of Co(II): Biosorption Properties and Mechanism

    PubMed Central

    Koduru, Janardhan Reddy; Chang, Yoon-Young; Yang, Jae-Kyu; Kim, Im-Soon

    2013-01-01

    Biosorption is an ecofriendly wastewater treatment technique with high efficiency and low operating cost involving simple process for the removal of heavy metal ions from aqueous solution. In the present investigation, Morus alba L. fruit peel powder (MAFP) and iron oxide impregnated Morus alba L. fruit peel powder (IO-MAFP) were prepared and used for treating Co(II) contaminated aqueous solutions. Further the materials were characterized by using FTIR and SEM-EDX analysis. From FT-IR analysis it was found that hydroxyl, methoxy, and carbonyl groups are responsible for Co(II) biosorption. The kinetic data obtained for both biosorbents was well fitted with pseudo-second-order kinetic model. The equilibrium data was in tune with the Langmuir and Freundlich isotherm models. The thermodynamic studies were also carried and it was observed that sorption process was endothermic at 298–328 K. These studies demonstrated that both biosorbents were promising, efficient, economic, and biodegradable sorbents. PMID:24324384

  6. Cleavage of recombinant proteins at poly-His sequences by Co(II) and Cu(II)

    PubMed Central

    Andberg, Martina; Jäntti, Jussi; Heilimo, Sara; Pihkala, Päivi; Paananen, Arja; Koskinen, Ari M.P.; Söderlund, Hans; Linder, Markus B.

    2007-01-01

    Improved ways to cleave peptide chains at engineered sites easily and specifically would form useful tools for biochemical research. Uses of such methods include the activation or inactivation of enzymes or the removal of tags for enhancement of recombinant protein expression or tags used for purification of recombinant proteins. In this work we show by gel electrophoresis and mass spectroscopy that salts of Co(II) and Cu(II) can be used to cleave fusion proteins specifically at sites where sequences of His residues have been introduced by protein engineering. The His residues could be either consecutive or spaced with other amino acids in between. The cleavage reaction required the presence of low concentrations of ascorbate and in the case of Cu(II) also hydrogen peroxide. The amount of metal ions required for cleavage was very low; in the case of Cu(II) only one to two molar equivalents of Cu(II) to protein was required. In the case of Co(II), 10 molar equivalents gave optimal cleavage. The reaction occurred within minutes, at a wide pH range, and efficiently at temperatures ranging from 0°C to 70°C. The work described here can also have implications for understanding protein stability in vitro and in vivo. PMID:17600148

  7. Removal of Co(II) from waste water using dry cow dung powder : a green ambrosia to soil

    NASA Astrophysics Data System (ADS)

    Bagla, Hemlata; Khilnani, Roshan

    2015-04-01

    Co(II) is one of the hazardous products found in the waste streams. The anthropogenic activities are major sources of Co(II) in our environment. Some of the well-established processes such as chemical precipitation, membrane process, liquid extraction and ion exchange have been applied as a tool for the removal of this metal ion [1]. All the above methods are not considered to be greener due to some of their shortcomings such as incomplete metal ion removal, high requirement of energy and reagents, generation of toxic sludge or other waste materials which in turn require further treatments for their cautious disposal. The present investigation entails the application of dry cow dung powder (DCP) as an indigenous, inexpensive and eco-friendly material for the removal of Co(II) from aqueous medium. DCP, is naturally available bio-organic, complex, polymorphic humified fecal matter of cow and is enriched with minerals, carbohydrates, fats, proteins, bile pigments, aliphatic-aromatic species such as 'Humic acid' (HA), Fulvic acid, Ulmic acid [2,3]. Batch biosorption experiments were conducted employing 60Co(II) as a tracer and effect of various process parameters such as pH (1-8), temperature (283-363K), amount of biosorbent (5-40 g/L), time of equilibration (0-30 min), agitation speed (0-4000 rpm), concentration of initial metal ions (0.5-20 mg/mL) and interfering effect of different organic as well as inorganic salts were studied. The Kinetic studies were carried out employing various models but the best fitting was given by Lagergren Pseudo-second order model [4] with high correlation coefficient R2 value of 0.999 and adsorption capacity of 2.31 mg/g. The thermodynamic parameters for biosorption were also evaluated which indicated spontaneous and exothermic process with high affinity of DCP for Co(II). Many naturally available materials are used for biosorption of hazardous metal pollutants, where most of them are physically or chemically modified. In this research

  8. Mechanism of HERG potassium channel inhibition by tetra-n-octylammonium bromide and benzethonium chloride

    PubMed Central

    Long, Yan; Lin, Zuoxian; Xia, Menghang; Zheng, Wei; Li, Zhiyuan

    2016-01-01

    Tetra-n-octylammonium bromide and benzethonium chloride are synthetic quaternary ammonium salts that are widely used in hospitals and industries for the disinfection and surface treatment and as the preservative agent. Recently, the activities of HERG channel inhibition by these compounds have been found to have potential risks to induce the long QT syndrome and cardiac arrhythmia, although the mechanism of action is still elusive. This study was conducted to investigate the mechanism of HERG channel inhibition by these compounds using whole-cell patch clamp experiments in a CHO cell line stably expressing HERG channels. Tetra-n-octylammonium bromide and benzethonium chloride exhibited concentration-dependent inhibitions of HERG channel currents with IC50 values of 4 nM and 17 nM, respectively, which were also voltage-dependent and use-dependent. Both compounds shifted the channel activation I-V curves in a hyperpolarized direction for 10-15 mV and accelerated channel activation and inactivation processes by 2-fold. In addition, tetra-n-octylammonium bromide shifted the inactivation I-V curve in a hyperpolarized direction for 24.4 mV and slowed the rate of channel deactivation by 2-fold, whereas benzethonium chloride did not. The results indicate that tetra-n-octylammonium bromide and benzethonium chloride are open-channel blockers that inhibit HERG channels in the voltage-dependent, use-dependent and state-dependent manners. PMID:23313619

  9. 40 CFR 721.3560 - Derivative of tetra-chloro-ethy-lene.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... Health Administration regulations and set forth at 29 CFR 1910.134, and 30 CFR part 11, respectively, and... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Derivative of tetra-chloro-ethy-lene. 721.3560 Section 721.3560 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED)...

  10. 40 CFR 721.3560 - Derivative of tetra-chloro-ethy-lene.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Derivative of tetra-chloro-ethy-lene. 721.3560 Section 721.3560 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.3560 Derivative...

  11. 40 CFR 721.3560 - Derivative of tetra-chloro-ethy-lene.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... Health Administration regulations and set forth at 29 CFR 1910.134, and 30 CFR part 11, respectively, and... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Derivative of tetra-chloro-ethy-lene. 721.3560 Section 721.3560 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED)...

  12. 40 CFR 721.3560 - Derivative of tetra-chloro-ethy-lene.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... Health Administration regulations and set forth at 29 CFR 1910.134, and 30 CFR part 11, respectively, and... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Derivative of tetra-chloro-ethy-lene. 721.3560 Section 721.3560 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED)...

  13. 40 CFR 721.3560 - Derivative of tetra-chloro-ethy-lene.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Derivative of tetra-chloro-ethy-lene. 721.3560 Section 721.3560 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.3560 Derivative...

  14. Tetrahymena functional genomics database (TetraFGD): an integrated resource for Tetrahymena functional genomics.

    PubMed

    Xiong, Jie; Lu, Yuming; Feng, Jinmei; Yuan, Dongxia; Tian, Miao; Chang, Yue; Fu, Chengjie; Wang, Guangying; Zeng, Honghui; Miao, Wei

    2013-01-01

    The ciliated protozoan Tetrahymena thermophila is a useful unicellular model organism for studies of eukaryotic cellular and molecular biology. Researches on T. thermophila have contributed to a series of remarkable basic biological principles. After the macronuclear genome was sequenced, substantial progress has been made in functional genomics research on T. thermophila, including genome-wide microarray analysis of the T. thermophila life cycle, a T. thermophila gene network analysis based on the microarray data and transcriptome analysis by deep RNA sequencing. To meet the growing demands for the Tetrahymena research community, we integrated these data to provide a public access database: Tetrahymena functional genomics database (TetraFGD). TetraFGD contains three major resources, including the RNA-Seq transcriptome, microarray and gene networks. The RNA-Seq data define gene structures and transcriptome, with special emphasis on exon-intron boundaries; the microarray data describe gene expression of 20 time points during three major stages of the T. thermophila life cycle; the gene network data identify potential gene-gene interactions of 15 049 genes. The TetraFGD provides user-friendly search functions that assist researchers in accessing gene models, transcripts, gene expression data and gene-gene relationships. In conclusion, the TetraFGD is an important functional genomic resource for researchers who focus on the Tetrahymena or other ciliates. Database URL: http://tfgd.ihb.ac.cn/ PMID:23482072

  15. Tetra-allelic SNPs: Informative forensic markers compiled from public whole-genome sequence data.

    PubMed

    Phillips, C; Amigo, J; Carracedo, Á; Lareu, M V

    2015-11-01

    Multiple-allele single nucleotide polymorphisms (SNPs) are potentially useful for forensic DNA analysis as they can provide more discrimination power than normal binary SNPs. In addition, the presence in a profile of more than two alleles per marker provides a clearer indication of mixed DNA than assessments of imbalanced signals in the peak pairs of binary SNPs. Using the 1000 Genomes Phase III human variant data release of 2014 as the starting point, this study collated 961 tetra-allelic SNPs that pass minimum sequence quality thresholds and where four separate nucleotide substitution alleles were detected. Although most of these loci had three of the four alleles in combined frequencies of 2% or less, 160 had high heterozygosities with 50 exceeding those of 'ideal' 0.5:0.5 binary SNPs. From this set of most polymorphic tetra-allelic SNPs, we identified markers most informative for forensic purposes and explored these loci in detail. Subsets of the most polymorphic tetra-allelic SNPs will make useful additions to current panels of forensic identification SNPs and ancestry-informative SNPs. The 24 most discriminatory tetra-allelic SNPs were estimated to detect more than two alleles in at least one marker per profile in 99.9% of mixtures of African contributors. In European contributor mixtures 99.4% of profiles would show multiple allele patterns, but this drops to 92.6% of East Asian contributor mixtures due to reduced levels of polymorphism for the 24 SNPs in this population group. PMID:26209763

  16. 21 CFR 177.1660 - Poly (tetra-methyl-ene tere-phtha-late).

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Poly (tetra-methyl-ene tere-phtha-late). 177.1660 Section 177.1660 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) INDIRECT FOOD ADDITIVES: POLYMERS Substances for Use as Basic Components of Single and...

  17. 21 CFR 177.1660 - Poly (tetra-methylene tereph-thalate).

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Poly (tetra-methylene tereph-thalate). 177.1660 Section 177.1660 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) INDIRECT FOOD ADDITIVES: POLYMERS Substances for Use as Basic Components of Single and Repeated...

  18. 40 CFR 180.1281 - S-Abscisic Acid, (S)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methyl-penta-(2Z,4E...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 25 2013-07-01 2013-07-01 false S-Abscisic Acid, (S)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methyl-penta-(2Z,4E)-dienoic Acid; exemption from the...-enyl)-3-methyl-penta-(2Z,4E)-dienoic Acid; exemption from the requirement of a tolerance. An...

  19. 40 CFR 180.1281 - S-Abscisic Acid, (S)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methyl-penta-(2Z,4E...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false S-Abscisic Acid, (S)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methyl-penta-(2Z,4E)-dienoic Acid; exemption from the...-enyl)-3-methyl-penta-(2Z,4E)-dienoic Acid; exemption from the requirement of a tolerance. An...

  20. 40 CFR 180.1281 - S-Abscisic Acid, (S)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methyl-penta-(2Z,4E...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 25 2012-07-01 2012-07-01 false S-Abscisic Acid, (S)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methyl-penta-(2Z,4E)-dienoic Acid; exemption from the...-enyl)-3-methyl-penta-(2Z,4E)-dienoic Acid; exemption from the requirement of a tolerance. An...

  1. 40 CFR 180.1281 - S-Abscisic Acid, (S)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methyl-penta-(2Z,4E...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 24 2011-07-01 2011-07-01 false S-Abscisic Acid, (S)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methyl-penta-(2Z,4E)-dienoic Acid; exemption from the...-enyl)-3-methyl-penta-(2Z,4E)-dienoic Acid; exemption from the requirement of a tolerance. An...

  2. Mechanism of HERG potassium channel inhibition by tetra-n-octylammonium bromide and benzethonium chloride

    SciTech Connect

    Long, Yan; Lin, Zuoxian; Xia, Menghang; Zheng, Wei; Li, Zhiyuan

    2013-03-01

    Tetra-n-octylammonium bromide and benzethonium chloride are synthetic quaternary ammonium salts that are widely used in hospitals and industries for the disinfection and surface treatment and as the preservative agent. Recently, the activities of HERG channel inhibition by these compounds have been found to have potential risks to induce the long QT syndrome and cardiac arrhythmia, although the mechanism of action is still elusive. This study was conducted to investigate the mechanism of HERG channel inhibition by these compounds by using whole-cell patch clamp experiments in a CHO cell line stably expressing HERG channels. Tetra-n-octylammonium bromide and benzethonium chloride exhibited concentration-dependent inhibitions of HERG channel currents with IC{sub 50} values of 4 nM and 17 nM, respectively, which were also voltage-dependent and use-dependent. Both compounds shifted the channel activation I–V curves in a hyperpolarized direction for 10–15 mV and accelerated channel activation and inactivation processes by 2-fold. In addition, tetra-n-octylammonium bromide shifted the inactivation I–V curve in a hyperpolarized direction for 24.4 mV and slowed the rate of channel deactivation by 2-fold, whereas benzethonium chloride did not. The results indicate that tetra-n-octylammonium bromide and benzethonium chloride are open-channel blockers that inhibit HERG channels in the voltage-dependent, use-dependent and state-dependent manners. - Highlights: ► Tetra-n-octylammonium and benzethonium are potent HERG channel inhibitors. ► Channel activation and inactivation processes are accelerated by the two compounds. ► Both compounds are the open-channel blockers to HERG channels. ► HERG channel inhibition by both compounds is use-, voltage- and state dependent. ► The in vivo risk of QT prolongation needs to be studied for the two compounds.

  3. DNA binding, photoactivated DNA cleavage and cytotoxic activity of Cu(II) and Co(II) based Schiff-base azo photosensitizers

    NASA Astrophysics Data System (ADS)

    Pradeepa, S. M.; Bhojya Naik, H. S.; Vinay Kumar, B.; Indira Priyadarsini, K.; Barik, Atanu; Prabhakara, M. C.

    2015-04-01

    A new class of Cu(II) and Co(II) complexes of azo-containing Schiff base of the type [Cu(L1)2] and [Co(L1)2], where L1 = 4-[(E)-{2-hydroxy-3-[(E)-(4-bromophenyl)diazenyl]benzylidene}amino]benzoic acid have been synthesized and characterized. Extension of conjugation and the presence of free carboxylic acid group of the ligand L1 increased the wavelength of the complexes from visible region to the near IR region (620-850 nm). The Cu(II) and Co(II) complexes interacted with CT-DNA via intercalative mode with the respective Kb value of 3.2 × 104 M-1 and 2.9 × 104 M-1 and acted as proficient photocleavers of SC pUC19 DNA in UV-A light, forming 1O2 as the reactive oxygen species with the quantum yield of 0.38 and 0.36, respectively. Furthermore, the Cu(II) and Co(II) complexes showed photocytotoxicity toward two selected tumor cell lines MCF-7 and A549 by 3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazoliumbromide (MTT) method, and the Cu(II) complex exhibits higher photocytotoxicity than Co(II) complex against each of the selected cell lines, this result is identical with their DNA binding ability order.

  4. Synthesis, spectral characterization and biological activities of Mn(II) and Co(II) complexes with benzyloxybenzaldehyde-4-phenyl-3-thiosemicarbazone

    NASA Astrophysics Data System (ADS)

    Prathima, B.; Subba Rao, Y.; Ramesh, G. N.; Jagadeesh, M.; Reddy, Y. P.; Chalapathi, P. V.; Varada Reddy, A.

    2011-06-01

    Mn(II) and Co(II) complexes of benzyloxybenzaldehyde-4-phenyl-3-thiosemicarbazone have been synthesized and characterized by the investigations of electronic and EPR spectra and X-ray diffraction. Based on the spectral studies, an octahedral geometry is assigned for the Mn(II) and Co(II) complexes. X-ray powder diffraction studies reveal that Mn(II) and Co(II) complexes have triclinic crystal lattices. The unit cell parameters of the Mn(II) complex are a = 11.0469 Å, b = 6.2096 Å, c = 7.4145 Å, α = 90.646°, β = 95.127°, γ = 104.776°, V = 489.7 Å 3 and those of Co(II) complex are a = 9.3236 Å, b = 10.2410 Å, c = 7.8326 Å, α = 90.694°, β = 99.694°, γ = 100.476°, V = 724.2 Å 3. When the free ligand and its metal complexes are subjected to antibacterial activity, the metal complexes are proved to be more active than the ligand. However with regard to in vitro antioxidant activity, the ligand exhibits greater antioxidant activity than its metal(II) complexes.

  5. Highly stable water dispersible calix[4]pyrrole octa-hydrazide protected gold nanoparticles as colorimetric and fluorometric chemosensors for selective signaling of Co(II) ions

    NASA Astrophysics Data System (ADS)

    Bhatt, Keyur D.; Vyas, Disha J.; Makwana, Bharat A.; Darjee, Savan M.; Jain, Vinod K.

    2014-03-01

    Water dispersible stable gold nanoparticles (AuNps) have been synthesized by using calix[4]pyrrole octa-hydrazide (CPOH) as a reducing as well as stabilizing agent. CPOH-AuNps have been characterized by surface plasmon resonance, particle size analyzer and transmission electron microscopy. CPOH-AuNps are water dispersible, highly stable for more than 150 days at neutral pH with a size of less than 10 nm and zeta potential of 15 ± 2 MeV. Ion sensing property of CPOH-AuNps has been investigated for various metal ions Pb(II), Cd(II), Mn(II), Fe(III), Ni(II), Zn(II), Hg(II), Co(II) and Cu(II) by colorimetry and spectrofluorimetry. Among all the metal ions investigated, only Co(II) ions gives sharp colour change from ruby red to blue and is easily detectable by naked-eye. CPOH-AuNps being fluorescent in nature also shows great sensitivity and selectivity for Co(II) ions. Co(II) ions can be selectively detected at very low concentration level of 1 nM in a facile way of fluorescence quenching.

  6. Hydrothermal self-assembly and supercapacitive behaviors of Co(II) ion-modified graphene aerogels in H{sub 2}SO{sub 4} electrolyte

    SciTech Connect

    Bao, Qi; Hui, K.N.; Hui, K.S.; Wang, Yi; Hong, Xiaoting

    2014-08-15

    Highlights: • 3D Co(II) ions modified graphene aerogels were prepared by one-step hydrothermal process. • The aerogel electrodes showed hybrid supercapacitor behaviors. • The aerogel electrodes exhibited high rate capability and long-term cycling stability. - Abstract: Reduced graphene oxide (r-GO) aerogels decorated with divalent cobalt ions were synthesized via a one-pot hydrothermal self-assembly route. The interaction of Co(II) ions with 3D r-GO aerogels was investigated by spectroscopic techniques, including Raman, attenuated total reflectance infrared, and X-ray photoelectron spectroscopies. The excellent electrochemical properties of the aerogels were confirmed by cyclic voltammetry, galvanostatic charge/discharge tests, and electrochemical impedance spectroscopy in an acid electrolyte (1 M H{sub 2}SO{sub 4}). The Co(II) ion-modified r-GO aerogels can be used as high-performance hybrid supercapacitor materials with a specific capacitance of 387.2 F g{sup –1} at 1 A g{sup –1} current density and a good cycling stability without capacity decay over 1000 cycles. The mechanical integrity enhancement of the hybrid r-GO aerogel framework and the improvement in its unique capacitive performance are attributed to the efficient interconnection produced by electro-active Co(II) ions.

  7. H-point standard addition method for simultaneous spectrophotometric determination of Co(II) and Ni(II) by 1-(2-pyridylazo)2-naphthol in micellar media.

    PubMed

    Afkhami, Abbas; Bahram, Morteza

    2004-01-01

    A very simple and selective spectrophotometric method for simultaneous determination of Co(II) and Ni(II) by 1-(2-pyridylazo) 2-naphthol (PAN), in micellar media, using H-point standard addition method (HPSAM) is described. The ligand and its metal complexes (Co(II)-PAN and Ni(II)-PAN) were made water-soluble by the neutral surfactant Triton X-100, and therefore, no extraction with organic solvents was required. Formation of both the complexes was complete within 10 min at pH 9 (adjusted by ammonia buffer). The linear range was 0.10-2.00 microg ml(-1) for Co(II) and 0.05-1.50 microg ml(-1) for Ni(II). The relative standard deviation (R.S.D.) for the simultaneous determination of 0.50 microg ml(-1) each of Co(II) and Ni(II) was 2.32 and 3.13%, respectively. Interference effects of common anions and cations were studied and the method was applied to simultaneous determination of Co(II) and Ni(II) in alloy samples. The method was compared with derivative spectrophotometric method. PMID:14670476

  8. Ferromagnetic coupling mediated by Coπ non-covalent contacts in a pentacoordinate Co(ii) compound showing field-induced slow relaxation of magnetization.

    PubMed

    Nemec, I; Herchel, R; Trávníček, Z

    2016-08-01

    [Co(II)(dpt)(NCS)2], where dpt = bis(3-aminopropyl)amine, was identified as a pentacoordinate Co(II) compound showing field-induced slow relaxation of magnetization. Furthermore, intermolecular ferromagnetic coupling mediated by Coπ non-covalent contacts, where π orbitals originate from the thiocyanato ligand, is reported for the first time. PMID:27435418

  9. Secondary ligand-directed assembly of Co(II) coordination polymers based on a pyridine carboxylate ligand

    SciTech Connect

    Cao, Ke-Li; Zhang, Yi-Ping; Cai, Yi-Ni; Xu, Xiao-Wei; Feng, Yun-Long

    2014-07-01

    To investigate the influence of hydrogen bonds and secondary ligands on the structures and properties of the resulting frameworks, five new Co(II) compounds have been synthesized by the reactions of Co(II) salts and 3,5-bis(pyridin-4-ylmethoxy)benzoic acid (HL) with four rationally selected dicarboxylic acid ligands. Without secondary ligand, we got one compound [CoL{sub 2}(H{sub 2}O){sub 2}]{sub n}·2nH{sub 2}O (1), which possesses a 1D chain structure. In the presence of ancillary ligands, namely, 1,3-adamantanedicarboxylic acid (H{sub 2}adbc), terephthalic acid (H{sub 2}tpa), thiophene-2,5-dicarboxylic acid (H{sub 2}tdc) and 1,4-benzenedithioacetic acid (H{sub 2}bdtc), four 3D structures [Co{sub 2}L{sub 2}(adbc)]{sub n}·nH{sub 2}O (2), [Co{sub 2}L{sub 2}(tpa)]{sub n} (3), [Co{sub 2}L{sub 2}(tdc)]{sub n} (4), [Co{sub 2}L{sub 2}(bdtc)(H{sub 2}O)]{sub n} (5) were obtained, respectively. It can be observed from the architectures of 1–5 that hydrogen bonds and secondary ligands both have great effects on the spatial connective fashions, resulting in the formation of various dimensional compounds. The XRPD, TGA data of title polymers and the magnetic properties for 2 and 5 have also been investigated. - Graphical abstract: The structural differences show that the ancillary ligands have great effects on the spatial connective fashions, resulting in the formation of various dimensional compounds. - Highlights: • Five new Co(II) coordination polymers have been synthesized by solvothermal reactions based on 3,5-bis(pyridin-4-ylmethoxy)benzoic acid (HL). • The long-flexible ligand (HL) is a good candidate to produce interpenetrating architectures. • The secondary dicarboxylic acid ligands play important roles in the spatial connective fashions and the formation of various dimensional compounds. • The magnetism studies show that both 2 and 5 exhibit antiferromagnetic interactions.

  10. Anisotropic Fermi Couplings due to Large Unquenched Orbital Angular Momentum: Q-band 1H, 14N and 11B ENDOR of bistrispyrazolylborate Co(II)

    PubMed Central

    Myers, William K.; Scholes, Charles P.; Tierney, David L.

    2009-01-01

    We report Q-band ENDOR of 1H, 14N, and 11B at the g|| extreme of the EPR spectrum of bistrispyrazolylborate Co(II), Co(Tp)2 and two structural analogs. This trigonally symmetric, high-spin (hs) S = 3/2 Co(II) complex shows large unquenched ground–state orbital angular momentum, which leads to highly anisotropic electronic g-values [g|| = 8.48, g⊥ = 1.02]. The large g-anisotropy is shown to result in large dipolar couplings near g|| and uniquely anisotropic 14N Fermi couplings, which arise from spin transferred to the nitrogen 2s orbital (2.2 %) via anti-bonding interactions with singly occupied metal dx2−y2 and dz2 orbitals. Large, well-resolved 1H and 11B dipolar couplings were also observed. Taken in concert with our previous X-band ENDOR measurements at g⊥ (Myers, et al, Inorg. Chem. 2008, 47, 6701–6710), the present data allow a detailed analysis of the dipolar hyperfine tensors of two of the four symmetry distinct protons in the parent molecule. In the substituted analogs, changes in hyperfine coupling due to altered metal-proton distances give further evidence of an anisotropic Fermi contact interaction. For the pyrazolyl 3H proton, the data indicate a 0.2 MHz anisotropic contact interaction and ~ 4 % transfer of spin away from Co(II). Dipolar coupling also dominates for the axial boron atoms, consistent with their distance from the Co(II) ion, and resolved 11B quadrupolar coupling showed ~ 30 % electronic inequivalence between the B-H and B-C sp3 bonds. This is the first comprehensive ENDOR study of any hs Co(II) species and lays the foundation for future development. PMID:19591466

  11. Polybrominated diphenyl ether (PBDE) accumulation by earthworms (Eisenia fetida) exposed to biosolids-, polyurethane foam microparticle-, and Penta-BDE-amended soils.

    PubMed

    Gaylor, Michael O; Harvey, Ellen; Hale, Robert C

    2013-12-01

    Polybrominated diphenyl ether (PBDE) flame retardants have been used in consumer polymers at up to percent levels. While long viewed as biologically inaccessible therein, PBDEs may become bioaccessible following volatilization or polymer deterioration. PBDEs may then enter soils via polymer fragmentation or following land application of sewage sludge-derived biosolids. Studies of direct PBDE uptake from these materials by soil organisms are scarce. We thus exposed earthworms ( Eisenia fetida ) to artificial soil amended with a Class B anaerobically digested biosolid (ADB), an exceptional quality composted biosolid (CB), PBDE-containing polyurethane foam (PUF) microparticles, and Penta-BDE-spiked artificial soil (SAS). Worms accumulated mg/kg (lipid) ∑Penta-PBDE burdens from all substrates. Biota-soil accumulation factors (BSAFs) for worms exposed to ADB- and CB-amended soils were comparable after 28 d. BSAFs generally decreased with increasing congener KOW and substrate dosage. Biosolids-associated PBDE bioavailability was lower than spiked PBDEs. BSAFs for worms exposed to PUF microparticles ranged from 3.9 to 33.4, with ∑Penta-PBDE tissue burdens reaching 3740 mg/kg lipid. Congener accumulation patterns were similar in worms and polyethylene passive sampling devices immersed in ADB-amended soil coincident with exposed worms. However, passive sampler accumulation factors were lower than BSAFs. Our results demonstrate that PBDEs may accumulate in organisms ingesting soils containing biosolids or waste plastics. Such organisms may then transfer their burdens to predators or translocate them from the site of application/disposal. PMID:24160918

  12. Two field-induced slow magnetic relaxation processes in a mononuclear Co(ii) complex with a distorted octahedral geometry.

    PubMed

    Li, Jing; Han, Yuan; Cao, Fan; Wei, Rong-Min; Zhang, Yi-Quan; Song, You

    2016-05-31

    A distorted octahedral Co(II) complex is reported with homoscorpionate ligands. This complex comprised a field-induced single-molecule magnet, showing two slow relaxation processes under a low dc field (<800 Oe) and only one process under a high dc field (≥800 Oe), which was an unusually discovery for 3d metal ions. On the basis of the ac magnetic data, we show for the first time that one of the slow relaxation processes in the low dc field originates from intermolecular dipolar interactions. Interestingly, the Raman process is predominant in the spin reversal relaxation process. The origin of the behaviours of the complex was elucidated by ab initio calculations. PMID:27180637

  13. Spectroscopic evaluation of Co(II), Ni(II) and Cu(II) complexes derived from thiosemicarbazone and semicarbazone

    NASA Astrophysics Data System (ADS)

    Chandra, Sulekh; Kumar, Anil

    2007-12-01

    Co(II), Ni(II) and Cu(II) complexes were synthesized with thiosemicarbazone (L 1) and semicarbazone (L 2) derived from 2-acetyl furan. These complexes were characterized by elemental analysis, molar conductance, magnetic moment, mass, IR, electronic and EPR spectral studies. The molar conductance measurement of the complexes in DMSO corresponds to non-electrolytic nature. All the complexes are of high-spin type. On the basis of different spectral studies six coordinated geometry may be assigned for all the complexes except Co(L) 2(SO 4) and Cu(L) 2(SO 4) [where L = L 1 and L 2] which are of five coordinated square pyramidal geometry.

  14. Detection of Mitochondrial COII DNA Sequences in Ant Guts as a Method for Assessing Termite Predation by Ants

    PubMed Central

    Fayle, Tom M.; Scholtz, Olivia; Dumbrell, Alex J.; Russell, Stephen; Segar, Simon T.; Eggleton, Paul

    2015-01-01

    Termites and ants contribute more to animal biomass in tropical rain forests than any other single group and perform vital ecosystem functions. Although ants prey on termites, at the community level the linkage between these groups is poorly understood. Thus, assessing the distribution and specificity of ant termitophagy is of considerable interest. We describe an approach for quantifying ant-termite food webs by sequencing termite DNA (cytochrome c oxidase subunit II, COII) from ant guts and apply this to a soil-dwelling ant community from tropical rain forest in Gabon. We extracted DNA from 215 ants from 15 species. Of these, 17.2 % of individuals had termite DNA in their guts, with BLAST analysis confirming the identity of 34.1 % of these termites to family level or better. Although ant species varied in detection of termite DNA, ranging from 63 % (5/7; Camponotus sp. 1) to 0 % (0/7; Ponera sp. 1), there was no evidence (with small sample sizes) for heterogeneity in termite consumption across ant taxa, and no evidence for species-specific ant-termite predation. In all three ant species with identifiable termite DNA in multiple individuals, multiple termite species were represented. Furthermore, the two termite species that were detected on multiple occasions in ant guts were in both cases found in multiple ant species, suggesting that ant-termite food webs are not strongly compartmentalised. However, two ant species were found to consume only Anoplotermes-group termites, indicating possible predatory specialisation at a higher taxonomic level. Using a laboratory feeding test, we were able to detect termite COII sequences in ant guts up to 2 h after feeding, indicating that our method only detects recent feeding events. Our data provide tentative support for the hypothesis that unspecialised termite predation by ants is widespread and highlight the use of molecular approaches for future studies of ant-termite food webs. PMID:25853549

  15. Evolutionary history of the COII/tRNALys intergenic 9 base pair deletion in human mitochondrial DNAs from the Pacific.

    PubMed

    Redd, A J; Takezaki, N; Sherry, S T; McGarvey, S T; Sofro, A S; Stoneking, M

    1995-07-01

    Length changes in human mitochondrial DNA (mtDNA) are potentially useful markers for inferring the evolutionary history of populations. One such length change is a nine base pair (9-bp) deletion that is located in the intergenic region between the COII gene and the Lysine tRNA gene (COII/tRNALys intergenic region). This deletion has been used as a genetic marker to trace descent from peoples of East Asian origin. A geographic cline of the deletion frequency across modern Pacific Islander populations suggests that the deletion may be useful for tracing prehistoric Polynesian origins and affinities. Mitochondrial DNA sequence variation within two variable segments of the control region (CR) permits a number of inferences regarding the evolutionary history of the 9-bp deletion that cannot be determined from frequency data alone. We obtained CR sequences from 74 mtDNAs with the 9-bp deletion from Indonesia, coastal Papua New Guinea (PNG), and American Samoa. Phylogenetic and pairwise distribution analysis of these CR sequences pooled with previously published CR sequences reveals that the deletion arose independently in Africa and Asia and suggests possible multiple origins of the deletion in Asia. A clinal increase of the frequency of the 9-bp deletion across the three Pacific populations is associated with a decrease in CR sequence diversity, consistent with founder events. Furthermore, analysis of pairwise difference distributions indicates an expansion time of proto-Polynesians that began 5,500 yr ago from Southeast Asia. These results are consistent with the express train model of Polynesian origins. PMID:7659016

  16. Ethyl­enedi­ammonium sodium tetra­kis­[bis­(ethyl­enedi­amine-κ2 N,N′)(oxalato-κ2 O 1,O 2)cobalt(III)] [penta­hydrogen di(phosphato­octa­deca­tungstate)] tetra­deca­hydrate

    PubMed Central

    Zhang, Shuzhuo; Wang, Jing; Xu, Yun

    2013-01-01

    The title compound, Na(C2H10N2)[Co(C2O4)(C2H8N2)2]4[H5(P2W18O62)2]·14H2O, prepared under hydro­thermal conditions, consists of two Dawson-type [P2W18O62]6− anions, four isolated [Co(en)2(ox)]+ cations (en = ethyl­enedi­amine and ox = oxalate), one Na+ cation, one [H2en]2+ cation, and a number of ordered (14) and disordered solvent water mol­ecules. The [P2W18O62]6− polyoxidometalate anion has site symmetry 1 and contains two structurally distinct types of W atoms: viz. six W atoms on vertical pseudo-mirror planes grouped in two sets of three, and 12 equatorial W atoms that do not lie in the pseudo-mirror planes grouped in two sets of six. In each [Co(en)2(ox)]+ cation, the CoIII ion is coordinated by four N atoms from two en ligands and two O atoms from the ox ligands, completing a distorted octa­hedral structure. The sodium cation lies on an inversion centre and additionally links the complex cations and anions. In the crystal, the various units are linked by N—H⋯O and O—H⋯O hydrogen bonds, which together with C—H⋯O hydrogen bonds form a three-dimensional structure. The contribution of a region of disordered electron density, possibly highly disordered solvent water mol­ecules, to the scattering was removed with the SQUEEZE option of PLATON [Spek (2009 ▶). Acta Cryst. D65, 148–155]. To equilibrate the charges five H+ ions have been added to the polyoxidometalate. These H+ ions and the disordered solvent contribution were not included in the reported mol­ecular weight and density. PMID:24454036

  17. Anti-cancer, anti-diabetic and other pharmacologic and biological activities of penta-galloyl-glucose

    PubMed Central

    Zhang, Jinhui; Li, Li; Kim, Sung-Hoon; Hagerman, Ann E.; Lü, Junxuan

    2010-01-01

    1, 2, 3, 4, 6-penta-O-galloyl-β-D-glucose (PGG) is a polyphenolic compound highly enriched in a number of medicinal herbals. Several in vitro and a handful of in vivo studies have shown that PGG exhibits multiple biological activities which implicate a great potential for PGG in the therapy and prevention of several major diseases including cancer and diabetes. Chemically and functionally, PGG appears to be distinct from its constituent gallic acid or tea polyphenols. For anti-cancer activity, three published in vivo preclinical cancer model studies with PGG support promising efficacy to selectively inhibit malignancy without host toxicity. Potential mechanisms include anti-angiogenesis, anti-proliferative actions through inhibition of DNA replicative synthesis and S-phase arrest and also G1 arrest, induction of apoptosis, anti-inflammation and anti-oxidation. Putative molecular targets include p53, Stat3, Cox-2, VEGFR1, AP-1, SP-1, Nrf-2 and MMP-9. For anti-diabetic activity, PGG and analogues appear to improve glucose uptake. However, very little is known about the absorption, pharmacokinetics and metabolism of PGG, nor its toxicity profile. The lack of large quantity of highly pure PGG has been a bottleneck limiting in vivo validation of cancer preventive and therapeutic efficacies in clinically relevant models. PMID:19575286

  18. Enhanced Delivery of Plasmid Encoding Interleukin-12 Gene by Diethylene Triamine Penta-Acetic Acid (DTPA)-Conjugated PEI Nanoparticles.

    PubMed

    Dehshahri, Ali; Sadeghpour, Hossein; Keykhaee, Maryam; Khalvati, Bahman; Sheikhsaran, Fatemeh

    2016-05-01

    Recombinant therapeutic proteins have been considered as an efficient category of medications used for the treatment of various diseases. Despite their effectiveness, there are some reports on the systemic adverse effects of recombinant therapeutic proteins limiting their wide clinical applications. Among different cytokines used for cancer immunotherapy, interleukin-12 (IL-12) has shown great ability as a powerful antitumor and antiangiogenic agent. However, significant toxic reactions following the systemic administration of IL-12 have led researchers to seek for alternative approaches such as the delivery and local expression of the IL-12 gene inside the tumor tissues. In order to transfer the plasmid encoding IL-12 gene, the most extensively investigated polycationic polymer, polyethylenimine (PEI), was modified by diethylene triamine penta-acetic acid (DTPA) to modulate the hydrophobic-hydrophilic balance of the polymer as well as its toxicity. DTPA-conjugated PEI derivatives were able to form complexes in the size range around 100-180 nm with great condensation ability and protection of the plasmid against enzymatic degradation. The highest gene transfer ability was achieved by the DTPA-conjugated PEI at the conjugation degree of 0.1 % where the level of IL-12 production increased up to twofold compared with that of the unmodified PEI. Results of the present study demonstrated that modulation of the surface positive charge of PEI along with the improvement of the polymer hydrophobic balance could be considered as a successful strategy to develop safe and powerful nanocarriers. PMID:26801817

  19. Further Studies on the Toxicity of Some Tetra and Trialkyl Lead Compounds

    PubMed Central

    Cremer, Jill E.; Callaway, S.

    1961-01-01

    The toxicity of tetra and trimethyl and propyl lead compounds has been studied after their administration to rats and rabbits. The toxicity to rats of tetramethyl lead has been compared with tetraethyl lead when given by inhalation. Both tetramethyl and tetrapropyl lead were found to be considerably less toxic than trimethyl and tripropyl lead. There was evidence of a slow rate of conversion of the tetra to the trialkyl lead forms in rats in vivo. Although there was a distinct difference between the signs of poisoning seen after giving the methyl or the propyl lead compounds the primary site of action for both groups appeared to be the central nervous system. Some biochemical studies using slices of rat brain cortex showed that trimethyl and tripropyl lead inhibited the oxidation of glucose whereas tetramethyl and tetrapropyl lead were a hundred times less active in this respect. PMID:13882116

  20. Crystal structure of bis-(quinolin-1-ium) tetra-chlorido-ferrate(III) chloride.

    PubMed

    Boudjarda, Azzedine; Bouchouit, Karim; Arroudj, Samiha; Bouacida, Sofiane; Merazig, Hocine

    2015-12-01

    The asymmetric unit of the title hybrid compound, (C9H8N)[FeCl4]Cl, comprises a tetra-hedral tetra-chlorido-ferrate(III) anion, [FeCl4](-), a Cl(-) anion and two quinolinium cations. There are N-H⋯Cl hydrogen-bonding inter-actions between the protonated N atoms of the quinolinium cations and the chloride anion, which together with π-π stacking between adjacent quinolinium rings [centroid-to-centroid distances between C6 and C5N rings in adjacent stacked quinolinium cations of 3.609 (2) and 3.802 (2) Å] serve to hold the structure together. PMID:26870461

  1. Concentration oscillations of zinc tetra-4-tert-butylphthalocyanine in ethanol in pulsed radiolysis

    SciTech Connect

    Chelnakov, N.P.; Tupikov, V.I.; Danilov, K.E

    1988-07-01

    Deaerated solutions of monomeric zinc tetra-4-tert-butylphthalocyanine (ZnPC) in ethanol were studied by spectrophotometry directly during /gamma/ and pulsed microsecond radiolysis. It was shown that the ZnPC monoanion is formed on decomposition of the extracomplex of ZnPC with the hydroxyethyl radical and subsequent conversion of the monoanion into the starting ZnPC is accompanied by concentration oscillations. A model system of reactions is proposed which describes the experimental characteristics.

  2. Bis(1,2,3,4-tetra-hydro-quinoline-1-thio-carbon-yl) disulfide.

    PubMed

    Srinivasan, N; Thirumaran, S; Selvanayagam, S

    2012-12-01

    In the title compound, C20H20N2S4, the N-containing six-membered rings of the two tetra-hydro-quinoline moieties adopt half-chair conformations. Intra-molecular C-H⋯S hydrogen bonding stabilizes the mol-ecular structure. In the crystal, mol-ecules associate via weak C-H⋯π inter-actions. PMID:23476260

  3. N-(5-Amino-1H-tetra­zol-1-yl)formamide

    PubMed Central

    He, Chun-Lin; Du, Zhi-Ming; Tang, Zheng-Qiang; Cong, Xiao-Min; Meng, Ling-Qiao

    2009-01-01

    In the title compound, C2H4N6O, the planar [maximum deviation = 0.006 (2) Å] amino­tetra­zole group makes a dihedral angle of 83.65 (8)° with the formamide unit. In the crystal structure, inter­molecular N—H⋯N, N—H⋯O and C—H⋯N hydrogen bonds are responsible for the formation of a three-dimensional network. PMID:21578483

  4. Bis[4-(dimethyl-amino)pyridinium] tetra-bromidodiphenyl-stannate(IV).

    PubMed

    Yap, Quai Ling; Lo, Kong Mun; Ng, Seik Weng

    2008-01-01

    The Sn(IV) atom of the stannate anion in the title salt, (C(7)H(11)N(2))(2)[SnBr(4)(C(6)H(5))(2)], lies on a center of inversion in a tetra-gonally compressed octa-hedron. The two independent Br atoms in the anion are hydrogen-bond acceptors for the same cation. PMID:21202230

  5. Bis[4-(dimethyl-amino)pyridinium] tetra-bromidobis(4-methyl-phen-yl)stannate(IV).

    PubMed

    Lee, See Mun; Lo, Kong Mun; Mohd Ali, Hapipah; Robinson, Ward T

    2009-01-01

    In the title compound, (C(7)H(11)N(2))(2)[SnBr(4)(C(7)H(7))(2)], the tetra-bromidobis(4-methyl-phen-yl)stannate(IV) anion possesses a centre of inversion located at the Sn(IV) atom. In the crystal structure, two inversion-related cations are linked to the anion via weak N-H⋯Br hydrogen bonds. PMID:21577403

  6. Di-μ-hydroxido-bis-[hemiaqua-(N,N,N',N'-tetra-methyl-ethane-1,2-diamine)-copper(II)] bis-(tetra-fluoridoborate).

    PubMed

    Haníková, Jaroslava; Kuchár, Juraj; Trávníček, Zdeněk; Cernák, Juraj

    2012-06-01

    The title compound, [Cu(2)(OH)(2)(C(6)H(16)N(2))(2)(H(2)O)](BF(4))(2), consists of dinuclear centrosymmetric [Cu(2)(OH)(2)(tmen)(2)(H(2)O)](2+) complex cations (tmen = N,N,N',N'-tetra-methyl-ethane-1,2-diamine) and tetra-fluoridoborate anions. In the cation, the Cu(II) atom shows a slightly distorted square-pyramidal coordination geometry provided by a pair of μ-OH(-) anions and by the N atoms of a chelate tmen ligand in the basal plane. The apical position is statistically occupied by the O atom of a half-occupancy water mol-ecule. The F atoms of the anion are disordered over three sets of sites with occupancies of 0.598 (9):0.269 (6):0.134 (8). The crystal packing is governed by ionic forces as well as by O-H⋯F hydrogen bonds. PMID:22719335

  7. Enhanced antitumor activity of the photosensitizer meso-Tetra(N-methyl-4-pyridyl) porphine tetra tosylate through encapsulation in antibody-targeted chitosan/alginate nanoparticles.

    PubMed

    Abdelghany, Sharif M; Schmid, Daniela; Deacon, Jill; Jaworski, Jakub; Fay, Francois; McLaughlin, Kirsty M; Gormley, Julie A; Burrows, James F; Longley, Daniel B; Donnelly, Ryan F; Scott, Christopher J

    2013-02-11

    meso-Tetra(N-methyl-4-pyridyl) porphine tetra tosylate (TMP) is a photosensitizer that can be used in photodynamic therapy (PDT) to induce cell death through generation of reactive oxygen species in targeted tumor cells. However, TMP is highly hydrophilic, and therefore, its ability to accumulate intracellularly is limited. In this study, a strategy to improve TMP uptake into cells has been investigated by encapsulating the compound in a hydrogel-based chitosan/alginate nanoparticle formulation. Nanoparticles of 560 nm in diameter entrapping 9.1 μg of TMP per mg of formulation were produced and examined in cell-based assays. These particles were endocytosed into human colorectal carcinoma HCT116 cells and elicited a more potent photocytotoxic effect than free drug. Antibodies targeting death receptor 5 (DR5), a cell surface apoptosis-inducing receptor up-regulated in various types of cancer and found on HCT116 cells, were then conjugated onto the particles. The conjugated antibodies further enhanced uptake and cytotoxic potency of the nanoparticle. Taken together, these results show that antibody-conjugated chitosan/alginate nanoparticles significantly enhanced the therapeutic effectiveness of entrapped TMP. This novel approach provides a strategy for providing targeted site-specific delivery of TMP and other photosensitizer drugs to treat colorectal tumors using PDT. PMID:23327610

  8. Guidelines for the tetra-primer ARMS-PCR technique development.

    PubMed

    Medrano, Ruan Felipe Vieira; de Oliveira, Camila Andréa

    2014-07-01

    The tetra-primer amplification refractory mutation system-polymerase chain (ARMS-PCR) reaction is a simple and economical method to genotype single-nucleotide polymorphisms (SNPs). It uses four primers in a single PCR and is followed just by gel electrophoresis. However, the optimization step can be very hardworking and time-consuming. Hence, we propose to demonstrate and discuss critical steps for its development, in a way to provide useful information. Two SNPs that provided different amplification conditions were selected. DNA extraction methods, annealing temperatures, PCR cycles protocols, reagents, and primers concentration were also analyzed. The use of tetra-primer ARMS-PCR could be impaired for SNPs in DNA regions rich in cytosine and guanine and for samples with DNA not purified. The melting temperature was considered the factor of greater interference. However, small changes in the reagents concentration significantly affect the PCR, especially MgCl2. Balancing the inner primers band is also a key step. So, in order to balance the inner primers band, intensity is important to observe which one has the weakest band and promote its band by increasing its concentration. The use of tetra-primer ARMS-PCR attends the expectations of modern genomic research and allows the study of SNPs in a fast, reliable, and low-cost way. PMID:24519268

  9. Crystal structure of the thermochromic bis-(di-ethyl-ammonium) tetra-chlorido-cuprate(II) complex.

    PubMed

    Aldrich, Emily P; Bussey, Katherine A; Connell, Jennifer R; Reinhart, Erin F; Oshin, Kayode D; Mercado, Brandon Q; Oliver, Allen G

    2016-01-01

    In the structure of the title complex salt, (Et2NH2)2[CuCl4], the asymmetric unit consists of four unique di-ethyl-ammonium cations and three unique tetra-chlorido-cuprate anions. Two of the three anions are located with their copper atoms on independent crystallographic twofold axes, while the remaining tetra-chlorido-cuprate is located at a general position of the ortho-rhom-bic space group P21212. Two of the three Cu atoms adopt a distorted square-planar/disphenoidal geometry and the third Cu atom has a regular square-planar coordination environment. The di-ethyl-ammonium cations form an extensive hydrogen-bonded network through N-H⋯Cl inter-actions with the tetra-chlorido-cuprate anions, resulting in a two-dimensional sheet-like hydrogen-bonded network parallel to the ab direction. The complex was observed to undergo a color shift from deep green at room temperature to pale yellow at temperatures above 328 K. PMID:26870581

  10. Semiconducting behavior of substituted tetra-azaporphyrin thin films in photoelectrochemical cells

    SciTech Connect

    Yanagi, H.; Tsukatani, K.; Yamaguchi, H.; Ashida, M. . Faculty of Engineering); Schlettwein, D.; Woehrle, D. . Organische und Makromolekulare Chemie)

    1993-07-01

    Phthalocyanines are well-known organic semiconductors and have attracted interest in application to electrophotography, chemical sensors, and solar energy conversion. Photoelectrochemical properties of zinc(II) and copper(II) complexes of (1) phthalocyanine, (2) tetrapyrido [2,3-b;2[prime],3[prime]-g;2[double prime],3[double prime]-1;2[prime][double prime],3[prime][double prime]-q]-5,10,15,20-tetra-azaporphyrin, and (3) tetrapyrazino[b;g;1;q]-5,10,15,20-tetra-azaporphyrin, were investigated in thin-film electrodes prepared by vacuum deposition (VD), drop-casting (DC) and in situ synthesis (IS). The opposing behavior, photoreduction at electrodes of 1 and photo-oxidation at electrodes of 2 and 3, are discussed in terms of a band-energy shift of tetra-azaporphyrin macrocycles caused by substitution with heterocyclic pyrido and pyrazino groups. The photoelectrochemical efficiency of the electrodes is strongly affected by the film morphology which is dependent on the preparation methods, and increased in order of DC

  11. Enhanced NH3-Sensitivity of Reduced Graphene Oxide Modified by Tetra-α-Iso-Pentyloxymetallophthalocyanine Derivatives.

    PubMed

    Li, Xiaocheng; Wang, Bin; Wang, Xiaolin; Zhou, Xiaoqing; Chen, Zhimin; He, Chunying; Yu, Zheying; Wu, Yiqun

    2015-12-01

    Three kinds of novel hybrid materials were prepared by noncovalent functionalized reduced graphene oxide (rGO) with tetra-α-iso-pentyloxyphthalocyanine copper (CuPc), tetra-α-iso-pentyloxyphthalocyanine nickel (NiPc) and tetra-α-iso-pentyloxyphthalocyanine lead (PbPc) and characterized by Fourier transform infrared spectroscopy (FT-IR), ultraviolet-visible spectroscopy (UV-vis), Raman spectra, X-ray photoelectron spectroscopy (XPS), transmission electron microscope (TEM), and atomic force microscope (AFM). The as-synthesized MPc/rGO hybrids show excellent NH3 gas-sensing performance with high response value and fast recovery time compared with bare rGO. The enhancement of the sensing response is mainly attributed to the synergism of gas adsorption of MPc to NH3 gas and conducting network of rGO with greater electron transfer efficiency. Strategies for combining the good properties of rGO and MPc derivatives will open new opportunities for preparing and designing highly efficient rGO chemiresistive gas-sensing hybrid materials for potential applications in gas sensor field. PMID:26403926

  12. Enhanced NH3-Sensitivity of Reduced Graphene Oxide Modified by Tetra-α-Iso-Pentyloxymetallophthalocyanine Derivatives

    NASA Astrophysics Data System (ADS)

    Li, Xiaocheng; Wang, Bin; Wang, Xiaolin; Zhou, Xiaoqing; Chen, Zhimin; He, Chunying; Yu, Zheying; Wu, Yiqun

    2015-09-01

    Three kinds of novel hybrid materials were prepared by noncovalent functionalized reduced graphene oxide (rGO) with tetra-α-iso-pentyloxyphthalocyanine copper (CuPc), tetra-α-iso-pentyloxyphthalocyanine nickel (NiPc) and tetra-α-iso-pentyloxyphthalocyanine lead (PbPc) and characterized by Fourier transform infrared spectroscopy (FT-IR), ultraviolet-visible spectroscopy (UV-vis), Raman spectra, X-ray photoelectron spectroscopy (XPS), transmission electron microscope (TEM), and atomic force microscope (AFM). The as-synthesized MPc/rGO hybrids show excellent NH3 gas-sensing performance with high response value and fast recovery time compared with bare rGO. The enhancement of the sensing response is mainly attributed to the synergism of gas adsorption of MPc to NH3 gas and conducting network of rGO with greater electron transfer efficiency. Strategies for combining the good properties of rGO and MPc derivatives will open new opportunities for preparing and designing highly efficient rGO chemiresistive gas-sensing hybrid materials for potential applications in gas sensor field.

  13. Assessment of specific energy absorption rate (SAR) in the head from a TETRA handset.

    PubMed

    Dimbylow, Peter; Khalid, Mohammed; Mann, Simon

    2003-12-01

    Finite-difference time-domain (FDTD) calculations of the specific energy absorption rate (SAR) from a representative TETRA handset have been performed in an anatomically realistic model of the head. TETRA (Terrestrial Trunked Radio) is a modern digital private mobile radio system designed to meet the requirements of professional users, such as the police and fire brigade. The current frequency allocations in the UK are 380-385 MHz and 390-395 MHz for the public sector network. A comprehensive set of calculations of SAR in the head was performed for positions of the handset in front of the face and at both sides of the head. The representative TETRA handset considered. operating at 1 W in normal use, will show compliance with both the ICNIRP occupational and public exposure restrictions. The handset with a monopole antenna operating at 3 W in normal use will show compliance with both the ICNIRP occupational and public exposure restrictions. The handset with a helical antenna operating at 3 W in normal use will show compliance with the ICNIRP occupational exposure restriction but will be over the public exposure restriction by up to approximately 50% if kept in the position of maximum SAR for 6 min continuously. PMID:14703166

  14. Goblet cell types in intestine of tiger barb and black tetra (Cyprinidae, Characidae: Teleostei).

    PubMed

    Leknes, I L

    2014-10-01

    Histochemical properties of goblet cells in intestine of a stomach-less teleost, tiger barb (Puntius tetrazona), and a stomach-containing teleost, black tetra (Gymnocorymbus ternetzi), are described and compared. The intestine goblet cells were mostly wide in both species, but in tiger barb, some of them were markedly thinner. In black tetra, all the intestine goblet cells displayed magenta colour after PAS, whereas in the tiger barb, only the thinner goblet cells displayed such affinity. The latter cell type was coloured strongly magenta when the tissue was treated with alcian blue (pH 2.5) followed by PAS, whereas the wide goblet cells in tiger barb and all goblet cells in black tetra displayed mainly a blue colour after such treatment. Further, the goblet cells in both species were coloured cleanly blue after high iron diamine followed by alcian blue (pH 2.5). The intestine goblet cells in both species displayed a moderate affinity to WGA and concanavalin A lectins and no affinity to DBA. Most of the goblet cells displayed no affinity to PNA, but some of them in the tiger barb displayed a moderate or strong affinity to this lectin. The affinity to WGA was somewhat strengthened after pre-treatment with neuraminidase. These results suggest that tiger barb contains two types or variants of intestinal goblet cells: high numbers of wide cells filled by acidic, non-sulphated mucin and some thinner cells filled by neutral mucin. The intestine goblet cells in black tetra were filled by variable amounts of neutral and acidic mucin, but the total number of such cells is much less than in tiger barb. The present lectin and neuraminidase results suggest that the intestinal mucins in both species contain significant amounts of N-acetylglucosamine, sialic acid and glucose/mannose, but seem to lack N-acetylgalactosamine. However, some of these cells in tiger barb contain moderate to large amounts of galactose. Together, these results suggest significant species

  15. Spectral, IR and magnetic studies of Mn(II), Co(II), Ni(II) and Cu(II) complexes with pyrrole-2-carboxyaldehyde thiosemicarbazone (L)

    NASA Astrophysics Data System (ADS)

    Chandra, Sulekh; Kumar, Anil

    2007-11-01

    Mn(II), Co(II), Ni(II) and Cu(II) complexes are synthesized with thiosemicarbazone (L) derived from pyrrole-2-carboxyaldehyde. These complexes are characterized by elemental analysis, molar conductance, magnetic susceptibility measurement, mass, IR, electronic and EPR spectral studies. The molar conductance measurement of the complexes in DMSO indicates that the complexes are non-electrolyte except Co(L) 2(NO 3) 2 and Ni(L) 2(NO 3) 2 complexes which are 1:2 electrolyte. All the complexes are of high-spin type. On the basis of spectral studies an octahedral geometry may be assigned for Mn(II), Co(II) and Ni(II) complexes except Co(L) 2(NO 3) 2 and Ni(L) 2(NO 3) 2 which are of tetrahedral geometry. A tetragonal geometry may be suggested for Cu(II) complexes.

  16. Spectral studies on Co(II), Ni(II) and Cu(II) complexes with thiosemicarbazone (L 1) and semicarbazone (L 2) derived from 2-acetyl furan

    NASA Astrophysics Data System (ADS)

    Chandra, Sulekh; Kumar, Anil

    2007-04-01

    Co(II), Ni(II) and Cu(II) complexes are synthesized with thiosemicarbazone (L 1) and semicarbazone (L 2) derived from 2-acetyl furan. These complexes are characterized by elemental analysis, molar conductance, magnetic susceptibility measurements, mass, IR, electronic and EPR spectral studies. The molar conductance measurements of the complexes in DMSO correspond to non-electrolytic nature except Ni(L) 2(NO 3) 2, which is 1:2 electrolyte. All the complexes are of high-spin type. On the basis of spectral studies an octahedral geometry may be assigned for Co(II) and Ni(II) complexes except nitrato complexes of Ni(II) which is of tetrahedral geometry, whereas tetragonal geometry for Cu(II) complexes.

  17. Synthesis, Characterization and Biological Evaluation of Co(II), Cu(II), Ni(II) and Zn(II) Complexes With Cephradine

    PubMed Central

    Jaffery, Maimoon F.

    2000-01-01

    Some Co(II), Cu(II), Ni(II) and Zn(II) complexes of antibacterial drug cephradine have been prepared and characterized by their physical, spectral and analytical data. Cephradine acts as bidentate and the complexes have compositions, [M(L)2X2] where [M = Co(II), Ni(II) and Zn(II), L = cephradine and X = Cl2] showing octahedral geometry, and [M(L)2] where [M = Cu(II), L = cephradine] showing square planar geometry. In order to evaluate the effect of metal ions upon chelation, eephradine and its complexes have been screened for their antibacterial activity against bacterial strains, Escherichia coli, Staphylococcus aureus, and Pseudomonas aeruginosa. PMID:18475955

  18. Complex Formation in a Liquid-Liquid Extraction System Containing Co(II), 4-(2-Thiazolylazo)resorcinol and Monotetrazolium Salt.

    PubMed

    Divarova, Vidka; Stojnova, Kirila; Racheva, Petya; Lekova, Vanya

    2016-01-01

    The ion-associated complex formed between anionic chelate of Co(II)-4-(2-Thiazolylazo)resorcinol (TAR) with the monotetrazolium cation of 2-(4-Iodophenyl)-3-(4-nitrophenyl)-5-phenyl-2H-tetrazolium chloride (INT) in the liquid-liquid extraction system Co(II)-TAR-INT-H(2)O-CHCl(3) was studied by the spectrophotometric method. The optimum extraction conditions of Co(II) were found. The extraction equilibria were studied. The equilibrium constants, the recovery factor and some analytical characteristics were calculated. The validity of Beer's law was checked. The molar ratio of the components in the ternary ion-associated complex Co(II)-TAR-INT was determined. The general formula of the complex was suggested. The effect of various foreign ions and reagents on the process of complex formation in the liquid-liquid extraction system was studied. PMID:26970793

  19. Spectroscopic investigation of the structure of complex compounds of Cu(II), Co(II), and Ni(II) with. cap alpha. - and. beta. -diketone

    SciTech Connect

    Krymova, N.M.; Ivanov, V.E.; Ostapkevich, N.A.

    1986-11-10

    In the reactions of Cu(II), Co(II), and Ni(II) chlorides with 2,3-butanedione and 2,4-pentanedione isonicotinoylhydrazones in neutral and weakly acid media complex compounds of the addition-product type are formed, but in an alkaline medium inner-complex compounds are formed. By methods of electronic and ESR spectroscopy it was shown that the Cu(II) complex compounds have a planar-square structure, the Ni(II) complexes are octrahedral, but the Co(II) complexes have a tetrahedral or distorted tetrahedral structure. In the spectrochemical series 2,3-butanedione and 2,4-pentanedione isonicotinoylhydrazones occupy positions between water and ammonia.

  20. Biotransformation Capacity of Carboxylesterase in Skin and Keratinocytes for the Penta-Ethyl Ester Prodrug of DTPA.

    PubMed

    Fu, Jing; Sadgrove, Matthew; Marson, Lesley; Jay, Michael

    2016-08-01

    The penta-ethyl ester prodrug of the chelating agent diethylene triamine pentaacetic acid (DTPA), referred to as C2E5, effectively accelerated clearance of americium after transdermal delivery. Carboxylesterases (CESs) play important roles in facilitating C2E5 hydrolysis. However, whether CESs in human skin hydrolyze C2E5 remains unknown. We evaluated the gene and protein expression of CESs in distinctive human epidermal cell lines: HEKa, HEKn, HaCaT, and A431. The substrates p-nitrophenyl acetate (pNPA) and 4-nitrophenyl valerate (4-NPV) were used to access esterase and CES activity. C2E5 hydrolysis was measured by radiometric high-performance liquid chromatography after incubation of [(14)C]C2E5 with supernatant fractions after centrifugation at 9000g (S9) prepared from skin cell lines. CES-specific inhibitors were used to access metabolism in human skin S9 fractions with analysis by liquid chromatography-tandem mass spectrometry. We identified the human carboxylesterase 1 and 2 (CES1 and CES2) bands in a Western blot. The gene expression of these enzymes was supported by a real-time polymerase chain reaction (qPCR). pNPA and 4-NPV assays demonstrated esterase and CES activity in all the cell lines that were comparable to human skin S9 fractions. The prodrug C2E5 was hydrolyzed by skin S9 fractions, resulting in a primary metabolite, C2E4. In human skin S9 fractions, inhibition of C2E5 hydrolysis was greatest with a pan-CES inhibitor (benzil). CES1 inhibition (troglitazone) was greater than CES2 (loperamide), suggesting a primary metabolic role for CES1. These results indicate that human keratinocyte cell lines are useful for the evaluation of human cutaneous metabolism and absorption of ester-based prodrugs. However, keratinocytes from skin provide a small contribution to the overall metabolism of C2E5. PMID:27130352

  1. Co(II), Mn(II), and Cr(III) iminodiacetate complexes heterogenized on silica gel in the liquid-phase oxidation of cyclohexene

    SciTech Connect

    Berentsveig, V.V.; Barinova, T.V.; Lisichkin, G.V.; Nga, C.B.

    1985-06-01

    A study was carried out on the catalytic properties of Co(II), Mn(II), and Cr(III) iminodiacetate complexes heterogenized on silica gel. The liquid-phase oxidation of cyclohexene in the presence of these catalysts proceeds mainly by a heterogeneous-homogeneous radical chain methanism. Variation in the selectivity of this liquid-phase reaction is possible by changing the nature of the transition metal ion.

  2. Removal of Co(II), Cu(II) and Pb(II) ions by polymer based 2-hydroxyethyl methacrylate: thermodynamics and desorption studies

    PubMed Central

    2012-01-01

    Removal thermodynamics and desorption studies of some heavy metal ions such as Co(II), Cu(II) and Pb(II) by polymeric surfaces such as poly 2-hydroxyethyl methacrylate (PHEMA) and copolymer 2-hydroxyethyl methacrylate with monomer methyl methacrylate P(MMA-HEMA) as adsorbent surfaces from aqueous single solution were investigated with respect to the changes in pH of solution, adsorbent composition, contact time and temperature in the individual aqueous solution. The linear correlation coefficients of Langmuir and Freundlich isotherms were obtained and the results revealed that the Langmuir isotherm fitted the experiment results better than Freundlich isotherm. Using the Langmuir model equation, the monolayer removal capacity of PHEMA surface was found to be 0.7388, 0.8396 and 3.0367 mg/g for Co(II), Cu(ΙΙ) and Pb(II) ions and removal capacity of P(MMA-HEMA) was found to be 28.8442, 31.1526 and 31.4465 mg/g for Co(II), Cu(ΙΙ) and Pb(II) ions, respectively. Changes in the standard Gibbs free energy (ΔG0), standard enthalpy (ΔH0) and standard entropy (ΔS0) showed that the removals of mentioned ions onto PHEMA and P(MMA-HEMA) are spontaneous and exothermic at 293–323 K. The maximum desorption efficiency was 75.26% for Pb(II) using 0.100 M HNO3, 70.10% for Cu(II) using 0.100 M HCl, 59.20% for 0.100 M HCl 63.67% Co(II). PMID:23369255

  3. Positional isomeric tunable two Co(II) 6-connected 3-D frameworks with pentanuclear to binuclear units: structures, ion-exchange and magnetic properties.

    PubMed

    Han, Min-Le; Duan, Ya-Ping; Li, Dong-Sheng; Wang, Hai-Bin; Zhao, Jun; Wang, Yao-Yu

    2014-11-01

    Two new Co(II) based metal-organic frameworks, namely {[Co5(μ3-OH)2(m-pda)3(bix)4]·2ClO4}n (1) and {[Co2(p-pda)2(bix)2(H2O)]·H2O}n (2), were prepared by hydrothermal reactions of Co(II) salt with two isomeric dicarboxyl tectons 1,3-phenylenediacetic acid (m-pda) and 1,4-phenylenediacetic acid (p-pda), along with 1,3-bis(imidazol-L-ylmethyl)benzene (bix). Both complexes 1 and 2 have been characterized by elemental analysis, IR spectroscopy, single-crystal X-ray diffraction, powder X-ray diffraction (PXRD), and thermogravimetric analysis (TGA). 1 shows a 6-connected 3-D pcu cationic framework with pentanuclear [Co5(μ3-OH)2(COO)6(bix)2](2+) units, while 2 exhibits a 6-connected 3-D msw net based on [Co2(μ2-H2O)(COO)2](2+) clusters. The results indicate that the different dispositions of the carboxylic groups of dicarboxylates have an important effect on the overall coordination frameworks. Perchlorate anions in 1 can be partly exchanged by thiocyanate and azide anions, however they are unavailable to nitrate anions. Magnetic susceptibility measurements indicate that both 1 and 2 show weak antiferromagnetic interactions between the adjacent Co(II) ions. PMID:25190003

  4. Characterization and biological studies on Co(II), Ni(II) and Cu(II) complexes of carbohydrazones ending by pyridyl ring

    NASA Astrophysics Data System (ADS)

    Abu El-Reash, G. M.; El-Gammal, O. A.; Ghazy, S. E.; Radwan, A. H.

    2013-03-01

    The chelating behavior of ligands based on carbohydrazone core modified with pyridine end towards Co(II), Ni(II) and Cu(II) ions have been examined. The ligands derived from the condensation of carbohydrazide with 2-acetylpyridine (H2APC) and 4-acetylpyridine (H2APEC). The 1H NMR, IR data and the binding energy calculations of H2APC revealed the presence of two stereoisomers syn and anti in the solid state and in the solution. The 1H NMR, IR data and the binding energy calculations confirmed the presence of H2APEC in one keto form only in the solid state and in the solution. The spectroscopic data confirmed that H2APC behaves as a monobasic pentadentate in Co(II) and Cu(II) complexes and as mononegative tetradentate in Ni(II) complex. On the other hand, H2APEC acts as a mononegative tridentate in Co(II) complex, neutral tridentate in Ni(II) complex and neutral bidentate in Cu(II) complex. The electronic spectra and the magnetic measurements of complexes as well as the ESR of the copper complexes suggested the octahedral geometry. The bond length and bond angles were evaluated by DFT method using material studio program. The thermal behavior and the kinetic parameters of degradation were determined using Coats-Redfern and Horowitz-Metzger methods. The antioxidant (DDPH and ABTS methods), anti-hemolytic and in vitro Ehrlich ascites of the compounds have been screened.

  5. Co(II) and Cd(II) Complexes Derived from Heterocyclic Schiff-Bases: Synthesis, Structural Characterisation, and Biological Activity

    PubMed Central

    Ahmed, Riyadh M.; Yousif, Enaam I.; Al-Jeboori, Mohamad J.

    2013-01-01

    New monomeric cobalt and cadmium complexes with Schiff-bases, namely, N′-[(E)-(3-hydroxy-4-methoxyphenyl)methylidene]furan-2-carbohydrazide (L1) and N′-[(E)-(3-hydroxy-4-methoxyphenyl)methylidene]thiophene-2-carbohydrazide (L2) are reported. Schiff-base ligands L1 and L2 were derived from condensation of 3-hydroxy-4-methoxybenzaldehyde (iso-vanillin) with furan-2-carboxylic acid hydrazide and thiophene-2-carboxylic acid hydrazide, respectively. Complexes of the general formula [M(L)2]Cl2 (where M = Co(II) or Cd(II), L = L1 or L2) have been obtained from the reaction of the corresponding metal chloride with the ligands. The ligands and their metal complexes were characterised by spectroscopic methods (FTIR, UV-Vis, 1H, and 13C NMR spectra), elemental analysis, metal content, magnetic measurement, and conductance. These studies revealed the formation of four-coordinate complexes in which the geometry about metal ion is tetrahedral. Biological activity of the ligands and their metal complexes against gram positive bacterial strain Bacillus (G+) and gram negative bacteria Pseudomonas (G−) revealed that the metal complexes become less resistive to the microbial activities as compared to the free ligands. PMID:24027449

  6. Synthesis and studies on Cu(II), Co(II), Ni(II) complexes of Knoevenagel β-diketone ligands

    NASA Astrophysics Data System (ADS)

    Sumathi, S.; Tharmaraj, P.; Sheela, C. D.; Anitha, C.

    2012-11-01

    Transition metal complexes of various acetylacetone based ligands of the type ML [where M = Cu(II), Ni(II), Co(II); L = 3-(aryl)-pentane-2,4-dione] have been synthesized. The structural features have been derived from their elemental analysis, magnetic susceptibility, molar conductance, IR, UV-Vis, 1H NMR, Mass and ESR spectral studies. Conductivity measurements reveal that all the complexes are non-electrolytic in nature. Spectroscopic and other analytical data of the complexes suggest octahedral geometry for other metal(II) complexes. The redox behavior of the copper(II) complexes have been studied by cyclic voltammetry. The free ligands and their metal complexes have been screened for their in vitro biological activities against the bacteria Pseudomonas aeruginosa, Escherichia coli and Staphylococcus aureus as well as the fungus Candida albicans by well diffusion method. The zone of inhibition value indicates that the most of the metal(II) complexes are found to possess increased activities compared to those of the free ligands. All synthesized compounds may serve as potential photoactive materials as indicated from their characteristic fluorescence properties. The second harmonic generation (SHG) efficiency of the ligands (L1-L3) was found to be considerable effect than that of urea and KDP (potassium dihydrogen phosphate).

  7. The precursor form of Hansenula polymorpha copper amine oxidase 1 in complex with CuI and CoII.

    PubMed

    Klema, Valerie J; Johnson, Bryan J; Klinman, Judith P; Wilmot, Carrie M

    2012-05-01

    Copper amine oxidases (CAOs) catalyze the oxidative deamination of primary amines to their corresponding aldehydes, with the concomitant reduction of O(2) to H(2)O(2). Catalysis requires two cofactors: a mononuclear copper center and the cofactor 2,4,5-trihydroxyphenylalanine quinone (TPQ). TPQ is synthesized through the post-translational modification of an endogenous tyrosine residue and requires only oxygen and copper to proceed. TPQ biogenesis in CAO can be supported by alternate metals, albeit at decreased rates. A variety of factors are thought to contribute to the degree to which a metal can support TPQ biogenesis, including Lewis acidity, redox potential and electrostatic stabilization capability. The crystal structure has been solved of one of two characterized CAOs from the yeast Hansenula polymorpha (HPAO-1) in its metal-free (apo) form, which contains an unmodified precursor tyrosine residue instead of fully processed TPQ (HPAO-1 was denoted HPAO in the literature prior to 2010). Structures of apoHPAO-1 in complex with Cu(I) and Co(II) have also been solved, providing structural insight into metal binding prior to biogenesis. PMID:22691777

  8. Sensitive spectrophotometric determination of Co(II) using dispersive liquid-liquid micro-extraction method in soil samples.

    PubMed

    Hasanpour, Foroozan; Hadadzadeh, Hassan; Taei, Masoumeh; Nekouei, Mohsen; Mozafari, Elmira

    2016-05-01

    Analytical performance of conventional spectrophotometer was developed by coupling of effective dispersive liquid-liquid micro-extraction method with spectrophotometric determination for ultra-trace determination of cobalt. The method was based on the formation of Co(II)-alpha-benzoin oxime complex and its extraction using a dispersive liquid-liquid micro-extraction technique. During the present work, several important variables such as pH, ligand concentration, amount and type of dispersive, and extracting solvent were optimized. It was found that the crucial factor for the Co(II)-alpha benzoin oxime complex formation is the pH of the alkaline alcoholic medium. Under the optimized condition, the calibration graph was linear in the ranges of 1.0-110 μg L(-1) with the detection limit (S/N = 3) of 0.5 μg L(-1). The preconcentration operation of 25 mL of sample gave enhancement factor of 75. The proposed method was applied for determination of Co(II) in soil samples. PMID:27040110

  9. The precursor form of Hansenula polymorpha copper amine oxidase 1 in complex with CuI and CoII

    PubMed Central

    Klema, Valerie J.; Johnson, Bryan J.; Klinman, Judith P.; Wilmot, Carrie M.

    2012-01-01

    Copper amine oxidases (CAOs) catalyze the oxidative deamination of primary amines to their corresponding aldehydes, with the concomitant reduction of O2 to H2O2. Catalysis requires two cofactors: a mononuclear copper center and the cofactor 2,4,5-trihydroxyphenylalanine quinone (TPQ). TPQ is synthesized through the post-translational modification of an endogenous tyrosine residue and requires only oxygen and copper to proceed. TPQ biogenesis in CAO can be supported by alternate metals, albeit at decreased rates. A variety of factors are thought to contribute to the degree to which a metal can support TPQ biogenesis, including Lewis acidity, redox potential and electrostatic stabilization capability. The crystal structure has been solved of one of two characterized CAOs from the yeast Hansenula polymorpha (HPAO-1) in its metal-free (apo) form, which contains an unmodified precursor tyrosine residue instead of fully processed TPQ (HPAO-1 was denoted HPAO in the literature prior to 2010). Structures of apoHPAO-1 in complex with CuI and CoII have also been solved, providing structural insight into metal binding prior to biogenesis. PMID:22691777

  10. Synthesis and characterization of monomolecular DNA G-quadruplexes formed by tetra-end-linked oligonucleotides.

    PubMed

    Oliviero, Giorgia; Amato, Jussara; Borbone, Nicola; Galeone, Aldo; Petraccone, Luigi; Varra, Michela; Piccialli, Gennaro; Mayol, Luciano

    2006-01-01

    Guanine-rich DNA sequences are widely dispersed in the eukaryotic genome and are abundant in regions with relevant biological significance. They can form quadruplex structures stabilized by guanine quartets. These structures differ for number and strand polarity, loop composition, and conformation. We report here the syntheses and the structural studies of a set of interconnected d(TG(4)T) fragments which are tethered, with different orientations, to a tetra-end-linker in an attempt to force the formation of specific four-stranded DNA quadruplex structures. Two synthetic strategies have been used to obtain oligodeoxyribonucleotide (ODN) strands linked with their 3'- or 5'-ends to each of the four arms of the linker. The first approach allowed the synthesis of tetra-end-linked ODN (TEL-ODN) containing the four ODN strands with a parallel orientation, while the latter synthetic pathway led to the synthesis of TEL-ODNs each containing antiparallel ODN pairs. The influence of the linker at 3'- or 5'-ODN, on the quadruplex typology and stability, in the presence of sodium or potassium ions, has been investigated by circular dichroism (CD), CD thermal denaturation, (1)H NMR experiments at variable temperature, and molecular modeling. All synthesized TEL-ODNs formed parallel G-quadruplex structures. Particularly, the TEL-ODN containing all parallel ODN tracts formed very stable parallel G-quadruplex complexes, whereas the TEL-ODNs containing antiparallel ODN pairs led to relatively less stable parallel G-quadruplexes. The molecular modeling data suggested that the above antiparallel TEL-ODNs can adopt parallel G-quadruplex structures thanks to a considerable folding of the tetra-end-linker around the whole quadruplex scaffold. PMID:16848394

  11. Development of novel tetra- and trinucleotide microsatellite markers for giant grouper Epinephelus lanceolatus using 454 pyrosequencing.

    PubMed

    Kim, Keun-Sik; Noh, Choong Hwan; Moon, Shin-Joo; Han, Seung-Hee; Bang, In-Chul

    2016-06-01

    Giant grouper (Epinephelus lanceolatus) is a commercially important species, but its wild population has recently been classified as vulnerable. This species has significant potential for use in aquaculture, though a greater understanding of population genetics is necessary for selective breeding programs to minimize kinship for genetically healthy individuals. High-throughput pyrosequencing of genomic DNA was used to identify and characterize novel tetra- and trinucleotide microsatellite markers in giant grouper from Sabah, Malaysia. In total, of 62,763 sequences containing simple sequence repeats (SSRs) were obtained, and 78 SSR loci were selected to possibly contain tetra- and trinucleotide repeats. Of these loci, 16 had tetra- and 8 had trinucleotide repeats, all of which exhibited polymorphisms within easily genotyped regions. A total of 143 alleles were identified with an average of 5.94 alleles per locus, with mean observed and expected heterozygosities of 0.648 and 0.620, respectively. Among of them, 15 microsatellite markers were identified without null alleles and with Hardy-Weinberg equilibrium. These alleles showed a combined non-exclusion probability of 0.01138. The probability of individual identification (PID) value combined with in descending order 12 microsatellite markers was 0.00008, which strongly suggests that the use of the microsatellite markers developed in this study in various combinations would result in a high resolution method for parentage analysis and individual identification. These markers could be used to establish a broodstock management program for giant grouper and to provide a foundation for genetic studies such as population structure, parentage analysis, and kinship selection. PMID:27059503

  12. Bis(2-hy­droxy­ethanaminium) tetra­chloridopalladate(II)

    PubMed Central

    Guzei, Ilia A.; Spencer, Lara C.; Yankey, Margaret; Darkwa, James

    2010-01-01

    In the title compound, (C2H8NO)2[PdCl4], 2-hy­droxy­ethanaminium cations and tetra­chloridopalladate(II) dianions crystallize in a 2:1 ratio with the anion residing on a crystallographic inversion center. The cations and anions are linked in a complex three-dimensional framework by three types of strong hydrogen bonds (N—H⋯O, N—H⋯Cl, and O—H⋯Cl), which form various ring and chain patterns of up to the ternary graph-set level. PMID:21589244

  13. Structural and functional discussion of the tetra-trico-peptide repeat, a protein interaction module.

    PubMed

    Zeytuni, Natalie; Zarivach, Raz

    2012-03-01

    Tetra-trico-peptide repeat (TPR) domains are found in numerous proteins, where they serve as interaction modules and multiprotein complex mediators. TPRs can be found in all kingdoms of life and regulate diverse biological processes, such as organelle targeting and protein import, vesicle fusion, and biomineralization. This review considers the structural features of TPR domains that permit the great ligand-binding diversity of this motif, given that TPR-interacting partners display variations in both sequence and secondary structure. In addition, tools for predicting TPR-interacting partners are discussed, as are the abilities of TPR domains to serve as protein-protein interaction scaffolds in biotechnology and therapeutics. PMID:22404999

  14. The effects of UV irradiation on titania deposition from titanium tetra-isopropoxide

    NASA Astrophysics Data System (ADS)

    Egashira, Yasuyuki; Sugimachi, Masato; Nishizawa, Kouichi; Saito, Kazunobu; Osawa, Toshio; Komiyama, Hiroshi

    1994-05-01

    The influence of UV irradiation on the deposition of titania from titanium tetra-isopropoxide (TTIP) under reduced pressure was studied. It was found that UV irradiation accelerates the titania growth rate by a factor of 2-3 in the temperature range of 573 to 623 K. The coverage quality of micron-size trenches in the cases with and without UV irradiation indicates the role of the photo-enhanced surface reaction. The threshold wavelength of 380 nm which is equivalent to the energy gap of anatase indicates strongly that band-to-band excitation is responsible for the photo-enhanced surface reaction.

  15. First Delayed Neutron Emission Measurements at Alto with the Neutron Detector Tetra

    NASA Astrophysics Data System (ADS)

    Testov, D.; Ancelin, S.; Bettane, J.; Ibrahim, F.; Kolos, K.; Kuznetsova, E.; Mavilla, G.; Niikura, M.; Penionzhkevich, Yu.; Smirnov, V.; Sokol, E.; Verney, D.; Wilson, J.

    2013-06-01

    Beta decay properties are among the easiest and therefore, the first ones to be measured to study new neutron rich isotopes. Eventually it could be sufficient just a few number of nuclei to estimate its lifetime and neutron emission probability. With the new radioactive beam facilities which have been commissioned recently (or will have been constructed shortly) new areas of neutron rich isotopes are becoming reachable. To study beta decay properties of such nuclei at IPN Orsay in the frame of collaboration with JINR, Dubna a new experimental setup including the neutron detector TETRA of high efficiency was developed and commissioned.

  16. Communication: Substrate induced dehydrogenation: Transformation of octa-ethyl-porphyrin into tetra-benzo-porphyrin

    NASA Astrophysics Data System (ADS)

    van Vörden, D.; Lange, M.; Schmuck, M.; Schaffert, J.; Cottin, M. C.; Bobisch, C. A.; Möller, R.

    2013-06-01

    Individual molecules of octa-ethyl-porhphyrin-iron(III)-chloride adsorbed on a Cu(111) surface are studied by scanning tunneling microscopy. Upon moderate heating the molecules are found to transform into Fe-tetra-benzo-porphyrin at a surprisingly low temperature of 380 K. If the annealing is interrupted, the different steps of the transformation can be imaged. By evaluating the ratio of transformed molecules as function of annealing temperature, an approximate activation energy of 1.2 eV ± 0.1 eV could be determined.

  17. Bis(S-benzyl­isothio­uronium) tetra­chloridozincate(II)

    PubMed Central

    Gayathri, D.; Velmurugan, D.; Hemalatha, P.; Veeravazhuthi, V.; Ravikumar, K.

    2008-01-01

    The asymmetric unit of the title compound, (C8H11N2S)2[ZnCl4], contains two S-benzyl­isothio­uronium cations which differ in the C—C—S—C torsion angle [165.3 (2) and 81.9 (2)°] and a tetrahedral tetra­chloridozincate anion. The crystal structure is stabilized by N—H⋯Cl, C—H⋯Cl and C—H⋯S inter­actions. PMID:21202526

  18. Communication: Substrate induced dehydrogenation: transformation of octa-ethyl-porphyrin into tetra-benzo-porphyrin.

    PubMed

    van Vörden, D; Lange, M; Schmuck, M; Schaffert, J; Cottin, M C; Bobisch, C A; Möller, R

    2013-06-01

    Individual molecules of octa-ethyl-porhphyrin-iron(III)-chloride adsorbed on a Cu(111) surface are studied by scanning tunneling microscopy. Upon moderate heating the molecules are found to transform into Fe-tetra-benzo-porphyrin at a surprisingly low temperature of 380 K. If the annealing is interrupted, the different steps of the transformation can be imaged. By evaluating the ratio of transformed molecules as function of annealing temperature, an approximate activation energy of 1.2 eV ± 0.1 eV could be determined. PMID:23758351

  19. 1,3-Bis(pyridin-2-yl)-1H-benzimidazol-3-ium tetra­fluoridoborate

    PubMed Central

    Grieco, Gabriele; Blacque, Olivier; Berke, Heinz

    2011-01-01

    The asymmetric unit of the title compound, C17H13N4 +·BF4 −, contains one half of the benzimidazolium cation and one half of the tetra­fluoridoborate anion, with crystallographic mirror planes bis­ecting the mol­ecules. One F atom of the tetra­fluoridoborate is equally disordered about a crystallographic mirror plane. In the crystal, C—H⋯F inter­actions link the cations and anions into layers parallel to (100). The crystal packing is further stabilized by F⋯π contacts involving the tetra­fluoridoborate anions and the five-membered rings [F⋯centroid = 2.811 (2) Å]. PMID:22091091

  20. Crystal structure of non-centrosymmetric bis-(4-meth-oxy-benzyl-ammonium) tetra-chlorido-zincate.

    PubMed

    Mahbouli Rhouma, Najla; Rayes, Ali; Mezzadri, Francesco; Calestani, Gianluca; Loukil, Mohamed

    2016-07-01

    The structure of the title non-centrosymmetric organic-inorganic hybrid salt, (C8H12NO)2[ZnCl4], consists of two 4-meth-oxy-benzyl-ammonium cations sandwiched between anionic layers, formed by isolated tetra-chlorido-zincate tetra-hedra. The double layers extend parallel to the ac plane. The crystal packing is assured by Coulombic inter-actions and by a complex N-H⋯Cl and C-H⋯Cl hydrogen-bonding system mostly involving the positively charged ammonium groups and the chloride ligands of the isolated tetra-hedral [ZnCl4](2-) units. One of the methyl-ene-ammonium groups is disordered over two sets of sites in a 0.48 (2):0.52 (2) ratio. The crystal investigated was twinned by non-merohedry with a twin component ratio of 0.738 (2):0.262 (2). PMID:27555961

  1. Crystal structure of an unknown tetra-hydro-furan solvate of tetra-kis-(μ 3-cyanato-κ(3) N:N:N)tetra-kis-[(triphenyl-phosphane-κP)-silver(I)].

    PubMed

    Frenzel, Peter; Schaarschmidt, Dieter; Jakob, Alexander; Lang, Heinrich

    2015-10-01

    In the title compound, [{[(C6H5)3P]Ag}4{NCO}4], a distorted Ag4N4-heterocubane core is set up by four Ag(I) ions being coordinated by the N atoms of the cyanato anions in a μ 3-bridging mode. In addition, a tri-phenyl-phosphine ligand is datively bonded to each of the Ag(I) ions. Intra-molecular Ag⋯Ag distances as short as 3.133 (9) Å suggest the presence of argentophilic (d (10)⋯d (10)) inter-actions. Five moderate-to-weak C-H⋯O hydrogen-bonding inter-actions are observed in the crystal structure, spanning a three-dimensional network. A region of electron density was treated with the SQUEEZE procedure in PLATON [Spek (2015). Acta Cryst. C71, 9-18] following unsuccessful attempts to model it as being part of disordered tetra-hydro-furan solvent mol-ecules. The given chemical formula and other crystal data do not take into account these solvent mol-ecules. PMID:26594421

  2. Crystal structure of an unknown tetra­hydro­furan solvate of tetra­kis­(μ 3-cyanato-κ3 N:N:N)tetra­kis­[(triphenyl­phosphane-κP)­silver(I)

    PubMed Central

    Frenzel, Peter; Schaarschmidt, Dieter; Jakob, Alexander; Lang, Heinrich

    2015-01-01

    In the title compound, [{[(C6H5)3P]Ag}4{NCO}4], a distorted Ag4N4-heterocubane core is set up by four AgI ions being coordinated by the N atoms of the cyanato anions in a μ 3-bridging mode. In addition, a tri­phenyl­phosphine ligand is datively bonded to each of the AgI ions. Intra­molecular Ag⋯Ag distances as short as 3.133 (9) Å suggest the presence of argentophilic (d 10⋯d 10) inter­actions. Five moderate-to-weak C—H⋯O hydrogen-bonding inter­actions are observed in the crystal structure, spanning a three-dimensional network. A region of electron density was treated with the SQUEEZE procedure in PLATON [Spek (2015). Acta Cryst. C71, 9–18] following unsuccessful attempts to model it as being part of disordered tetra­hydro­furan solvent mol­ecules. The given chemical formula and other crystal data do not take into account these solvent mol­ecules. PMID:26594421

  3. HPC - Facilities Penta

    SciTech Connect

    Trujillo, Angelina Michelle

    2015-10-08

    Strategy, Planning, Acquiring- very large scale computing require very large physical infrastructures, pipes, pumps, power, etc. Planning and acquiring $25M+ infrastructure projects and bringing in more power to the county takes a lot of long lead time / planning. Integration- New physical infrastructure must be integrated into our buildings, with the LANL site power and water systems, with existing infrastructure, and with the machines. Very large physical infrastructure projects are necessary. Management and Utilization – Ongoing operations, monitoring, maintenance, and trouble shooting of the physical infrastructure is required.

  4. HPC - Platforms Penta Chart

    SciTech Connect

    Trujillo, Angelina Michelle

    2015-10-08

    Strategy, Planning, Acquiring- very large scale computing platforms come and go and planning for immensely scalable machines often precedes actual procurement by 3 years. Procurement can be another year or more. Integration- After Acquisition, machines must be integrated into the computing environments at LANL. Connection to scalable storage via large scale storage networking, assuring correct and secure operations. Management and Utilization – Ongoing operations, maintenance, and trouble shooting of the hardware and systems software at massive scale is required.

  5. The 3He long-counter TETRA at the ALTO ISOL facility

    NASA Astrophysics Data System (ADS)

    Testov, D.; Verney, D.; Roussière, B.; Bettane, J.; Didierjean, F.; Flanagan, K.; Franchoo, S.; Ibrahim, F.; Kuznetsova, E.; Li, R.; Marsh, B.; Matea, I.; Penionzhkevich, Yu.; Pai, H.; Smirnov, V.; Sokol, E.; Stefan, I.; Suzuki, D.; Wilson, J. N.

    2016-04-01

    A new β-decay station (BEDO) has been installed behind the PARRNe mass separator operated on-line at the electron-driven ALTO ISOL facility. The station is equipped with a movable tape collector allowing the creation of the radioactive sources of interest at the very center of a modular detection system. The mechanical structure was designed to host various assemblies of detectors in compact geometry. We report here the first on-line use of this system equipped with the 4π 3He neutron counter TETRA built at JINR Dubna associated with HPGe and plastic 4π β detectors. The single neutron detection efficiency achieved is 53(2)% measured using the 252Cf source. For β-delayed neutron measurements the neutron detection efficiency was derived from the comparison of gated γ-spectra. The on-line commissioning of the TETRA setup was performed with laser-ionized gallium beams. β and neutron events were recorded as a function of time. From these data we report P1n(82Ga)=22(2)% and T1/2(82Ga)=0.604(11) s in good agreement with values available in the literature. The new detection system will be used in other experiments aimed at investigations of β-decay properties of neutron-rich isotopes produced at ALTO.

  6. Intestinal and liver morphometry of the Yellow Tail Tetra (Astyanax altiparanae) fed with oregano oil.

    PubMed

    Ferreira, Pollyanna M F; Caldas, Débora W; Salaro, Ana Lúcia; Sartori, Sirlene S R; Oliveira, Jerusa M; Cardoso, Alex J S; Zuanon, Jener A S

    2016-01-01

    This study aimed to evaluate the effect of oregano oil on the intestinal and liver morphometry of yellow tail tetra, Astyanax altiparanae. Fish (1.46 ± 0.09 g) were kept in a 60-L aquaria, at a stocking density of 0.5 fi sh L-1. Six diets containing varying amounts of oregano oil were evaluated (0.0; 0.5; 1.0; 1.5; 2.0 and 2.5 g of oregano oil kg-1). At the end of 90 days, the fi sh were euthanised. Four intestines and four livers were collected per treatment, which were fi xed in Bouin and embedded in resin. For height and width folds, the absorption surface area and thickness of the muscular layer a positive linear effect of oregano oil was observed. A decrescent linear effect on the total number of goblet cells was also observed. For the cytoplasmic percentage of hepatocytes and liver glycogen, a positive linear effect of oregano oil was observed. There was a decreasing linear effect on the percentage of nuclei in the hepatocytes and capillaries. Thus, the oregano essential oil promotes increased absorption areas, modulates the amount of goblet cells involved in protecting the intestinal mucosa and promotes cytoplasmic increase with greater deposition of liver glycogen in yellow tail tetra. PMID:27331801

  7. Mechanism of variable structural colour in the neon tetra: quantitative evaluation of the Venetian blind model

    PubMed Central

    Yoshioka, S.; Matsuhana, B.; Tanaka, S.; Inouye, Y.; Oshima, N.; Kinoshita, S.

    2011-01-01

    The structural colour of the neon tetra is distinguishable from those of, e.g., butterfly wings and bird feathers, because it can change in response to the light intensity of the surrounding environment. This fact clearly indicates the variability of the colour-producing microstructures. It has been known that an iridophore of the neon tetra contains a few stacks of periodically arranged light-reflecting platelets, which can cause multilayer optical interference phenomena. As a mechanism of the colour variability, the Venetian blind model has been proposed, in which the light-reflecting platelets are assumed to be tilted during colour change, resulting in a variation in the spacing between the platelets. In order to quantitatively evaluate the validity of this model, we have performed a detailed optical study of a single stack of platelets inside an iridophore. In particular, we have prepared a new optical system that can simultaneously measure both the spectrum and direction of the reflected light, which are expected to be closely related to each other in the Venetian blind model. The experimental results and detailed analysis are found to quantitatively verify the model. PMID:20554565

  8. Mechanism of variable structural colour in the neon tetra: quantitative evaluation of the Venetian blind model.

    PubMed

    Yoshioka, S; Matsuhana, B; Tanaka, S; Inouye, Y; Oshima, N; Kinoshita, S

    2011-01-01

    The structural colour of the neon tetra is distinguishable from those of, e.g., butterfly wings and bird feathers, because it can change in response to the light intensity of the surrounding environment. This fact clearly indicates the variability of the colour-producing microstructures. It has been known that an iridophore of the neon tetra contains a few stacks of periodically arranged light-reflecting platelets, which can cause multilayer optical interference phenomena. As a mechanism of the colour variability, the Venetian blind model has been proposed, in which the light-reflecting platelets are assumed to be tilted during colour change, resulting in a variation in the spacing between the platelets. In order to quantitatively evaluate the validity of this model, we have performed a detailed optical study of a single stack of platelets inside an iridophore. In particular, we have prepared a new optical system that can simultaneously measure both the spectrum and direction of the reflected light, which are expected to be closely related to each other in the Venetian blind model. The experimental results and detailed analysis are found to quantitatively verify the model. PMID:20554565

  9. Water dynamics in aqueous solutions of tetra-n-alkylammonium salts: hydrophobic and Coulomb interactions disentangled.

    PubMed

    van der Post, Sietse T; Scheidelaar, Stefan; Bakker, Huib J

    2013-12-01

    We studied the effects of tetra-n-alkylammonium bromide (N(C(n)H(2n+1))(4)(+)Br(-)) salts on the dynamics of water using polarization-resolved femtosecond infrared spectroscopy. With this technique, we are capable of distinguishing the response of water solvating the hydrophobic cations from that of water solvating the bromide anion. We observe that both types of ions slow down the orientational dynamics of the water molecules in their solvation shells. However, the nature of this slowdown is different for both ions. For the hydrophobic cation, we find an increasing number of retarded water molecules, scaling with the alkyl chain length. Water in the bromide solvation shell experiences a partial decay of its orientation by a fast wobbling motion, after which the remaining anisotropy decays much slower. The dynamics of the wobbling motion are observed to be dependent on the nature of the cation. For Me(4)NBr, the slow reorientation time is not concentration-dependent, and no aggregation is observed. This is in contrast to the tetra-n-alkylammonium salts with longer alkyl chains, for which the slow reorientation time of bromide-bound water molecules increases dramatically with concentration, and clusters of cations and anions appear to be formed. PMID:24228939

  10. Clay induced aggregation of a tetra-cationic metalloporphyrin in Layer by Layer self assembled film

    NASA Astrophysics Data System (ADS)

    Banik, Soma; Bhattacharjee, J.; Hussain, S. A.; Bhattacharjee, D.

    2015-12-01

    Porphyrins have a general tendency to form aggregates in ultrathin films. Also electrostatic adsorption of cationic porphyrins onto anionic nano clay platelets results in the flattening of porphyrin moieties. The flattening is evidenced by the red-shifting of Soret band with respect to the aqueous solution. In the present communication, we have studied the clay induced aggregation behaviour of a tetra-cationic metalloporphyrin Manganese (III) 5, 10, 15, 20-tetra (4 pyridyl)-21 H, 23 H-porphine chloride tetrakis (methochloride) (MnTMPyP) in Layer-by-Layer (LbL) self assembled film. The adsorption of dye molecules onto nano clay platelets resulted in the flattening of the meso substituent groups of the dye chromophore. In Layer-by-Layer ultrathin film, the flattened porphyrin molecules tagged nano clay platelets were further associated to form porphyrin aggregates. This has been clearly demonstrated from the UV-vis absorption spectroscopic studies. Atomic Force Microscopic (AFM) studies gave visual evidence of the association of organo-clay hybrid molecules in the LbL film.

  11. Solvent-templated supramolecular isomerism in 2D coordination polymer constructed by Ni(II)2Co(II) nodes and dicyanamido spacers: drastic change in magnetic behaviours.

    PubMed

    Ghosh, Soumavo; Mukherjee, Sandip; Seth, Piya; Mukherjee, Partha Sarathi; Ghosh, Ashutosh

    2013-10-01

    Two heterometallic coordination polymers (CPs) have been prepared using [Ni(II)L]2Co(II) (where H2L = N,N'-bis(salicylidene)-1,3-propanediamine) as nodes and dicyanamido spacers by varying the solvent for synthesis. Structural characterizations revealed that methanol assisted the formation of a two-dimensional (4,4) connected rhombic grid network of [(NiL)2Co(NCNCN)2]∞ (1a) whereas relatively less polar acetonitrile afforded a different superstructure {[(NiL)2Co(NCNCN)2]·CH3CN}∞ (1b) with a two-dimensional (4,4) connected square grid network. The presence of acetonitrile molecules in the structure of 1b seems to change the spatial orientation of the terminal metalloligands [NiL] from pseudo-eclipsed in 1a to staggered-like in 1b around the central Co(II). These structural changes in the nodes together with the conformationally flexible dicyanamido spacers, which are cis coordinated to the Co(II) in both trinuclear units, led to the differences in the final 2D network. Variable-temperature magnetic susceptibility measurements revealed that this supramolecular isomerism led to a drastic transition from spin-frustrated antiferromagnetism for 1a to a dominant ferromagnetic behaviour for 1b. The geometrical differences in Ni2Co coordination clusters (CCs) which are scalene triangular in 1a but nearly linear in 1b, are held responsible for the changes of the magnetic properties. The DFT calculations of exchange interactions between metal centres provide a clear evidence of the role played by the fundamental geometrical factors on the nature and magnitude of the magnetic coupling in these pseudo-polymorphic CPs. PMID:23900267

  12. Synthesis, magnetic, thermal and structural properties of Co(II), Ni(II) and Cu(II) complexes containing isophthalato ligands

    NASA Astrophysics Data System (ADS)

    Rogan, Jelena; Poleti, Dejan; Karanović, Ljiljana; Jagličić, Zvonko

    2011-01-01

    A series of novel ternary Co(II), Ni(II) and Cu(II) complexes containing 2,2'-dipyridylamine (dipya), 2,2'-bipyridine (bipy), and 1,10-phenanthroline (phen), as aromatic diamine ligands, and dianion of isophthalic acid (ipht) have been prepared by ligand exchange reactions from diluted H 2O/EtOH solutions. The complexes were characterized by elemental analysis, IR spectroscopy, magnetic susceptibility measurements and TG and DSC analysis. Three complexes, Cu(dipya)(ipht)·H 2O ( 1), Co(dipya)(ipht)·2H 2O ( 2) and Cu(ipht)(phen)·2H 2O ( 5) are polymeric with bis-monodentate ipht, while the other two complexes M(bipy)(ipht)·4H 2O, M dbnd Co(II) ( 3) and Ni(II) ( 4), contain ipht as a counter ion. All Co(II) and Ni(II) complexes are (pseudo)octahedral, while Cu(II) complexes have square-pyramidal or distorted octahedral geometry. The variable temperature magnetic susceptibility measurements showed very weak antiferromagnetic behaviour for all complexes. Dehydration processes, decomposition mechanisms and thermal stability of 1- 5 are assumed. One complex from the above series, [Ni(bipy)(H 2O) 4](ipht) ( 4), and one additional complex, [Co(bipy)(ipht)] n ( 6), are obtained as single-crystals and their structures are determined from X-ray diffraction data. In both structures M(II) centers are in deformed octahedral environment and they are linked by hemi-ipht ligands ( 4) and two different bridging ipht ligands ( 6). Three-dimensional networks in 4 and 6 are governed by strong noncovalent interactions. The cations and ipht anions in 4 are connected by hydrogen bonds building double layers parallel to ab-plane that are further packed by π- π interactions. In 6 double chains extending along b-axis are strengthened by interchain π- π interactions constructing a three-dimensional framework.

  13. The Role of PentaCoordinated Al3+ Ions in the High Temperature Phase Transformation of γ-Al2O3

    SciTech Connect

    Kwak, Ja Hun; Hu, Jian Zhi; Lukaski, Adrienne C.; Kim, Do Heui; Szanyi, Janos; Peden, Charles HF

    2008-06-26

    In this work, the structural stability of gamma-alumina (γ-Al2O3) was investigated by a combination of XRD and high resolution solid state 27Al MAS NMR at an ultra-high magnetic field of 21.1 tesla. XRD measurements show that γ-Al2O3 undergoes a phase transition to θ-Al2O3 during calcination at 1000oC for 10hr. The formation of the θ-Al2O3 phase is further confirmed by 27Al MAS NMR; additional 27Al peaks centered at 10.5 and ~78 ppm were observed in samples calcined at this high temperature. Both the XRD and NMR results indicate that, after calcination at 1000°C for 10 hrs, the ratio of the θ-Al2O3 phase to the total alumina in samples modified by either BaO or La2O3 is significantly reduced in comparison with γ-Al2O3. 27Al MAS NMR spectra revealed that the reduction in the extent of θ-Al2O3 formation was highly correlated with the reduction in the amount of penta-coordinated aluminum ions, measured after 500°C calcination, in both BaO- and La2O3-modified γ-Al2O3 samples. These results strongly suggest that the penta-coordinated aluminum ions, present exclusively on the surface of γ-Al2O3, play a critical role in the phase transformation of γ-Al2O3 to θ-Al2O3. The role of the modifiers, in our case BaO or La2O3, is to convert the penta-coordinated aluminum ions into octahedral ones, thereby improving the thermal stabilities of the samples. Oxide additives, on the other hand, had no beneficial effect on preventing the specific surface area reduction that occurred during high temperature (≤1000°C) calcination.

  14. Cognitive and physiological responses in humans exposed to a TETRA base station signal in relation to perceived electromagnetic hypersensitivity.

    PubMed

    Wallace, Denise; Eltiti, Stacy; Ridgewell, Anna; Garner, Kelly; Russo, Riccardo; Sepulveda, Francisco; Walker, Stuart; Quinlan, Terence; Dudley, Sandra; Maung, Sithu; Deeble, Roger; Fox, Elaine

    2012-01-01

    Terrestrial Trunked Radio (TETRA) technology ("Airwave") has led to public concern because of its potential interference with electrical activity in the brain. The present study is the first to examine whether acute exposure to a TETRA base station signal has an impact on cognitive functioning and physiological responses. Participants were exposed to a 420 MHz TETRA signal at a power flux density of 10 mW/m(2) as well as sham (no signal) under double-blind conditions. Fifty-one people who reported a perceived sensitivity to electromagnetic fields as well as 132 controls participated in a double-blind provocation study. Forty-eight sensitive and 132 control participants completed all three sessions. Measures of short-term memory, working memory, and attention were administered while physiological responses (blood volume pulse, heart rate, skin conductance) were monitored. After applying exclusion criteria based on task performance for each aforementioned cognitive measure, data were analyzed for 36, 43, and 48 sensitive participants for these respective tasks and, likewise, 107,125, and 129 controls. We observed no differences in cognitive performance between sham and TETRA exposure in either group; physiological response also did not differ between the exposure conditions. These findings are similar to previous double-blind studies with other mobile phone signals (900-2100 MHz), which could not establish any clear evidence that mobile phone signals affect health or cognitive function. PMID:21647932

  15. Development and identification of monoclonal antibodies against meso-Tetra (alpha,alpha,alpha,alpha,-O-phenylacetamide benzene) porphyrin.

    PubMed

    Wang, Fengyang; Huang, Xueying; Du, Li; Li, Weiguo; Qi, Chao

    2007-04-01

    The small molecule meso-Tetra (alpha,alpha,alpha,alpha-o-phenylacetamide benzene) porphyrin was synthesized through the condensation of o-nitrobenzaldehyde and pyrrole followed by reduction of the meso-tetra (o-nitrophenyl) porphyrin. The small molecule, without carrier, was used as complete antigen to immunize BALB/ C mice. Spleen cells producing high titer antibody were removed and fused with myeloma cells of SP2/0 origin. Using a conventional immunization protocol, stable murine monoclonal antibodies (MAbs) producing cell lines to meso-Tetra (alpha,alpha,alpha,alpha-o-phenylacetamide benzene) porphyrin 1F2 were obtained. Subclass determination showed that the clones produce IgG2a types of MAbs. The analytical results of HPLC and MALDI/TOFMS suggest that the purity of MAb 1F2 is 100%, and MAb 1F2 has a relative molecular weight of 156678.8 Da. Our results demonstrated that small molecule meso-Tetra (alpha,alpha,alpha,alpha-o-phenylacetamide benzene) porphyrin, as semiantigen without carrier, can elicit the formation of MAbs. PMID:17451352

  16. Effects of penta-O-galloyl-β-D-glucose on human neutrophil function: significant down-regulation of L-selectin expression.

    PubMed

    Kiss, Anna K; Filipek, Agnieszka; Zyżyńska-Granica, Barbara; Naruszewicz, Marek

    2013-07-01

    Penta-O-galloyl-β-D-glucose (PGG) occurrs in high concentrations in medicinal herbs such as Rhus chinensis, Paeonia suffruticosa, Acer truncatum and Terminalia chebula, which demonstrate anti-inflammatory activity. We investigated the effect of PGG on stimulated and non-stimulated neutrophils in processes which included reactive oxygen species generation (ROS), metalloproteinase-9 and interleukin-8 secretion (IL-8), β₂ integrin (CD11b) and L-selectin (CD62L) expression and apoptosis. In concentrations of 5 μM-20 μM, PGG demonstrated statistically significant inhibition of ROS generation, IL-8 secretion and β₂ integrin expression in stimulated neutrophils. The inhibition of L-selectin expression by PGG resulted in prevention in neutrophils' endothelial attachment. The result obtained may explain the anti-inflammatory activity of this compound and underline the contribution of PGG in the activity of PGG rich plant extracts. PMID:22899541

  17. Novel pharmaceutical composition of bradykinin potentiating penta peptide with beta-cyclodextrin: physical-chemical characterization and anti-hypertensive evaluation.

    PubMed

    Denadai, Angelo M L; Ianzer, Danielle; Alcântara, Antônio Flávio de C; Santoro, Marcelo M; Santos, Cynthia F F; Lula, Ivana Silva; de Camargo, Antônio C M; Faljoni-Alario, Adelaide; dos Santos, Robson A S; Sinisterra, Rubén D

    2007-05-01

    This work describes chemical properties and anti-hypertensive activity of an oral pharmaceutical formulation obtained from the complexation of beta-cyclodextrin (beta-CD) with bradykinin potentiating penta peptide (BPP-5a) founded in the Bothrops jararaca poison. Physical chemistry characterizations were recorded in order to investigate the intermolecular interactions between species in complex. Circular dichroism data indicated conformational changes of BPP-5a upon complexation with beta-CD. ROESY and theoretical calculations showed a selective approximation of triptophan moiety into cavity of beta-CD. Isothermal titration calorimetry data indicated an exothermic formation of the complex, which is accomplished by reduction of entropy. The anti-hypertensive activity of the BPP-5a/beta-CD complex has been evaluated in spontaneous hypertensive rats, showing better results than pure BPP-5a. PMID:17196774

  18. Synthesis and biological evaluation of new penta- and heptacyclic indolo- and quinolinocarbazole ring systems obtained via Pd(0) catalysed reductive N-heteroannulation.

    PubMed

    Laronze-Cochard, Marie; Cochard, Fabien; Daras, Etienne; Lansiaux, Amélie; Brassart, Bertrand; Vanquelef, Enguerran; Prost, Elise; Nuzillard, Jean-Marc; Baldeyrou, Brigitte; Goosens, Jean-François; Lozach, Olivier; Meijer, Laurent; Riou, Jean-François; Henon, Eric; Sapi, Janos

    2010-10-21

    A short route, involving a tetramolecular condensation reaction and a Pd/C catalyst-H(2)-mediated reductive N-heteroannulation as the key-steps, has been found for the synthesis of some new penta- and heptacyclic indolo- (12), quinolino- (13) and indoloquinolinocarbazole (11) derivatives. HF-DFT (B3LYP) energy profiles and NMR calculations were carried out to help in the understanding of the experimental results. N-Alkylated indoloquinolinocarbazoles (16b, 17a, 17b and 18) were prepared and screened essentially toward some cancer-(G-quadruplex, DNA, topoisomerase I) and CNS-related (kinases) targets. Biological results evidenced 13 as a potent CDK-5 and GSK-3β kinases inhibitor, while di- or triaminopropyl-substituted indoloquinolinocarbazoles 17b or 18 targeted rather DNA-duplex or telomeric G-quadruplex structures, respectively. PMID:20734015

  19. Theoretical Modeling of the Magnetic Behavior of Thiacalix[4]arene Tetranuclear Mn(II)2Gd(III)2 and Co(II)2Eu(III)2 Complexes.

    PubMed

    Aldoshin, Sergey M; Sanina, Nataliya A; Palii, Andrew V; Tsukerblat, Boris S

    2016-04-01

    In view of a wide perspective of 3d-4f complexes in single-molecule magnetism, here we propose an explanation of the magnetic behavior of the two thiacalix[4]arene tetranuclear heterometallic complexes Mn(II)2Gd(III)2 and Co(II)2Eu(III)2. The energy pattern of the Mn(II)2Gd(III)2 complex evaluated in the framework of the isotropic exchange model exhibits a rotational band of the low-lying spin excitations within which the Landé intervals are affected by the biquadratic spin-spin interactions. The nonmonotonic temperature dependence of the χT product observed for the Mn(II)2Gd(III)2 complex is attributed to the competitive influence of the ferromagnetic Mn-Gd and antiferromagnetic Mn-Mn exchange interactions, the latter being stronger (J(Mn, Mn) = -1.6 cm(-1), Js(Mn, Gd) = 0.8 cm(-1), g = 1.97). The model for the Co(II)2Eu(III)2 complex includes uniaxial anisotropy of the seven-coordinate Co(II) ions and an isotropic exchange interaction in the Co(II)2 pair, while the Eu(III) ions are diamagnetic in their ground states. Best-fit analysis of χT versus T showed that the anisotropic contribution (arising from a large zero-field splitting in Co(II) ions) dominates (weak-exchange limit) in the Co(II)2Eu(III)2 complex (D = 20.5 cm(-1), J = -0.4 cm(-1), gCo = 2.22). This complex is concluded to exhibit an easy plane of magnetization (arising from the Co(II) pair). It is shown that the low-lying part of the spectrum can be described by a highly anisotropic effective spin-(1)/2 Hamiltonian that is deduced for the Co(II)2 pair in the weak-exchange limit. PMID:26974224

  20. Crystal structure of the inclusion complex 25-benzo­ylmeth­oxy-5,11,17,23-tetra-tert-butyl-26,27,28-trihy­droxy-2,8,14,20-tetra­thia­calix[4]arene–tetra­ethyl­ammonium chloride (1/1)

    PubMed Central

    Akkurt, Mehmet; Jasinski, Jerry P.; Mohamed, Shaaban K.; Omran, Omran A.; Albayati, Mustafa R.

    2015-01-01

    The asymmetric unit of the title compound, C48H54O5S4·N(C2H5)4 +·Cl−, contains two tetra-tert-butyl-[(benzo­yl)meth­oxy]-trihy­droxy-tetra­thia­calix[4]arene mol­ecules, two tetra­ethyl­ammonium cations and two chloride anions. The two calixarene molecules in the asymmetric unit each display a cone conformation. There are no significant differences between the two independent molecules. The guest species do not sit within the calixarene ‘buckets’. In the crystal, extensive O—H⋯O, O—H⋯S and O—H⋯Cl hydrogen bonds and weak C—H⋯O, C—H⋯S and C—H⋯Cl inter­actions link the thia­calixarene mol­ecules, tetra­ethyl­ammonium cations and chloride anions, forming a three-dimensional network encompassing channels running parallel to the a-axis direction. The structure contains a solvent-accessible void of 76 (3) Å3, but no solvent mol­ecule could reasonably be located. The crystal studied was an inversion twin with a 0.57 (8):0.43 (8) domain ratio. PMID:26594550

  1. Crystal structure of the inclusion complex 25-benzo-ylmeth-oxy-5,11,17,23-tetra-tert-butyl-26,27,28-trihy-droxy-2,8,14,20-tetra-thia-calix[4]arene-tetra-ethyl-ammonium chloride (1/1).

    PubMed

    Akkurt, Mehmet; Jasinski, Jerry P; Mohamed, Shaaban K; Omran, Omran A; Albayati, Mustafa R

    2015-11-01

    The asymmetric unit of the title compound, C48H54O5S4·N(C2H5)4 (+)·Cl(-), contains two tetra-tert-butyl-[(benzo-yl)meth-oxy]-trihy-droxy-tetra-thia-calix[4]arene mol-ecules, two tetra-ethyl-ammonium cations and two chloride anions. The two calixarene molecules in the asymmetric unit each display a cone conformation. There are no significant differences between the two independent molecules. The guest species do not sit within the calixarene 'buckets'. In the crystal, extensive O-H⋯O, O-H⋯S and O-H⋯Cl hydrogen bonds and weak C-H⋯O, C-H⋯S and C-H⋯Cl inter-actions link the thia-calixarene mol-ecules, tetra-ethyl-ammonium cations and chloride anions, forming a three-dimensional network encompassing channels running parallel to the a-axis direction. The structure contains a solvent-accessible void of 76 (3) Å(3), but no solvent mol-ecule could reasonably be located. The crystal studied was an inversion twin with a 0.57 (8):0.43 (8) domain ratio. PMID:26594550

  2. Gelation mechanism of tetra-armed poly(ethylene glycol) in aprotic ionic liquid containing nonvolatile proton source, protic ionic liquid.

    PubMed

    Hashimoto, Kei; Fujii, Kenta; Nishi, Kengo; Sakai, Takamasa; Yoshimoto, Nobuko; Morita, Masayuki; Shibayama, Mitsuhiro

    2015-04-01

    We report the gelation mechanism of tetra-armed prepolymer chains in typical aprotic ionic liquid (aIL), i.e., A-B type cross-end coupling reaction of tetra-armed poly(ethylene glycol)s with amine and activated ester terminals (TetraPEG-NH2 and TetraPEG-NHS, respectively) in 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide ([C2mIm][TFSA]). In the ion gel system, we focused on the pH (or H(+) concentration) dependence of the gelation reaction. We thus applied the protic ionic liquid (pIL), 1-ethylimidazolium TFSA ([C2ImH][TFSA]), as a nonvolatile H(+) source, and added it into the solvent aIL. It was found that the gelation time of TetraPEG ion gel can be successfully controlled from 1 min to 3 h depending on the concentration of pIL (cpIL = 0-3 mM). This suggests that the acid-base properties of TetraPEG-NH2 showing acid-base equilibrium (-NH2 + H(+) ⇆ -NH3(+)) in the solutions play a key role in the gelation process. The acid dissociation constants, pKa's of TetraPEG-NH3(+) and C2ImH(+) (cation of pIL) in aIL were directly determined by potentiometric titration to be 16.4 and 13.7, respectively. This indicates that most of the H(+) ions bind to TetraPEG-NH2 and then C2ImH(+) exists as neutral C2Im. The reaction efficiency of amide bond (cross-linked point) systematically decreased with increasing cpIL, which was reflected to the mechanical strength of the ion gels. From these results, we discuss the gelation mechanism of TetraPEG in aIL to point out the relationship between polymer network structure and [H(+)] in the solutions. PMID:25768427

  3. Is the PentaBDE replacement, tris (1,3-dichloro-2-propyl) phosphate (TDCPP), a developmental neurotoxicant? Studies in PC12 cells

    SciTech Connect

    Dishaw, Laura V.; Powers, Christina M.; Ryde, Ian T.; Roberts, Simon C.; Seidler, Frederic J.; Slotkin, Theodore A.; Stapleton, Heather M.

    2011-11-15

    Organophosphate flame retardants (OPFRs) are used as replacements for the commercial PentaBDE mixture that was phased out in 2004. OPFRs are ubiquitous in the environment and detected at high concentrations in residential dust, suggesting widespread human exposure. OPFRs are structurally similar to neurotoxic organophosphate pesticides, raising concerns about exposure and toxicity to humans. This study evaluated the neurotoxicity of tris (1,3-dichloro-2-propyl) phosphate (TDCPP) compared to the organophosphate pesticide, chlorpyrifos (CPF), a known developmental neurotoxicant. We also tested the neurotoxicity of three structurally similar OPFRs, tris (2-chloroethyl) phosphate (TCEP), tris (1-chloropropyl) phosphate (TCPP), and tris (2,3-dibromopropyl) phosphate (TDBPP), and 2,2 Prime ,4,4 Prime -tetrabromodiphenyl ether (BDE-47), a major component of PentaBDE. Using undifferentiated and differentiating PC12 cells, changes in DNA synthesis, oxidative stress, differentiation into dopaminergic or cholinergic neurophenotypes, cell number, cell growth and neurite growth were assessed. TDCPP displayed concentration-dependent neurotoxicity, often with effects equivalent to or greater than equimolar concentrations of CPF. TDCPP inhibited DNA synthesis, and all OPFRs decreased cell number and altered neurodifferentiation. Although TDCPP elevated oxidative stress, there was no adverse effect on cell viability or growth. TDCPP and TDBPP promoted differentiation into both neuronal phenotypes, while TCEP and TCPP promoted only the cholinergic phenotype. BDE-47 had no effect on cell number, cell growth or neurite growth. Our results demonstrate that different OPFRs show divergent effects on neurodifferentiation, suggesting the participation of multiple mechanisms of toxicity. Additionally, these data suggest that OPFRs may affect neurodevelopment with similar or greater potency compared to known and suspected neurotoxicants.

  4. Is the PentaBDE replacement, tris (1,3-dichloro-2-propyl) phosphate (TDCPP), a developmental neurotoxicant? Studies in PC12 cells.

    PubMed

    Dishaw, Laura V; Powers, Christina M; Ryde, Ian T; Roberts, Simon C; Seidler, Frederic J; Slotkin, Theodore A; Stapleton, Heather M

    2011-11-01

    Organophosphate flame retardants (OPFRs) are used as replacements for the commercial PentaBDE mixture that was phased out in 2004. OPFRs are ubiquitous in the environment and detected at high concentrations in residential dust, suggesting widespread human exposure. OPFRs are structurally similar to neurotoxic organophosphate pesticides, raising concerns about exposure and toxicity to humans. This study evaluated the neurotoxicity of tris (1,3-dichloro-2-propyl) phosphate (TDCPP) compared to the organophosphate pesticide, chlorpyrifos (CPF), a known developmental neurotoxicant. We also tested the neurotoxicity of three structurally similar OPFRs, tris (2-chloroethyl) phosphate (TCEP), tris (1-chloropropyl) phosphate (TCPP), and tris (2,3-dibromopropyl) phosphate (TDBPP), and 2,2',4,4'-tetrabromodiphenyl ether (BDE-47), a major component of PentaBDE. Using undifferentiated and differentiating PC12 cells, changes in DNA synthesis, oxidative stress, differentiation into dopaminergic or cholinergic neurophenotypes, cell number, cell growth and neurite growth were assessed. TDCPP displayed concentration-dependent neurotoxicity, often with effects equivalent to or greater than equimolar concentrations of CPF. TDCPP inhibited DNA synthesis, and all OPFRs decreased cell number and altered neurodifferentiation. Although TDCPP elevated oxidative stress, there was no adverse effect on cell viability or growth. TDCPP and TDBPP promoted differentiation into both neuronal phenotypes, while TCEP and TCPP promoted only the cholinergic phenotype. BDE-47 had no effect on cell number, cell growth or neurite growth. Our results demonstrate that different OPFRs show divergent effects on neurodifferentiation, suggesting the participation of multiple mechanisms of toxicity. Additionally, these data suggest that OPFRs may affect neurodevelopment with similar or greater potency compared to known and suspected neurotoxicants. PMID:21255595

  5. Application of tetra-n-methylammonium hydroxide on cellulose dissolution and isolation from sugarcane bagasse.

    PubMed

    Zhong, Chao; Wang, Chunming; Wang, Fengxue; Jia, Honghua; Wei, Ping; Zhao, Yin

    2016-01-20

    Cellulose isolation, a promising way for lignocellulosic biomass utilization, is always restricted by the poor solubility of cellulose. In this paper, tetra-n-methylammonium hydroxide (TMAH) was confirmed to be capable of readily dissolving/regenerating cellulose without chemical modification at room temperature. Meanwhile, cellulose isolation from lignocellulosic biomass by initially dissolving the biomass in TMAH followed by cellulose precipitation was proposed, and the isolated substance with average cellulose purity of 92.1 ± 0.3% could be obtained throughout this process under the optimum conditions: temperature 52 °C, time 60 min, and loading ratio of TMAH/biomass (w/w) 7.2:1. Besides, high efficiency cellulose isolation (i.e. >70% cellulose purity) could be continuously remained during 4-round cycles by using the recycled TMAH solvent without distinct activity loss. PMID:26572437

  6. Bis(1-methyl­piperidinium) tetra­chlorido­cuprate(II)

    PubMed Central

    Reynolds, Bryan J.; Bond, Marcus R.

    2011-01-01

    The structure of the title compound, (C6H14N)2[CuCl4], consists of two inequivalent 1-methyl­piperidinium cations and a flattened tetra­hedral [CuCl4]2− anion. Each organic cation exhibits a chair conformation with the methyl group in the equatorial position. They are segregated into alternating layers parallel to (100) and stacked along [100]. The first cation is arranged in parallel stacks in a herringbone pattern with rows of [CuCl4]2− anions fitting between the stacks and with a Cl− ion directed into the inter­ior of the layer. The second organic cation forms distorted hcp layers that separate the other organic cation/[CuCl4]2− slabs. N—H⋯Cl hydrogen bonding between the cations and the anions consolidates the crystal packing. PMID:21754622

  7. Genotyping single nucleotide polymorphisms in barley by tetra-primer ARMS-PCR.

    PubMed

    Chiapparino, E; Lee, D; Donini, P

    2004-04-01

    Single nucleotide polymorphisms (SNPs) are the most abundant form of DNA polymorphism. These polymorphisms can be used in plants as simple genetic markers for many breeding applications, for population studies, and for germplasm fingerprinting. The great increase in the available DNA sequences in the databases has made it possible to identify SNPs by "database mining", and the single most important factor preventing their widespread use appears to be the genotyping cost. Many genotyping platforms rely on the use of sophisticated, automated equipment coupled to costly chemistry and detection systems. A simple and economical method involving a single PCR is reported here for barley SNP genotyping. Using the tetra-primer ARMS-PCR procedure, we have been able to assay unambiguously five SNPs in a set of 132 varieties of cultivated barley. The results show the reliability of this technique and its potential for use in low- to moderate-throughput situations; the association of agronomically important traits is discussed. PMID:15060595

  8. Correlation between photoluminescence and Fourier transform infrared spectra in tetra-ethyl-ortho-silicate thin films

    NASA Astrophysics Data System (ADS)

    Choi, Won Chel; Kim, Tae Geun; Kim, Jin-Sang

    2006-02-01

    We report strong visible photoluminescence (PL) from thermally treated tetra-ethyl-ortho-silicate (TEOS) thin films at room temperature. High-resolution transmission electron microscope (HRTEM) studies showed that the PL originated from nanocrystalline-Si (nc-Si). HRTEM images showed that as-grown TEOS thin films had quasi-static amorphous (QSA) SiO2 phases instead of the typical amorphous (TA) SiO2 phases, and that they divided into small pieces of nc-Si after thermal treatment. In addition, Fourier transform infrared (FTIR) investigations showed that the QSA-SiO2 phases were composed of three types of bonding modes (i.e., Si-O-Si bending, Si-O bending, and Si-O-Si stretching), which play important roles in the formation of the nc-Si at relatively lower annealing temperatures.

  9. Thermoluminescence mechanism in rare-earth-doped magnesium tetra borate phosphors

    NASA Astrophysics Data System (ADS)

    Annalakshmi, O.; Jose, M. T.; Madhusoodanan, U.; Sridevi, J.; Venkatraman, B.; Amarendra, G.; Mandal, A. B.

    2014-07-01

    Magnesium tetra borate (MTB) doped with rare earths (REs) was prepared by the solid state sintering technique. Among the different RE dopants studied in this phosphor, gadolinium-doped phosphors resulted in a dosimetric peak at a relatively higher temperature. The thermoluminescence (TL) emission spectra of RE-doped MTB showed characteristic RE 3+ emissions. Electron paramagnetic resonance measurements were carried out in these phosphors to identify the defect centers formed during gamma irradiation and to establish a mechanism for the TL process. Signals corresponding to (BO 3)2-, O v- were seen upon irradiation which vanished on annealing at 250 °C, showing the role of these centers in the TL process. The thermal activation energies calculated based on the decay of these signals matched well with those calculated on the basis of the usual conventional method showing the validity of the mechanism of TL.

  10. 4-[4-(1H-Tetra­zol-5-yl)phen­oxy]benzaldehyde

    PubMed Central

    Lu, Jing; Xu, Jiao; Ni, Li-Wei; Ma, Wei-Li; Du, Zhen-Ting

    2011-01-01

    The asymmetric unit of the title compound, C14H10N4O2, contains two independent mol­ecules with similar structures. In one mol­ecule, the tetra­zole ring is oriented at dihedral angles of 17.71 (16) and 57.13 (17)°, respectively, to the central benzene ring and the terminal benzene ring; in the other mol­ecule, the corresponding dihedral angles are 16.46 (18) and 75.87 (18)°. Inter­molecular N—H⋯N hydrogen bonds and weak C—H⋯O and C—H⋯N hydrogen bonds occur in the crystal structure. PMID:22220109

  11. Photophysical and electrochemical properties of a dysprosium-zinc tetra(4-sulfonatophenyl)porphyrin complex.

    PubMed

    Chen, Wen-Tong; Liu, Dong-Sheng; Xu, Ya-Ping; Luo, Qiu-Yan; Pei, Yun-Peng

    2016-02-01

    A dysprosium-zinc porphyrin, [DyZn(TPPS)H3O]n (1) (TPPS = tetra(4-sulfonatophenyl)porphyrin), was prepared through solvothermal reactions and structurally characterized by single-crystal X-ray diffraction analyses. Complex 1 features a three-dimensional (3-D) porous open framework that is thermally stable up to 400 °C. Complex 1 displays a void space of 215 Å(3), occupying 9.2% of the unit cell volume. The fluorescence spectra reveal that it shows an emission band in the red region. The fluorescence lifetime is 39 µsec and the quantum yield is 1.7%. The cyclic voltammetry (CV) measurement revealed one quasi-reversible wave with E1/2  = 0.30 V. PMID:26014749

  12. A Tb-Zn tetra(4-sulfonatophenyl)porphyrin hybrid: Preparation, structure, photophysical and electrochemical properties

    NASA Astrophysics Data System (ADS)

    Chen, Wen-Tong; Hu, Rong-Hua; Wang, Yin-Feng; Zhang, Xian; Liu, Juan

    2014-05-01

    A terbium-zinc porphyrin, i.e. [TbZn(TPPS)H3O]n (1) (TPPS=tetra(4-sulfonatophenyl)porphyrin), has been obtained from a solvothermal reaction and structurally analyzed by single-crystal X-ray diffraction. Compound 1 is characteristic of a condensed three-dimensional (3-D) porous open framework with two types of infinite one-dimensional (1-D) chain-like structure. Compound 1 exhibits a void space of 215 Å3, which is 9.2% of the unit-cell volume. TG/DTA measurement reveals that the framework of compound 1 is thermally stable up to 336 °C. In order to reveal its photophysical and electrochemical properties, we investigated compound 1 in detail with UV-vis spectra, fluorescence, quantum yield, luminescence lifetime, and CV/DPV.

  13. Early Detection of Lung Cancer with Meso Tetra (4-Carboxyphenyl) Porphyrin-Labeled Sputum

    PubMed Central

    Patriquin, Lara; Merrick, Daniel T.; Hill, David; Holcomb, Richard G.; Lemieux, Madeleine E.; Bennett, Gordon; Karia, Bijal; Rebel, Vivienne I.; Bauer, Thomas

    2016-01-01

    Introduction Early detection of lung cancer in high-risk individuals reduces mortality. Low-dose spiral computed tomography (LDCT) is the current standard but suffers from an exceedingly high false-positive rate (>96%) leading to unnecessary and potentially dangerous procedures. We, therefore, set out to develop a simple, noninvasive, and quantitative assay to detect lung cancer. Methods This proof-of-concept study evaluated the sensitivity/specificity of the CyPath Early Lung Cancer Detection Assay to correctly classify LDCT-confirmed cohorts of high-risk control (n = 102) and cancer (n = 26) subjects. Fluorescence intensity parameters of red fluorescent cells (RFCs) from tetra (4-carboxyphe-nyl) porphyrin (TCPP)-labeled lung sputum samples and subjects’ baseline characteristics were assessed for their predictive power by multivariable logistic regression. A receiver operating characteristic curve was constructed to evaluate the sensitivity/specificity of the CyPath assay. Results RFCs were detectable in cancer subjects more often than in high-risk ones (p = 0.015), and their characteristics differed between cohorts. Two independent predictors of cancer were the mean of RFC average fluorescence intensity/area per subject (p < 0.001) and years smoked (p = 0.003). The CyPath-based classifier had an overall accuracy of 81% in the test population; false-positive rate of 40% and negative predictive value of 83%. Conclusions The tetra (4-carboxyphenyl) porphyrin-based CyPath assay correctly classified study participants into cancer or high-risk cohorts with considerable accuracy. Optimizing sputum collection, sample reading, and refining the classifier should improve sensitivity and specificity. The CyPath assay thus has the potential to complement LDCT screening or serve as a stand-alone approach for early lung cancer detection. PMID:26200451

  14. Study on column SPE with synthesized graphene oxide and FAAS for determination of trace amount of Co(II) and Ni(II) ions in real samples.

    PubMed

    Pourjavid, Mohammad Reza; Arabieh, Masoud; Yousefi, Seyed Reza; Jamali, Mohammad Reza; Rezaee, Mohammad; Hosseini, Majid Haji; Sehat, Ali Akbari

    2015-02-01

    A selective method for the preconcentration and separation of trace amounts of Co(II) and Ni(II) by column solid phase extraction has been developed. The method is based on the adsorption of metal ions as N-(5-methyl-2-hydroxyacetophenone)-N'-(2-hydroxyacetophenone) ethylene diamine (MHE) complex on synthesized graphene oxide. Computational modeling based on PM6 semi-empirical potential energy surface was utilized to investigate the interaction of metallic complexes with graphene oxide sheet. The adsorption was achieved quantitatively on graphene oxide at pH6.0 and then the retained analyte contents on the column were quantitatively eluted with 3.0 mol L(-1) HNO3. Experimental conditions for effective separation of trace levels of the analyte ions such as pH, flow rate, concentration of eluent, sample volume and interference ions were investigated. A preconcentration factor of 250 was achieved by passing 1250 mL of sample through the solid phase, while the limit of detection of Co(II) and Ni(II) ions were found to be 0.25 and 0.18 ng mL(-1), respectively. The method was applied to the determination of analyte ions in water, black tea and tomato samples. PMID:25492179

  15. The evolutionary history of the genus Timarcha (Coleoptera, Chrysomelidae) inferred from mitochondrial COII gene and partial 16S rDNA sequences.

    PubMed

    Gómez-Zurita, J; Juan, C; Petitpierre, E

    2000-02-01

    The apterous genus Timarcha consists of three subgenera and more than 100 species in its Palearctic distribution, with specialized feeding on few plant families. Fifty-four sequences sampled from 31 taxa of the genus plus three outgroup leaf beetles were studied for their complete cytochrome oxidase II (COII) and a fragment of 16S rDNA mitochondrial genes, representing a total of about 1200 bp. Phylogenetic analyses using maximum-parsimony and distance methods for each gene separately and for the combined data set gave compatible topologies. The subgenus Metallotimarcha consistently appears in a basal position and is well differentiated from the remaining Timarcha, but no clear monophyletic grouping of Timarchostoma and Timarcha s. str. subgenera can be deduced from our analysis. Calibration of the molecular clock has been done using the opening of the Gibraltar Strait after the Messinian salinity crisis (about 5.5 MYA) as the biogeographic event causing disjunction of two particular taxa. Accordingly, the COII evolutionary rate has been estimated to be of 0.76 x 10(-8) substitution/site/year in Timarcha. Relation between phylogeny and host-plant use indicates widening of trophic regime as a derived character in Timarcha. PMID:10679162

  16. Spectroscopic and fluorescence studies on Mn(II), Co(II), Ni(II) and Cu(II) complexes with NO donor fluorescence dyes.

    PubMed

    Refat, Moamen S; el-Metwaly, Nashwa M

    2011-10-15

    The reactions of the two common dyes [2TMPACT and 4PENI] with Mn(II), Co(II), Ni(II) and Cu(II) ions were done. All the isolated complexes have been characterized by physicochemical and spectroscopic techniques. The IR data reflect the bidentate mode of 2TMPACT towards the mononuclear complex [Mn(II)] even its tetradentate in binuclear complexes [Co(II) and Cu(II)]. However, the bidentate mode is the only behavior of 4PENI ligand towards each metal ion in its mononuclear complexes. The UV-vis spectral analysis beside the magnetic moment measurements are proposed different geometries concerning each metal ions with the two ligands under investigation, as the Mn(II)-2TMPACT complex is an octahedral but Mn(II)-4PENI is a tetrahedral geometry. All the synthesized compounds are thermogravimetrically investigated. The proposed thermal decomposition was discussed for each compound with each step as well as, the kinetic parameters were calculated for all preferrible decomposition steps. The mass spectroscopy tool was used to emphasis on the suitable molecular formula proposed and the fragmentation patterns were displayed. The fluorescence properties of the synthesized ligands and their complexes were studied in DMSO at room temperature. PMID:21763185

  17. DNA cleavage, antibacterial, antifungal and anthelmintic studies of Co(II), Ni(II) and Cu(II) complexes of coumarin Schiff bases: Synthesis and spectral approach

    NASA Astrophysics Data System (ADS)

    Patil, Sangamesh A.; Prabhakara, Chetan T.; Halasangi, Bhimashankar M.; Toragalmath, Shivakumar S.; Badami, Prema S.

    2015-02-01

    The metal complexes of Co(II), Ni(II) and Cu(II) have been synthesized from 6-formyl-7,8-dihydroxy-4-methylcoumarin with o-toluidine/3-aminobenzotrifluoride. The synthesized Schiff bases and their metal complexes were structurally characterized based on IR, 1H NMR, 13C NMR, UV-visible, ESR, magnetic, thermal, fluorescence, mass and ESI-MS studies. The molar conductance values indicate that complexes are non-electrolytic in nature. Elemental analysis reveals ML2·2H2O [M = Co(II), Ni(II) and Cu(II)] stoichiometry, where 'L' stands for a singly deprotonated ligand. The presence of co-ordinated water molecules were confirmed by thermal studies. The spectroscopic studies suggest the octahedral geometry. Redox behavior of the complexes were confirmed by cyclic voltammetry. All the synthesized compounds were screened for their antibacterial (Escherichia coli, Pseudomonas auregenosa, klebsiella, Proteus, Staphylococcus aureus and salmonella) antifungal (Candida, Aspergillus niger and Rhizopus), anthelmintic (Pheretima posthuma) and DNA cleavage (Calf Thymus DNA) activity.

  18. Synthesis, structural characterization, thermal and electrochemical studies of Mn(II), Co(II), Ni(II) and Cu(II) complexes containing thiazolylazo ligands

    NASA Astrophysics Data System (ADS)

    Chavan, S. S.; Sawant, V. A.

    2010-02-01

    Some thiazolylazo derivatives and their metal complexes of the type [M(L)(H 2O)Cl]; M = Mn(II), Co(II), Ni(II), Cu(II) and L = 6-(2'-thiazolylazo)-2-mercapto-quinazolin-4-one (HL 1), 6-(4'-phenyl-2'-thiazolylazo)-2-mercapto-quinazolin-4-one (HL 2), 6-(2'-thiazolylazo)-2-mercapto-3-( m-tolyl)-quinazolin-4-one (HL 3) and 6-(4'-phenyl-2'-thiazolylazo)-2-mercapto-3-( m-tolyl)-quinazolin-4-one (HL 4) have been prepared. All the complexes were characterized on the basis of elemental analysis, molar conductance, magnetic moment, IR, UV-vis, ESR, TG-DTA and powder X-ray diffraction studies. IR spectra of these complexes reveal that the complex formation occurred through thiazole nitrogen, azo nitrogen, imino nitrogen and sulfur atom of the ligands. On the basis of electronic spectral data and magnetic susceptibility measurement octahedral geometry has been proposed for the Mn(II), Co(II) and Ni(II) complexes and distorted octahedral geometry for the Cu(II) complexes. Electrochemical behavior of Ni(II) complexes exhibit quasireversible oxidation corresponding to Ni(III)/Ni(II) couple along with ligand reduction. X-ray diffraction study is used to elucidate the crystal structure of the complexes.

  19. Spectroscopic and fluorescence studies on Mn(II), Co(II), Ni(II) and Cu(II) complexes with NO donor fluorescence dyes

    NASA Astrophysics Data System (ADS)

    Refat, Moamen S.; El-Metwaly, Nashwa M.

    2011-10-01

    The reactions of the two common dyes [2TMPACT and 4PENI] with Mn(II), Co(II), Ni(II) and Cu(II) ions were done. All the isolated complexes have been characterized by physicochemical and spectroscopic techniques. The IR data reflect the bidentate mode of 2TMPACT towards the mononuclear complex [Mn(II)] even its tetradentate in binuclear complexes [Co(II) and Cu(II)]. However, the bidentate mode is the only behavior of 4PENI ligand towards each metal ion in its mononuclear complexes. The UV-vis spectral analysis beside the magnetic moment measurements are proposed different geometries concerning each metal ions with the two ligands under investigation, as the Mn(II)-2TMPACT complex is an octahedral but Mn(II)-4PENI is a tetrahedral geometry. All the synthesized compounds are thermogravimetrically investigated. The proposed thermal decomposition was discussed for each compound with each step as well as, the kinetic parameters were calculated for all preferrible decomposition steps. The mass spectroscopy tool was used to emphasis on the suitable molecular formula proposed and the fragmentation patterns were displayed. The fluorescence properties of the synthesized ligands and their complexes were studied in DMSO at room temperature.

  20. Crystal structure, DFT, spectroscopic and biological activity evaluation of analgin complexes with Co(ii), Ni(ii) and Cu(ii).

    PubMed

    Mansour, Ahmed M

    2014-11-14

    Reaction of analgin (NaL) with Co(ii), Ni(ii) and Cu(ii) salts in ethanol affords complexes of the type [ML2], which were characterized by elemental analysis, FT IR, UV-Vis, EPR, TG/DTA, magnetic susceptibility and conductance measurements. The copper(ii) complex crystallizes in the orthorhombic Pbca space group. Analgin behaves as a mono-negatively tridentate ligand via pyrazolone O, sulfonate O and tertiary amino groups. The interaction of the tertiary nitrogen with M(n+) ions is the main factor which determines the stability of complexes as revealed from natural bond orbital analysis data, where the binding energy of [ML2] decreases with an increase in the bond length of the M-N bond. Time-dependent density functional theory calculations were applied in order to realize the electronic structures and to explain the related experimental observations. The anti-bacterial activity was studied on Staphylococcus aureus and Escherichia coli. Coordination of analgin to Ni(ii) and Cu(ii) leads to a significant increase in its antibacterial activity as compared with the Co(ii) complex. PMID:25231028

  1. N-donor co-ligands driven two new Co(II)- coordination polymers with bi- and trinuclear units: Crystal structures, and magnetic properties

    NASA Astrophysics Data System (ADS)

    Zhou, Zhi-Hang; Han, Min-Le; Wu, Ya-Pan; Dong, Wen-Wen; Li, Dong-Sheng; Lu, Jack Y.

    2016-10-01

    Two new Co(II) coordination polymers(CPs), namely [Co2(bpe)2(Hbppc)]n (1) and [Co3(μ3-OH)(bppc)(bpm)(H2O)]·3H2O (2) (H5bppc=biphenyl-2,4,6,3‧,5‧-pentacarboxylic acid, bpe=1,2-bis(4-pyridyl)ethene, bpm=bis(4-pyridyl)amine), have been obtained and characterized by elemental analysis, single-crystal X-ray diffraction, powder X-ray diffraction (PXRD), IR spectra and thermogravimetric analysis (TGA). 1 shows a binodal (4,6)-connected fsc net with a (44·610·8)(44·62) topology, while 2 shows a binodal (5,7)-connected 3D network based on trinuclear [Co3(μ3-OH)]5+ units with unusual (3.46.52.6)(32.46.57.65.7) topology. Variable-temperature magnetic susceptibility measurements reveals that complex 1 shows ferromagnetic interactions between the adjacent Co(II) ions, whereas 2 is a antiferromagnetic system.

  2. Synthesis, X-ray crystal structure and spectroscopy of a Werner-type host Co(II) complex, trans-bisisothiocyanatotetrakis( trans-4-styrylpyridine)cobalt(II)

    NASA Astrophysics Data System (ADS)

    Karunakaran, C.; Thomas, K. R. J.; Shunmugasundaram, A.; Murugesan, R.

    2000-05-01

    Single crystals of the title Co(II) complex, [Co(stpy) 4(NCS) 2] [stpy= trans-4-styrylpyridine] are prepared and characterized by elemental analysis, IR, and UV-visible spectroscopy and X-ray crystal structure determination. The complex crystallizes in the orthorhombic space group Pna2 1 with unit-cell parameters, a=32.058(3), b=15.362(5), c=9.818(5) Å, and Z=4. The structure consists of discrete monomeric units of [Co(stpy) 4(NCS) 2]. The equatorial positions of the Co(II) polyhedron are occupied by nitrogen atoms of the four stpy ligands and the axial positions are occupied by the nitrogen atoms of the two thiocyanate ions. The unit cell packing reveals interpenetration of styryl groups owing to conformational flexibility of phenyl and pyridyl rings in stpy ligands. Thus, it leads to efficient packing of the crystal lattice leaving no space available for guest inclusion. IR spectra reveal nitrogen coordination from stpy and terminal -NCS coordination of the thiocyanate group. The optical reflectance bands 475, 540 (shoulder) and 1022 nm suggest octahedral geometry in accordance with the X-ray data. However, the optical spectrum of acetonitrile solution shows an intense band at 615 nm and a weak shoulder at 570 nm suggesting participation of the solvent molecules in the coordination sphere. These bands indicate the presence of both tetrahedral and octahedral species in solution.

  3. Tetra-aqua-bis(nicotinamide-κN)cobalt(II) bis-(2-fluoro-benzoate).

    PubMed

    Ozbek, F Elif; Tercan, Barış; Sahin, Ertan; Necefoğlu, Hacali; Hökelek, Tuncer

    2009-01-01

    The title complex, [Co(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(7)H(4)FO(2))(2), contains one Co(II) atom (site symmetry ), two monodentate nicotin-amide (NA) ligands, four coordinated water mol-ecules and two 2-fluoro-benzoate (FB) anions. The four O atoms in the equatorial plane around the Co atom form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl group and the adjacent benzene ring is 29.8 (3)°, while the pyridine and benzene rings are oriented at a dihedral angle of 7.97 (12)°. In the crystal structure, mol-ecules are linked by O-H⋯O, N-H⋯O and N-H⋯F hydrogen bonds, forming an infinite three-dimensional network. π-π Contacts between the pyridine and benzene rings [centroid-centroid distance = 3.673 (3) Å] may further stabilize the crystal structure. PMID:21582108

  4. (2,3,5,6-Tetra­fluoro­phenolato-κO)(5,10,15,20-tetra­phenyl­porphyrinato)iron(III)

    PubMed Central

    Xu, Nan; Powell, Douglas R.; Richter-Addo, George B.

    2013-01-01

    The title compound, [Fe(C44H28N4)(C6HF4O)], is a porphyrin complex with iron(III) in fivefold coordination with a tetra­fluoro­phenolate group as the axial ligand. The Fe atom and the phenolate ligand are disordered across the porphyrin ring with the two phenolates appearing to be roughly related by a center of symmetry. The occupancies of the two phenolate groups refined to 0.788 (3) for the major component and 0.212 (3) for the minor component. The structure shows extraordinary Fe displacements of 0.488 (4) (major) and 0.673 (4) Å (minor) from the 24-atom mean plane of the porphyrin. The Fe—Np distances range from 2.063 (4) to 2.187 (6) Å and the Fe—O distances are 1.903 (5) Å for major component and 1.87 (2) Å for minor component. The four phenyl groups attached to the porphyrin ring form dihedral angles of 63.4 (4), 49.6 (4), 62.4 (4), and 63.3 (4)° (in increasing numerical order) with the three nearest C atoms of the porphyrin ring. The major and minor component phenolate groups form dihedral angles of 24.9 (4)° and 24.8 (4)°, respectively, with the four porphyrin N atoms. The Fe⋯Fe distance between the two iron(III) atoms of adjacent porphyrin mol­ecules is 6.677 (3) Å. No close inter­molecular inter­action was observed. The crystal studied was twinned by inversion, with a major–minor component ratio of 0.53 (3):0.47 (3). PMID:24098188

  5. (η4-Cyclo­octa­tetra­ene)(η8-cyclo­octa­tetra­ene)iodido­tantalum(V)

    PubMed Central

    Verma, Pratik; Sussman, Victor J.; Brennessel, William W.; Ellis, John E.

    2014-01-01

    The title complex, [Ta(η4-C8H8)(η8-C8H8)I], lies across a crystallographic mirror plane that includes the TaV atom and the iodide ligand. One cyclo­octa­tetra­ene (cot) ring is η4-coordinating and is bis­ected by the mirror plane. The fold angle between the plane of the coordinating butadiene portion and the middle plane of the ring is 27.4 (4)°. An additional minor fold angle of 9.3 (7)° exists between the final plane in the ring and the middle plane. The other cot ring is η8-coordinating and is also cut by the mirror plane. In this case, the ring is disordered over the mirror plane, and one position is modeled with appropriate restraints and constraints with respect to distances, angles and displacement parameters (the second position is generated by symmetry). This ring is nearly planar, with an r.m.s. deviation of only 0.05 Å when all eight C atoms are included in the calculation. Pairs of inter­molecular η8-cot rings are parallel stacked and slightly off center, with a centroid–centroid distance of 3.652 Å. No other significant inter­molecular inter­actions are observed. The compound is of inter­est as the first structurally characterized mixed halogen–cot complex of the group 5 metals and contains the longest terminal Ta—I distance [3.0107 (5) Å] reported to date. PMID:25161515

  6. Synthesis and characterization of Co(II), Ni(II), Cu(II) and Zn(II) complexes of tridentate Schiff base derived from vanillin and DL-α-aminobutyric acid

    NASA Astrophysics Data System (ADS)

    Nair, M. Sivasankaran; Joseyphus, R. Selwin

    2008-09-01

    Co(II), Ni(II), Cu(II) and Zn(II) complexes of the Schiff base derived from vanillin and DL-α-aminobutyric acid were synthesized and characterized by elemental analysis, IR, electronic spectra, conductance measurements, magnetic measurements, powder XRD and biological activity. The analytical data show the composition of the metal complex to be [ML(H 2O)], where L is the Schiff base ligand. The conductance data indicate that all the complexes are non-electrolytes. IR results demonstrate the tridentate binding of the Schiff base ligand involving azomethine nitrogen, phenolic oxygen and carboxylato oxygen atoms. The IR data also indicate the coordination of a water molecule with the metal ion in the complex. The electronic spectral measurements show that Co(II) and Ni(II) complexes have tetrahedral geometry, while Cu(II) complex has square planar geometry. The powder XRD studies indicate that Co(II) and Cu(II) complexes are amorphous, whereas Ni(II) and Zn(II) complexes are crystalline in nature. Magnetic measurements show that Co(II), Ni(II) and Cu(II) complexes have paramagnetic behaviour. Antibacterial results indicated that the metal complexes are more active than the ligand.

  7. 40 CFR 721.4040 - Glycols, polyethylene-, 3-sulfo-2-hydroxypropyl-p-(1,1,3,3-tetra-methylbutyl)phenyl ether, sodium...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...-hydroxypropyl-p-(1,1,3,3-tetra-methylbutyl)phenyl ether, sodium salt. 721.4040 Section 721.4040 Protection of...-, 3-sulfo-2-hydroxypropyl-p-(1,1,3,3-tetra-methylbutyl)phenyl ether, sodium salt. (a) Chemical..., polyethylene-, 3-sulfo-2-hydroxypropyl-p-(1,1,3,3-tetramethyl butyl)phenyl ether, sodium salt (P-90-1565)...

  8. 40 CFR 721.4040 - Glycols, polyethylene-, 3-sulfo-2-hydroxypropyl-p-(1,1,3,3-tetra-methylbutyl)phenyl ether, sodium...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...-hydroxypropyl-p-(1,1,3,3-tetra-methylbutyl)phenyl ether, sodium salt. 721.4040 Section 721.4040 Protection of...-, 3-sulfo-2-hydroxypropyl-p-(1,1,3,3-tetra-methylbutyl)phenyl ether, sodium salt. (a) Chemical..., polyethylene-, 3-sulfo-2-hydroxypropyl-p-(1,1,3,3-tetramethyl butyl)phenyl ether, sodium salt (P-90-1565)...

  9. Synthesis, characterization and in vitro antimicrobial studies of Co(II), Ni(II) and Cu(II) complexes derived from macrocyclic compartmental ligand

    NASA Astrophysics Data System (ADS)

    El-Gammal, O. A.; Bekheit, M. M.; El-Brashy, S. A.

    2015-02-01

    New Co(II), Ni(II) and Cu(II) complexes derived from tetradentate macrocyclic nitrogen ligand, (1E,4E,8E,12E)-5,8,13,16-tetramethyl-1,4,9,12-tetrazacyclohexadeca-4,8,12,16-tetraene (EDHDH) have been synthesized. The complexes have been characterized by elemental analysis, spectral (IR, UV-Vis, 1H NMR and ESR (for Cu(II) complex)) mass, and magnetic as well as thermal analysis measurements. The complexes afforded the formulae: [Cu(EDHDH)Cl2]·2EtOH and [M(EDHDH)X2]·nH2O where M = Co(II) and Ni(II), X = Cl- or OH-, n = 1,0, respectively. The data revealed an octahedral arrangement with N4 tetradentate donor sites in addition to two Cl atoms occupying the other two sites. ESR spectrum of Cu2+ complex confirmed the suggested geometry with values of a α2and β2 indicating that the in-plane σ-bonding and in-plane π-bonding are appreciably covalent, and are consistent with very strong σ-in-plane bonding in the complexes. The molecular modeling is drawn and showed the bond length, bond angle, chemical reactivity, energy components (kcal/mol) and binding energy (kcal/mol) for all the title compounds using DFT method. Also, the thermal behavior and the kinetic parameters of degradation were determined using Coats-Redfern and Horowitz-Metzger methods. Moreover, the in vitro antibacterial studies of all compounds screened against pathogenic bacteria (two Gram +ve and two Gram -ve) to assess their inhibiting potential. The assay indicated that the inhibition potential is metal ion dependent. The ligand, EDHDH, Co(II) and Cu(II) complexes exhibited a remarkable antibacterial activity against Streptococcus Pyogenes as Gram +ve and Proteus vulgaris as Gram -ve bacterial strains. On the other hand, Ni(II) complex revealed a moderate antibacterial activity against both Gram +ve organisms and no activity against Gram -ve bacterial strain.

  10. Tetra Primer ARMS PCR Optimization to Detect Single Nucleotide Polymorphisms of the CYP2E1 Gene.

    PubMed

    Suhda, Saihas; Paramita, Dewi Kartikawati; Fachiroh, Jajah

    2016-01-01

    Single nucleotide polymorphism (SNP) detection has been used extensively for genetic association studies of diseases including cancer. For mass, yet accurate and more economic SNP detection we have optimized tetra primer amplification refractory mutation system polymerase chain reaction (ARMS PCR) to detect three SNPs in the cytochrome P450 2E1 (CYP2E1) gene locus; i.e. rs3813865, rs2070672 and rs3813867. The optimization system strategies used were (1) designing inner and outer primers; (2) determining of their optimum primer concentration ratios; and (3) determining of the optimum PCR annealing temperature. The tetra primer ARMS PCR result could be directly observed using agarose gel electrophoresis. The method succesfully determined three SNPs in CYP2E1 locus, the results being consistent with validation using DNA sequencing and restriction fragment length polymorphisms (RFLP). PMID:27509930

  11. Crystal structure of catena-poly[[tetra-aqua-magnesium]-μ-(di-hydrogen hypodiphosphato)-κ(2) O:O'].

    PubMed

    Gjikaj, Mimoza; Haase, Madeline

    2015-07-01

    The crystal structure of the title compound, [Mg(H2P2O6)(H2O)4] n , is built up from (H2P2O6)(2-) anions bridging Mg(2+) cations into chains extending parallel to [011]. The Mg(2+) ion is located on an inversion centre and is octa-hedrally coordinated by the O atoms of two (H2P2O6)(2-) anions and four water mol-ecules. The centrosymmetric (H2P2O6)(2-) anion has a staggered conformation whereby the tetra-valent phospho-rus atom is surrounded tetra-hedrally by three O atoms and by one symmetry-related P atom. A three-dimensional O-H⋯O hydrogen-bonded network of medium strength involving the P-OH group of the anion and the water mol-ecules is present. PMID:26279888

  12. Crystal structure of bis­(quinolin-1-ium) tetra­chlorido­ferrate(III) chloride

    PubMed Central

    Boudjarda, Azzedine; Bouchouit, Karim; Arroudj, Samiha; Bouacida, Sofiane; Merazig, Hocine

    2015-01-01

    The asymmetric unit of the title hybrid compound, (C9H8N)[FeCl4]Cl, comprises a tetra­hedral tetra­chlorido­ferrate(III) anion, [FeCl4]−, a Cl− anion and two quinolinium cations. There are N—H⋯Cl hydrogen-bonding inter­actions between the protonated N atoms of the quinolinium cations and the chloride anion, which together with π–π stacking between adjacent quinolinium rings [centroid-to-centroid distances between C6 and C5N rings in adjacent stacked quinolinium cations of 3.609 (2) and 3.802 (2) Å] serve to hold the structure together. PMID:26870461

  13. Two types of novel tetra-iron substituted sandwich-type arsenotungastates with supporting lanthanide pendants.

    PubMed

    Chen, Lijuan; Zhang, Fang; Ma, Xing; Luo, Jie; Zhao, Junwei

    2015-07-28

    Two classes of novel tetra-iron substituted sandwich-type arsenotungastates (ATs) with supporting lanthanide (Ln) pendants KNa2 [Ln(H2O)7][Fe4(H2O)10(B-β-AsW9O33)2]·21H2O [Ln = La(III) (1), Pr(III) (2), Nd(III) ()3, Sm(III) (4)] and [Ln(H2O)8]2[Fe4(H2O)8(l-thr)2(B-β-AsW9O33)2]·20H2O [Ln = La(III) (5), Pr(III) ()6, Nd(III) (7), Sm(III) (8), Eu(III) (9), Gd(III) (10), Tb(III) (11), Dy(III) (12), Er(III) (13)] (l-thr = l-threonine) have been synthesized by the hydrothermal reaction of the [As2W19O67(H2O)](14-) precursor with Fe(3+) cations and Ln(3+) cations in the presence of l-thr or l-leucine and l-alanine, and further characterized by elemental analyses, IR spectra and single-crystal X-ray diffraction. Structural analyses indicate that 1-4 display the inorganic 2-D sheet architecture constructed from tetra-iron sandwiched AT [Fe4(H2O)10(B-β-AsW9O33)2](6-) fragments by bridging [Ln(H2O)7](3+) cations whereas the molecular structures of the isostructural 5-13 consist of an organic-inorganic hybrid tetra-iron substituted sandwich-type AT [Fe4(H2O)8(l-thr)2(B-β-AsW9O33)2](6-) fragment and two pendant [Ln(H2O)8](3+) cations. As far as we know, 1-4 represent the rare inorganic 2-D extended ATs based on transition-metal substituted sandwich-type polyoxometalate units and Ln linkers and 5-13 are the first Fe-Ln heterometallic ATs with amino acid ligands. The solid state photoluminescence (PL) measurements of 9 and 11 have been performed at room temperature. The PL emission of 9 is mainly derived from the characteristic (5)D0 → (7)F2 (J = 4-0) transitions of the Eu(III) cations whereas the PL behavior of 11 stems from the common contribution of the (5)D4 → (7)FJ (J = 5-3) transitions of the Tb(III) ions and oxygen-to-metal (O → W) charge-transfer transitions of AT segments. The thermogravimetric (TG) analyses of 1-4 and 6-12 have been investigated. PMID:26066321

  14. Unidirectional growth of <0 0 1> tetra glycine barium chloride (TGBC) single crystal by Sankaranarayanan-Ramasamy method

    NASA Astrophysics Data System (ADS)

    Senthil Pandian, M.; Ramasamy, P.

    2009-01-01

    <0 0 1> oriented tetra glycine barium chloride (TGBC) crystal of diameter 40 mm and length 120 mm was grown. The growth conditions have been optimized. The conventional and SR method grown TGBC crystals were characterized using UV-Vis analysis and etching studies. The variation of dielectric constant and dielectric loss in the frequency range of 100 Hz-1 MHz is studied at different temperatures. The mechanical strength of SR grown TGBC crystal was tested by Vicker's hardness tester.

  15. Preparation and use of tetra-alkyl cobalt dicarbollide for extraction of cesium and strontium into hydrocarbon solvents

    DOEpatents

    Miller, R.L.; Pinkerton, A.B.; Abney, K.D.; Kinkead, S.A.

    1997-02-11

    Preparation and use of tetra-C-alkyl cobalt dicarbollide for extraction of cesium and strontium into hydrocarbon solvents. Tetra-C-alkyl derivatives of cobalt dicarbollide, Co(C{sub 2}R{sub 2}B{sub 9}H{sub 9}){sub 2}{sup {minus}}(CoB{sub 2}R{sub 4}{sup {minus}}; R=CH{sub 3} and C{sub 6}H{sub 13}) are demonstrated to be significant cesium and strontium extractants from acidic and alkaline solutions into non-toxic organic solvent systems. Extractions using mesitylene and diethylbenzene are compared to those with nitrobenzene as the organic phase. CoB{sub 2}-hexyl{sub 4}{sup {minus}} in diethylbenzene shows improved selectivity (10{sup 4}) for Cs over Na in acidic solution. In dilute alkaline solution, CoB{sub 2}-hexyl{sub 4}{sup {minus}} extracts Cs less efficiently, but more effectively removes Sr from higher base concentrations. A general synthesis of tetra-C-alkyl cobalt dicarbollides is described. 6 figs.

  16. Preparation and use of tetra-alkyl cobalt dicarbollide for extraction of cesium and strontium into hydrocarbon solvents

    DOEpatents

    Miller, Rebecca L.; Pinkerton, Anthony B.; Abney, Kent D.; Kinkead, Scott A.

    1997-01-01

    Preparation and use of tetra-C-alkyl cobalt dicarbollide for extraction of cesium and strontium into hydrocarbon solvents. Tetra-C-alkyl derivatives of cobalt dicarbollide, Co(C.sub.2 R.sub.2 B.sub.9 H.sub.9).sub.2.sup.- (CoB.sub.2 R.sub.4.sup.- ; R=CH.sub.3 and C.sub.6 H.sub.13) are demonstrated to be significant cesium and strontium extractants from acidic and alkaline solutions into non-toxic organic solvent systems. Extractions using mesitylene and diethylbenzene are compared to those with nitrobenzene as the organic phase. CoB.sub.2 -hexyl.sub.4.sup.- in diethylbenzene shows improved selectivity (10.sup.4) for Cs over Na in acidic solution. In dilute alkaline solution, CoB.sub.2 -hexyl.sub.4.sup.- extracts Cs less efficiently, but more effectively removes Sr from higher base concentrations. A general synthesis of tetra-C-alkyl cobalt dicarbollides is described.

  17. Synthesis and library construction of privileged tetra-substituted Δ5-2-oxopiperazine as β-turn structure mimetics.

    PubMed

    Kim, Jonghoon; Lee, Won Seok; Koo, Jaeyoung; Lee, Jeongae; Park, Seung Bum

    2014-01-13

    In this study, we developed an efficient and practical procedure for the synthesis of tetra-substituted Δ5-2-oxopiperazine that mimics the bioactive β-turn structural motif of proteins. This synthetic route is robust and modular enough to accommodate four different substituents to obtain a high level of molecular diversity without any deterioration in stereochemical enrichment of the natural and unnatural amino acids. Through the in silico studies, including a distance calculation of side chains and a conformational overlapping of our model compound with a native β-turn structure, we successfully demonstrated the conformational similarity of tetra-substituted Δ5-2-oxopiperazine to the β-turn motif. For the library construction in a high-throughput manner, the fluorous tag technology was adopted with the use of a solution-phase parallel synthesis platform. A 140-membered pilot library of tetra-substituted Δ5-2-oxopiperazines was achieved with an average purity of 90% without further purification. PMID:24215277

  18. Digital recovery, modification, and analysis of Tetra Tech seismic horizon mapping, National Petroleum Reserve Alaska (NPRA), northern Alaska

    USGS Publications Warehouse

    Saltus, R.W.; Kulander, Christopher S.; Potter, Christopher J.

    2002-01-01

    We have digitized, modified, and analyzed seismic interpretation maps of 12 subsurface stratigraphic horizons spanning portions of the National Petroleum Reserve in Alaska (NPRA). These original maps were prepared by Tetra Tech, Inc., based on about 15,000 miles of seismic data collected from 1974 to 1981. We have also digitized interpreted faults and seismic velocities from Tetra Tech maps. The seismic surfaces were digitized as two-way travel time horizons and converted to depth using Tetra Tech seismic velocities. The depth surfaces were then modified by long-wavelength corrections based on recent USGS seismic re-interpretation along regional seismic lines. We have developed and executed an algorithm to identify and calculate statistics on the area, volume, height, and depth of closed structures based on these seismic horizons. These closure statistics are tabulated and have been used as input to oil and gas assessment calculations for the region. Directories accompanying this report contain basic digitized data, processed data, maps, tabulations of closure statistics, and software relating to this project.

  19. Structural, spectroscopic and redox properties of a mononuclear Co(II) thiolate complex--the reactivity toward S-alkylation: an experimental and theoretical study.

    PubMed

    Gennari, Marcello; Gerey, Bertrand; Hall, Nikita; Pécaut, Jacques; Vezin, Hervé; Collomb, Marie-Noëlle; Orio, Maylis; Duboc, Carole

    2012-10-28

    The structural, spectroscopic, redox properties and also the reactivity toward S-alkylation of a new mononuclear N2S2 dithiolate Co(II) complex [CoL] (1), with H(2)L = 2,2'-(2,2'-bipyridine-6,6'-diyl)bis(1,1-diphenylethanethiol), have been investigated. The X-ray structure of 1 has revealed an unusual distorted square planar geometry for a Co(II) ion within a thiolate environment. The X-band EPR spectrum of displays a rhombic S = 1/2 signal consistent with a low spin configuration for the d(7) Co(II) ion with a large g-anisotropy (g(x) = 2.94, g(y) = 2.32 and g(z) = 2.01). By pulsed EPR experiments (HYSCORE), two weak hyperfine couplings (hfc) of 3.2 and 2.2 MHz have been measured and attributed respectively to protons and nitrogen nuclei of the bipyridine unit. In addition, another hyperfine coupling (hfc) of 7.5 MHz has been attributed to the cobalt ion. DFT calculations have successfully reproduced the (59)Co and (14)N hfc parameters. However, multiconfigurational ab initio calculations were required to predict the g-tensor of 1. The cyclic voltammogram (CV) displays two one-electron metal based processes: a quasi-reversible Co(III)/Co(II) oxidation wave at E(1/2) = -0.5 V vs. Fc(+)/Fc and a quasi-reversible Co(II)/Co(I) reduction wave at E(1/2) = -1.7 V. 1 reacts with CH(3)I, generating the mono S-methylated complex, [CoL(Me)I] (1(Me)). The X-band EPR spectrum of 1(Me) displays a typical signal of a high spin (S = 3/2) Co(II) species. An optimized structure of 1(Me), calculated by DFT, is consistent with its EPR and UV-visible spectra. Time dependent density functional theory (TD-DFT) calculations attribute the most prominent features observed in the electronic absorption spectra of 1 and 1(Me). The singly occupied MO (SOMO) of 1 shows a notable delocalization of the unpaired electron over the metal (85%) and the ligand, especially over the sulphur atoms (10.5%), indicating a certain degree of covalency for the Co-S bonds. In 1(Me), for two of the three SOMOs

  20. Synthesis, spectral characterization and catalytic activity of Co(II) complexes of drugs: Crystal structure of Co(II)-trimethoprim complex

    NASA Astrophysics Data System (ADS)

    Madhupriya, Selvaraj; Elango, Kuppanagounder P.

    2014-01-01

    New Co(II) complexes with drugs such as trimethoprim (TMP), cimetidine (CTD), niacinamide (NAM) and ofloxacin (OFL) as ligands were synthesized. The complexes were characterized by analytical analysis, various spectral techniques such as FT-IR, UV-Vis, magnetic measurements and molar conductivity. The magnetic susceptibility results coupled with the electronic spectra suggested a tetrahedral geometry for the complexes. The coordination mode of trimethoprim ligand and geometry of the complex were confirmed by single crystal X-ray studies. In this complex the metal ion possesses a tetrahedral geometry with two nitrogen atom from two TMP ligands and two chloride ions coordinated to it. The catalytic activity of the complexes in aryl-aryl coupling reaction was screened and the results indicated that among the four complexes [Co(OFL)Cl(H2O)] exhibited excellent catalytic activity.

  1. Synthesis, characterization, in vitro antimicrobial and DNA cleavage studies of Co(II), Ni(II) and Cu(II) complexes with ONOO donor coumarin Schiff bases

    NASA Astrophysics Data System (ADS)

    Patil, Sangamesh A.; Unki, Shrishila N.; Kulkarni, Ajaykumar D.; Naik, Vinod H.; Badami, Prema S.

    2011-01-01

    A series of Co(II), Ni(II) and Cu(II) complexes have been synthesized with Schiff bases derived from 2-hydroxy-1-naphthaldehyde and 2-oxo-2H-chromene-3-carbohydrazide/6-bromo-2-oxo-2H-chromene-3-carbohydrazide. The chelation of the complexes has been proposed in the light of analytical, spectral (IR, UV-Vis, 1H NMR, ESR, FAB-mass and fluorescence), magnetic and thermal studies. The measured molar conductance values indicate that, the complexes are non-electrolytic in nature. The redox behavior of the complexes was investigated with electrochemical method by using cyclic voltammetry. The Schiff bases and their metal complexes have been screened for their in vitro antibacterial ( Escherichia coli, Staphylococcus aureus, Bacillus subtilis and Salmonella typhi) and antifungal activities ( Candida albicans, Cladosporium and Aspergillus niger) by MIC method. The DNA cleavage is studied by agarose gel electrophoresis method.

  2. Synthesis, characterization, equilibrium study and biological activity of Cu(II), Ni(II) and Co(II) complexes of polydentate Schiff base ligand

    NASA Astrophysics Data System (ADS)

    El-Sherif, Ahmed A.; Shehata, Mohamed R.; Shoukry, Mohamed M.; Barakat, Mohammad H.

    2012-10-01

    Schiff base ligand, 1,4-bis[(2-hydroxybenzaldehyde)propyl]piperazine (BHPP), and its Cu(II), Ni(II) and Co(II) metal complexes were synthesized and characterized by elemental analysis, magnetic susceptibility, molar conductance and spectral (IR and UV-vis) studies. The ground state of BHPP ligand was investigated using the BUILDER module of MOE. Metal complexes are formed in the 1:1 (M:L) ratio as found from the elemental analysis and found to have the general formula [ML]·nH2O, where M = Co(II), Ni(II) and Cu(II), L = BHPP. In all the studied complexes, the (BHPP) ligand behaves as a hexadentate divalent anion with coordination involving the two azomethine nitrogen's, the two nitrogen atoms of piperazine ring and the two deprotonated phenolic OH-groups. The magnetic and spectral data indicates octahedral geometry of metal(II) complexes. The ligand and their metal chelates have been screened for their antimicrobial activities using the disc diffusion method against the selected bacteria and fungi. They were found to be more active against Gram-positive than Gram-negative bacteria. Protonation constants of (BHPP) ligand and stability constants of its Cu2+, Co2+ and Ni2+ complexes were determined by potentiometric titration method in 50% DMSO-water solution at ionic strength of 0.1 M sodium nitrate. It has been observed that the protonated Schiff base ligand (BHPP) have four protonation constants. The divalent metal ions Cu2+, Ni2+ and Co2+ form 1:1 complexes.

  3. Spectroscopic and biological approach of Ni(II), Cu(II) and Co(II) complexes of 4-methoxy/ethoxybenzaldehyde thiosemicarbazone glyoxime.

    PubMed

    Babahan, Ilknur; Eyduran, Fatih; Coban, Esin Poyrazoglu; Orhan, Nil; Kazar, Didem; Biyik, Halil

    2014-01-01

    Two novel vicinal dioxime ligands containing (4-methoxybenzaldehyde thiosemicarbazone glyoxime (L(1)H2) or 4-ethoxybenzaldehyde thiosemicarbazone glyoxime (L(2)H2)) thiosemicarbazone units were synthesized and characterized using (1)H NMR, (13)C NMR, HMQC, MS, infrared and, UV-VIS. spectroscopy, elemental analysis, and magnetic susceptibility measurements. Mononuclear nickel(II), copper(II) and cobalt(II) complexes with a metal:ligand ratio of 1:2 for L(1)H2 and L(2)H2 were also synthesized. The effect of pH and solvent on the absorption spectra of both ligands and complexes was determined. IR spectra show that the ligands act in a bidentate manner and coordinates N4 donor groups of the ligands to Ni(II), Cu(II) and Co(II) ions. The detection of H-bonding (O-H⋯O) in the [M(LH)2] metal complexes by IR spectra supported the square-planar MN4 coordination of mononuclear complexes. The antimicrobial activities of compounds L(1)H2, L(2)H2, and their Ni(II), Cu(II) and Co(II) complexes were evaluated using the disc diffusion method against 12 bacteria and 4 yeasts. The minimal inhibitory concentrations (MICs) against 7 bacteria and 3 yeasts were also determined. Among the test compounds attempted, L(1)H2, [Ni(L1H)2], [Cu(L1H)2], L2H2, [Ni(L2H)2] and [Cu(L2H)2] showed some activities against certain Gram-positive bacteria and some of the yeasts tested. PMID:24239764

  4. Magneto-optical spectroscopic studies of solid and solution-phase tetra-phenyl porphyrin

    NASA Astrophysics Data System (ADS)

    Wahlen-Strothman, Jacob; Pan, Zhen Wen; Manning, Lane; Furis, Madalina; Chu, Kelvin

    2011-03-01

    Tetraphenylporphyrin (TPP) is a synthetic heterocyclic compound that serves as a model system for heme proteins and cytochromes. TPP can accomodate a metal ion in the center; D-shell ion porphyrin complexes with a crystalline solid phase are of interest for magnetic studies because of the possibility of macroscopic long range magnetic order of the ion spins. We have investigated the 5K magnetic properties of poly-crystalline thin films of the heme protoporphyrin IX analogue tetra-phenyl porphyrin, complexed with Zn and Mn, deposited through a capillary pen technique that produces 100um to 1 mm sized grains. Our novel experimental setup measures the UV/VIS, linear dichroism and magnetic circular dichorism simultaneously, incorporates a photoelastic modulator and a microscopy superconducting magnet for high-field (5T) measurements. We present solution and crystalline data on metal-complexed TPP; data are analyzed in terms of A and B-type MCD using a perimeter model. We find good agreement with previous solution data, and novel crystalline phase spectra that are correlated to the long range ordering. This work supported by NSF DMR-0821268, DUE-0942562 and EPS-0701410.

  5. Tetra-n-propylporphycene as a tumour localizer: pharmacokinetic and phototherapeutic studies in mice.

    PubMed

    Guardiano, M; Biolo, R; Jori, G; Schaffner, K

    1989-01-01

    The porphin isomer tetra-n-propyl-porphycene (TPP) was incorporated into unilamellar liposomes of dipalmitoylphosphatidylcholine and intravenously injected at a dose of 2 mg/kg to BALB/c mice bearing a MS-2 fibrosarcoma. Pharmacokinetic studies show that TPP is selectively transported by serum lipoproteins and delivered to the tumour tissue with good efficiency (approx. 1 microgram of the TPP per g of tissue at 24 h after injection) and selectivity (ratio of TPP concentration in the tumour to the peritumoural tissue 16.7 at 24 h). Large doses of TPP are also accumulated by the liver, in agreement with the elimination of the drug via the biliary route, while no TPP is recovered from the brain. Red light-irradiation (300 J/cm2) of the tumour area caused extensive necrosis, while only little cutaneous photosensitivity was observed. Since TPP has a large absorbance in the 630-640 nm region, can be synthesized with a high degree of purity and is an efficient generator of singlet oxygen, this drug represents a potential candidate as a phototherapeutic agent for tumours. PMID:2917338

  6. Reversible Piezofluorochromic Property and Intrinsic Structure Changes of Tetra(4-methoxyphenyl)ethylene under High Pressure.

    PubMed

    Wu, Jinxia; Tang, Jia; Wang, Hailong; Qi, Qingkai; Fang, Xiaofeng; Liu, Yifei; Xu, Shuping; Zhang, Sean Xiao-An; Zhang, Houyu; Xu, Weiqing

    2015-09-01

    During the past decade, luminescent mechanochromism has received much attention. Despite the garnered attention, only a few studies have reported the effect of internal molecular structure change on the performance of mechanochromic fluorescence. Here, we chose tetra(4-methoxyphenyl)ethylene (TMOE) as a model molecule to study the correlation between structure and fluorescence property under a hydrostatic pressure produced by a diamond anvil cell (DAC). TMOE is a methoxy-substituted tetraphenylethylene (TPE) derivative and has a nearly centrosymmetric structure and a natural propeller shape. Ultraviolet-visible absorption and fluorescence spectra of TMOE and TPE in solution proved that the presence of methoxy groups in TMOE is responsible for the difference in fluorescence emissions of TMOE and TPE. Under a hydrostatic pressure, the in situ fluorescence spectra of TMOE at different concentrations show that the fluorescence intensity gradually weakens, accompanied by an obvious redshift. The Raman peak intensities decrease gradually, and the peaks disappear eventually with the pressure increasing. These spectral changes are attributed to the changes in the intramolecular conformation, that is, the strengthening of the weak C-H···O hydrogen bonds in TMOE molecules, which is caused by the twisted dihedral angle between the benzene ring and the carbon rigid plane of ethylene. Density functional theory simulation further confirms that the decreased dihedral angle could weaken Raman peak intensity, which is consistent with our experimental results. PMID:26262432

  7. DNA Barcodes of Rosy Tetras and Allied Species (Characiformes: Characidae: Hyphessobrycon) from the Brazilian Amazon Basin

    PubMed Central

    Castro Paz, Francis Paola; Batista, Jacqueline da Silva; Porto, Jorge Ivan Rebelo

    2014-01-01

    DNA barcoding can be an effective tool for fast and accurate species-level identification based on sequencing of the mitochondrial cytochrome c oxidase subunit (COI) gene. The diversity of this fragment can be used to estimate the richness of the respective species. In this study, we explored the use of DNA barcoding in a group of ornamental freshwater fish of the genus Hyphessobrycon. We sequenced the COI from 10 species of Hyphessobrycon belonging to the “Rosy Tetra Clade” collected from the Amazon and Negro River basins and combined our results with published data. The average conspecific and congeneric Kimura 2-parameter distances were 2.3% and 19.3%, respectively. Six of the 10 species were easily distinguishable by DNA barcoding (H. bentosi, H. copelandi, H. eques, H. epicharis, H. pulchrippinis, and H. sweglesi), whereas the remaining species (H. erythrostigma, H. pyrrhonotus, H. rosaceus and H. socolofi) lacked reciprocal monophyly. Although the COI gene was not fully diagnostic, the discovery of distinct evolutionary units in certain Hyphessobrycon species under the same specific epithet as well as haplotype sharing between different species suggest that DNA barcoding is useful for species identification in this speciose genus. PMID:24878569

  8. Surface Plasmon Resonance Sensor Based on Ethylene Tetra-Fluoro-Ethylene Hollow Fiber

    PubMed Central

    Chen, Pan; He, Yu-Jing; Zhu, Xiao-Song; Shi, Yi-Wei

    2015-01-01

    A new kind of hollow fiber surface plasmon resonance sensor (HF-SPRS) based on the silver-coated ethylene tetra-fluoro-ethylene (ETFE) hollow fiber (HF) is presented. The ETFE HF-SPRS is fabricated, and its performance is investigated experimentally by measuring the transmission spectra of the sensor when filled by liquid sensed media with different refractive indices (RIs). Theoretical analysis based on the ray transmission model is also taken to evaluate the sensor. Because the RI of ETFE is much lower than that of fused silica (FSG), the ETFE HF-SPRS can extend the lower limit of the detection range of the early reported FSG HF-SPRS from 1.5 to 1.42 approximately. This could greatly enhance the application potential of HF-SPRS. Moreover, the joint use of both ETFE and FSG HF-SPRSs can cover a wide detection range from 1.42 to 1.69 approximately with high sensitivities larger than 1000 nm/RIU. PMID:26540062

  9. A Tetra(Ethylene Glycol) Derivative of Benzothiazole Aniline Enhances Ras-Mediated Spinogenesis

    PubMed Central

    Megill, Andrea; Lee, Taehee; DiBattista, Amanda Marie; Song, Jung Min; Spitzer, Matthew H.; Rubinshtein, Mark; Habib, Lila K.; Capule, Christina C.; Mayer, Michael; Turner, R. Scott; Kirkwood, Alfredo; Yang, Jerry; Pak, Daniel T. S.; Lee, Hey-Kyoung

    2013-01-01

    The tetra(ethylene glycol) derivative of benzothiazole aniline, BTA-EG4, is a novel amyloid-binding small molecule that can penetrate the blood–brain barrier and protect cells from Aβ-induced toxicity. However, the effects of Aβ-targeting molecules on other cellular processes, including those that modulate synaptic plasticity, remain unknown. We report here that BTA-EG4 decreases Aβ levels, alters cell surface expression of amyloid precursor protein (APP), and improves memory in wild-type mice. Interestingly, the BTA-EG4-mediated behavioral improvement is not correlated with LTP, but with increased spinogenesis. The higher dendritic spine density reflects an increase in the number of functional synapses as determined by increased miniature EPSC (mEPSC) frequency without changes in presynaptic parameters or postsynaptic mEPSC amplitude. Additionally, BTA-EG4 requires APP to regulate dendritic spine density through a Ras signaling-dependent mechanism. Thus, BTA-EG4 may provide broad therapeutic benefits for improving neuronal and cognitive function, and may have implications in neurodegenerative disease therapy. PMID:23719799

  10. TETRA observation of gamma-rays at ground level associated with nearby thunderstorms

    PubMed Central

    Ringuette, Rebecca; Case, Gary L; Cherry, Michael L; Granger, Douglas; Guzik, T Gregory; Stewart, Michael; Wefel, John P

    2013-01-01

    [1] Terrestrial gamma-ray flashes (TGFs)—very short, intense bursts of electrons, positrons, and energetic photons originating from terrestrial thunderstorms—have been detected with satellite instruments. TGF and Energetic Thunderstorm Rooftop Array (TETRA), an array of NaI(Tl) scintillators at Louisiana State University, has now been used to detect similar bursts of 50 keV to over 2 MeV gamma-rays at ground level. After 2.6 years of observation, 24 events with durations 0.02–4.2 ms have been detected associated with nearby lightning, three of them coincident events observed by detectors separated by ∼1000 m. Nine of the events occurred within 6 ms and 5 km of negative polarity cloud-to-ground lightning strokes with measured currents in excess of 20 kA. The events reported here constitute the first catalog of TGFs observed at ground level in close proximity to the acceleration site. PMID:26167428

  11. A Tb–Zn tetra(4-sulfonatophenyl)porphyrin hybrid: Preparation, structure, photophysical and electrochemical properties

    SciTech Connect

    Chen, Wen-Tong; Hu, Rong-Hua; Wang, Yin-Feng; Zhang, Xian; Liu, Juan

    2014-05-01

    A terbium-zinc porphyrin, i.e. [TbZn(TPPS)H{sub 3}O]{sub n} (1) (TPPS=tetra(4-sulfonatophenyl)porphyrin), has been obtained from a solvothermal reaction and structurally analyzed by single-crystal X-ray diffraction. Compound 1 is characteristic of a condensed three-dimensional (3-D) porous open framework with two types of infinite one-dimensional (1-D) chain-like structure. Compound 1 exhibits a void space of 215 Å{sup 3}, which is 9.2% of the unit-cell volume. TG/DTA measurement reveals that the framework of compound 1 is thermally stable up to 336 °C. In order to reveal its photophysical and electrochemical properties, we investigated compound 1 in detail with UV–vis spectra, fluorescence, quantum yield, luminescence lifetime, and CV/DPV. - Graphical abstract: A terbium–zinc porphyrin [TbZn(TPPS)H{sub 3}O]{sub n} has been obtained from a solvothermal reaction. It features a condensed 3-D porous open framework. It shows good thermal stability. - Highlights: • This paper reports a novel terbium–zinc porphyrin. • It features a novel condensed three-dimensional porous open framework. • The title compound is thermally stable up to 336 °C. • It is studied by UV–vis, fluorescence, quantum yield, lifetime, and CV/DPV.

  12. An oxalate selective electrode based on modified PVC-membrane with tetra-butylammonium--Clinoptilolite nanoparticles.

    PubMed

    Hoseini, Zohre; Nezamzadeh-Ejhieh, Alireza

    2016-03-01

    A modified PVC-membrane electrode with tetra-butylammonium bromide - Clinoptilolite nano-particles (TBA-NCP) showed good Nernstian slope (29.9±0.6 mV per decade of oxalate concentration) in concentration range of 3.1×10(-7)-8.3×10(-1) mol L(-1) with a detection limit of 1.5×10(-7) mol L(-1). The best performance was obtained with a membrane composition of 31.5% PVC, 62.5% DOP and 6% TBA-NCP in the temperature range of 20-35 °C and the pH range of 4-9. The fast response time and good reproducibility over a period of 3 months are other characteristics of the sensor. The proposed electrode was successfully used as an indicator electrode in titration of oxalate ions with CaCl2 solution. The proposed electrode was also used in direct potentiometric determination of oxalate in many real samples such as: mushroom, black and green tea, spinach and beet. PMID:26706514

  13. Surface Plasmon Resonance Sensor Based on Ethylene Tetra-Fluoro-Ethylene Hollow Fiber.

    PubMed

    Chen, Pan; He, Yu-Jing; Zhu, Xiao-Song; Shi, Yi-Wei

    2015-01-01

    A new kind of hollow fiber surface plasmon resonance sensor (HF-SPRS) based on the silver-coated ethylene tetra-fluoro-ethylene (ETFE) hollow fiber (HF) is presented. The ETFE HF-SPRS is fabricated, and its performance is investigated experimentally by measuring the transmission spectra of the sensor when filled by liquid sensed media with different refractive indices (RIs). Theoretical analysis based on the ray transmission model is also taken to evaluate the sensor. Because the RI of ETFE is much lower than that of fused silica (FSG), the ETFE HF-SPRS can extend the lower limit of the detection range of the early reported FSG HF-SPRS from 1.5 to 1.42 approximately. This could greatly enhance the application potential of HF-SPRS. Moreover, the joint use of both ETFE and FSG HF-SPRSs can cover a wide detection range from 1.42 to 1.69 approximately with high sensitivities larger than 1000 nm/RIU. PMID:26540062

  14. Variability in microbial carbon isotope fractionation of tetra- and trichloroethene upon reductive dechlorination.

    PubMed

    Cichocka, Danuta; Imfeld, Gwenaël; Richnow, Hans-Hermann; Nijenhuis, Ivonne

    2008-03-01

    The variability of stable carbon isotope fractionation upon reductive dechlorination of tetra- and trichloroethene by several microbial strains was investigated to examine the uncertainties related to the in situ application of compound specific isotope analysis (CSIA) of chlorinated ethenes. Carbon isotope fractionation was investigated with a set of microorganisms representative for the currently known diversity of dehalorespirers: Dehalococcoides ethenogenes strain 195, Desulfitobacterium sp. strain Viet1, Desulfuromonas michiganensis and Geobacter lovleyi sp. strain SZ and compared to the previous reports using Sulfurospirillum spp. and Desulfitobacterium sp. strain PCE-S. Carbon isotope fractionation of tetrachloroethene (PCE) and trichlorethene (TCE) was highly variable ranging from the absence of significant fractionation to carbon isotope fractionation (epsilonC) of 16.7 and 3.5-18.9 for PCE and TCE, respectively. Fractionation of both compounds by D. ethenogenes strain 195 (PCE: epsilonC=6.0; TCE: epsilonC=13.7) was similar to the literature data for mixed cultures containing Dehalococcoides spp. D. michiganensis (PCE: no significant fractionation; TCE: epsilonC=3.5) and G. lovleyi sp. strain SZ (PCE no significant fractionation; TCE: epsilonC=8.5) generated the lowest fractionation of all studied strains. Desulfitobacterium sp. strain Viet1 (PCE: epsilonC=16.7) gave the highest enrichment factor for PCE. PMID:18155126

  15. Crystal structure of borated N,N,N′,N′-tetra­methyldi­amino­methane

    PubMed Central

    Louven, Kathrin; Quentin, Georgina; Strohmann, Carsten

    2015-01-01

    In the title compound, {[(di­methyl­amino)­meth­yl]di­methyl­amine}­trihydridoboron, C5H17BN2, the tetra­hedral geometry of the N—C—N unit is slightly disorted. As a result of the bulky amine substituents, a wider N—C—N angle of 113.6 (1)° is observed. The bond lengths between the N atom and methyl groups are slighly elongated to 1.481 (2) and 1.482 (2) Å at the borated N atom, whereas the distances between the other N atom and its methyl groups are only 1.461 (2) and 1.462 (2) Å. The studied crystal was twinned. The twin data refinement was subsequently carried out with a scale factor of 0.263 (1). The two lattices of the twin domains were rotated by 179.84°. PMID:26594453

  16. Industrial-hygiene walk-through survey report of Tetra Pak, Inc. , Denton, Texas

    SciTech Connect

    McCammon, C.S.; Krishnan, E.R.; Goodman, R.J.

    1987-06-05

    A walk-through industrial-hygiene survey was conducted at the Tetra Pak Denton facility in Denton, Texas to determine possible employee exposure to acrylates or methacrylates. Acrylated inks and coatings have been used at this facility since 1984 to produce aseptic flexible packaging material for the food industry. There were three offset printing press lines used at the company, each with five offset presses to apply different colored inks. As many as five separate wet-on-wet applications of acrylated ink formulations sometimes preceded the coating application. After the inks were applied they were passed through an offset blanket coater. Following this step an electron-beam-curing unit radiated the inks and coating. Environmental enclosures surrounded the offset-printing presses in order to cut down on noise and mist. Of the 176 employees at this company, 37 had potential contact with acrylates. No air monitoring has been conducted at this facility for acrylates. One case of dermatitis arose at the company since 1984 and possibly was related directly to skin contact with acrylates. There was a safety program in place at the company and personnel records were maintained for each employee.

  17. Fluorescence and mass spectrometry studies of meta-tetra(hydroxyphenyl)chlorin photoproducts.

    PubMed

    Kasselouri, A; Bourdon, O; Demore, D; Blais, J C; Prognon, P; Bourg-Heckly, G; Blais, J

    1999-09-01

    The meta-tetra(hydroxyphenyl)chlorin (m-THPC), a second-generation sensitizer used in photodynamic therapy (PDT), is currently under clinical trial. In vivo fluorometry provides direct evidence that photobleaching processes are induced at the tumor site during PDT. Photoproduct formation has thus to be taken into account to fully understand PDT treatment. A preliminary step is to determine the fluorescence characteristics of photoproducts formed in solution. Solutions of m-THPC irradiated at 514 nm have been separated by HPLC using absorption and fluorescence detection. Six main photoproducts have been isolated. According to matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOFMS) results, five fluorescent photoproducts emitting at 652 nm have been attributed to three mono-, one di- and one tri-hydroxy derivatives (m/z 697, 713 and 729, respectively). Fluorescence characteristics of mono-hydroxy forms were found to be similar to those of m-THPC, whereas fluorescence yields in di- and tri-hydroxy derivatives were very low. Another product, corresponding to a MALDI-TOF MS main signal at m/z 542, showed an absorption spectrum maximum at 522 nm while a weak fluorescence was detected at 480 nm. The loss of the Soret band suggests that this photoproduct results from the opening of the reduced pyrrole ring. The part played by each of these products in the photobleaching phenomenon of m-THPC is discussed. PMID:10483355

  18. Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums

    PubMed Central

    Yuan, Jun; Sun, Tingting; He, Xin; An, Ke; Zhu, Jun; Zhao, Liang

    2016-01-01

    Polymetalated aromatic compounds are particularly challenging synthetic goals because of the limited thermodynamic stability of polyanionic species arising from strong electrostatic repulsion between adjacent carbanionic sites. Here we describe a facile synthesis of two polyaurated complexes including a tetra-aurated indole and an octa-aurated benzodipyrrole. The imido trinuclear gold(I) moiety exhibits nucleophilicity and undergoes an intramolecular attack on a gold(I)-activated ethynyl to generate polyanionic heteroaryl species. Their computed magnetic properties reveal the aromatic character in the five-membered ring. The incorporation of the aurated substituents at the nitrogen atom can convert non-aromaticity in the parent indolium into aromaticity in the aurated one because of hyperconjugation. Thus, the concept of hyperconjugative aromaticity is extended to heterocycles with transition metal substituents. More importantly, further analysis indicates that the aurated substituents can perform better than traditional main-group substituents. This work highlights the difference in aromaticity between polymetalated aryls and their organic prototypes. PMID:27186982

  19. Electrocatalytic Oxygen Reduction by Iron Tetra-arylporphyrins Bearing Pendant Proton Relays

    SciTech Connect

    Carver, Colin T.; Matson, Benjamin D.; Mayer, James M.

    2012-03-28

    Fe(III)meso-tetra(2-carboxyphenyl)porphine chloride (1) was investigated as an electrocatalyst for the oxygen reduction reaction (ORR). Rotating ring-disk voltammetry and independent reactions with hydrogen peroxide indicate that 1 has very high selectivity for reduction of O2 to H2O, without forming significant amounts of H2O2. Cyclic voltammetric measurements at high substrate/catalyst ratios allowed the determination of the turnover frequency (TOF) of 1, TOF = 103 s-1. The 4-carboxyphenyl isomer of 1, in which the carboxylic acids point away from the iron center, is a substantially slower and less selective catalyst. This direct comparison demonstrates that the value of the carboxylate groups positioned to act as proton delivery relays to enhance both the TOF and selectivity of 1 as a catalyst for the ORR. This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center, funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences.

  20. Synthesis and gas adsorption properties of tetra-armed microporous organic polymer networks based on triphenylamine.

    PubMed

    Yang, Xiao; Yao, Shuwen; Yu, Miao; Jiang, Jia-Xing

    2014-04-01

    Two novel tetra-armed microporous organic polymers have been designed and synthesized via a nickel-catalyzed Yamamoto-type Ullmann cross-coupling reaction or Suzuki cross-coupling polycondensation. These polymers are stable in various solvents, including concentrated hydrochloric acid, and are thermally stable. The homocoupled polymer YPTPA shows much higher Brunauer-Emmet-Teller-specific surface area up to 1557 m(2) g(-1) than the copolymer SPTPA (544 m(2) g(-1)), and a high CO2 uptake ability of 3.03 mmol g(-1) (1.13 bar/273 K) with a CO2 /N2 sorption selectivity of 17.3:1. Both polymers show high isosteric heats of CO2 adsorption (22.7-26.5 kJ mol(-1)) because the incorporation of nitrogen atoms into the skeleton of microporous organic polymers enhances the interaction between the pore wall and the CO2 molecules. The values are higher than those of the porous aromatic frameworks, which contain neither additional polar functional groups nor nitrogen atoms, and are rather close to those of previously reported microporous organic polymers containing the nitrogen atoms on the pore wall. These data show that these materials would be potential candidates for applications in post-combustion CO2 capture and sequestration technology. PMID:24504693

  1. Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums.

    PubMed

    Yuan, Jun; Sun, Tingting; He, Xin; An, Ke; Zhu, Jun; Zhao, Liang

    2016-01-01

    Polymetalated aromatic compounds are particularly challenging synthetic goals because of the limited thermodynamic stability of polyanionic species arising from strong electrostatic repulsion between adjacent carbanionic sites. Here we describe a facile synthesis of two polyaurated complexes including a tetra-aurated indole and an octa-aurated benzodipyrrole. The imido trinuclear gold(I) moiety exhibits nucleophilicity and undergoes an intramolecular attack on a gold(I)-activated ethynyl to generate polyanionic heteroaryl species. Their computed magnetic properties reveal the aromatic character in the five-membered ring. The incorporation of the aurated substituents at the nitrogen atom can convert non-aromaticity in the parent indolium into aromaticity in the aurated one because of hyperconjugation. Thus, the concept of hyperconjugative aromaticity is extended to heterocycles with transition metal substituents. More importantly, further analysis indicates that the aurated substituents can perform better than traditional main-group substituents. This work highlights the difference in aromaticity between polymetalated aryls and their organic prototypes. PMID:27186982

  2. Spectroscopic studies of the interaction between tetra-substituted aluminum phthalocyanines and bovine serum albumin

    NASA Astrophysics Data System (ADS)

    He, Yipeng; Zheng, Liqin; Huang, Yide; Lin, Pingping; Yang, Hongqin; Peng, Yiru

    2014-11-01

    Serum albumin, the most abundant plasma protein in mammalian blood, shows significant effects on delivery and therapeutic efficacy of drugs, therefore, the investigation of binding interaction between serum albumin and drugs is vital and necessary. In the present study, the binding interaction of two aluminum (III) phthalocyanine (AlPc) derivatives, tetrasulfonate- and tetra-(p-sulfoazophenyl-4-aminosulfonyl)-substituted AlPc (complexes 1 and 2), with bovine serum albumin (BSA) was investigated by UV-Vis and fluorescence spectroscopy. Adding BSA to the Pc complexes in water caused remarkable changes in the Q-band of the Pc complexes, indicating an altered aggregation behavior. When titrating these AlPcs with BSA in PBS, the intrinsic fluorescence of BSA was significantly quenched through a static quenching process. The binding of Pc complexes to BSA might change its conformation, evidenced by the red shift of maximum emission wavelength. Furthermore, binding constants and binding sites were obtained and binding ability between the Pc complexes and BSA was assessed. Our results suggest that complexes 1 and 2 readily interact with BSA whereas the latter shows more affinity (with higher binding constant value) to BSA, implying the stretched amphiphilic substituents of complex 2 may contribute to their transportation in the blood.

  3. Unifying Evaluation of the Technical Performances of Iron-Tetra-amido Macrocyclic Ligand Oxidation Catalysts.

    PubMed

    DeNardo, Matthew A; Mills, Matthew R; Ryabov, Alexander D; Collins, Terrence J

    2016-03-01

    The main features of iron-tetra-amido macrocyclic ligand complex (a sub-branch of TAML) catalysis of peroxide oxidations are rationalized by a two-step mechanism: Fe(III) + H2O2 → Active catalyst (Ac) (kI), and Ac + Substrate (S) → Fe(III) + Product (kII). TAML activators also undergo inactivation under catalytic conditions: Ac → Inactive catalyst (ki). The recently developed relationship, ln(S0/S∞) = (kII/ki)[Fe(III)]tot, where S0 and S∞ are [S] at time t = 0 and ∞, respectively, gives access to ki under any conditions. Analysis of the rate constants kI, kII, and ki at the environmentally significant pH of 7 for a broad series of TAML activators has revealed a 6 orders of magnitude reactivity differential in both kII and ki and 3 orders differential in kI. Linear free energy relationships linking kII with ki and kI reveal that the reactivity toward substrates is related to the instability of the active TAML intermediates and suggest that the reactivity in all three processes derives from a common electronic origin. The reactivities of TAML activators and the horseradish peroxidase enzyme are critically compared. PMID:26886296

  4. Synthesis and structural analysis of tetra- and pentacyclic lactams derived from regioisomeric tetrahydroisoquinoline diamines

    NASA Astrophysics Data System (ADS)

    Kivelä, Henri; Tähtinen, Petri; Martiskainen, Olli; Pihlaja, Kalevi; Lázár, László; Vigóczki, Edina; Fülöp, Ferenc

    2010-11-01

    By means of the domino ring-closure reactions of 1-(aminomethyl)- and 3-(aminomethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline with acyclic and aromatic γ- or δ-oxo acids, angularly or linearly condensed tetra- and pentacyclic lactam derivatives were formed with moderate to excellent diastereoselectivities. NMR analysis indicated that the cis diastereomer ( a) was the main or the only product in each case, depending on the nature of the starting oxo acid used. The angularly-condensed cis diastereomers were observed to populate two types of conformations in CDCl 3 solution, the preferred conformation being determined by the substitution on the lactam ring. These conformers are related by ring inversion of the approximately half-chair-like tetrahydropyridine ring, combined with a pyramidal inversion of its nitrogen atom. For the other combinations of regio- and diastereochemistry, the preferred conformation was not strongly influenced by the lactam substitution within the subset. The linear and angular structural isomers gave fragment ions that were useful for distinguishing between isomers, but with diastereomers the differences were not so clear.

  5. Natural chymotrypsin-like-cleaved human mitochondrial peptides confirm tetra-, pentacodon, non-canonical RNA translations.

    PubMed

    Seligmann, Hervé

    2016-09-01

    Mass spectra of human mitochondrial peptides match non-canonical transcripts systematically (a) deleting mono/dinucleotides after trinucleotides (delRNA), (b) exchanging nucleotides (swinger RNA), translated according to tri, (c) tetra- and pentacodons (codons expanded by a 4th (and 5th) silent nucleotide(s)). Swinger transcriptions are 23 bijective transformations, nine symmetric (X<->Y, e.g. A<->C) and fourteen asymmetric exchanges (X->Y->Z->X, e.g. A->C->G->A). Here, proteomic analyses assuming cleavage after W,Y, F (chymotrypsin-like, for trypsinized samples) detect fewer chymotrypsinized than trypsinized peptides. Detected non-canonical peptides map preferentially on detected non-canonical RNAs for chymotrypsinized peptides, as previously found for trypsinized peptides. This suggests residual natural chymotrypsin-like digestion detectable within experimentally trypsinized peptide data. Some trypsinized peptides are detected twice, by analyses assuming trypsin, and those assuming chymotrypsin cleavages. They have higher spectra counts than peptides detected only once, meaning that abundant peptides are more frequently detected, but detection certainties resemble those for peptides detected only once. Analyses assuming 'incorrect' digestions are inadequate negative controls for digestion enzymes naturally active in biological samples. Chymotrypsin-analyses confirm non-canonical transcriptions/translations independently of results obtained assuming trypsinization, increase non-canonical peptidome coverage, indicating mitogenome-encoding of yet undetected proteins. PMID:27477600

  6. Crystal structure of tetra­aqua­(di­methyl­formamide)­tetra­kis­(μ-N,2-dioxido­benzene-1-carboximidato)tetra­kis­(μ-tri­methyl­acetato)­tetra­manganese(III)sodiumyttrium–di­methyl­formamide–water (1/8.04/0.62)

    PubMed Central

    Travis, Jordan R.; Zeller, Matthias; Zaleski, Curtis M.

    2015-01-01

    The synthesis and crystal structure for the title compound, [YNaMn4(C7H4NO3)4(C5H9O2)4(H2O)3.76(C3H7NO)0.24]·8.04C3H7NO·0.62H2O or [YIIINa(OTMA)4[12-MCMn(III)N(shi)-4](H2O)3.76(DMF)0.24·8.04DMF·0.62H2O, where OTMA is tri­methyl­acetate, MC is metallacrown, shi3− is salicyl­hydroximate, and DMF is N,N-di­methyl­formamide, is reported. The macrocyclic metallacrown consists of an –[MnIII–N–O]4– ring repeat unit, and the metallacrown captures one YIII ion and one NaI ion in the central cavity on opposite faces of the metallacrown. Overall the metallacrown is domed towards the side of the NaI ion. Both the YIII and NaI ions are eight-coordinate, and the tri­methyl­acetate anions bridge the central YIII to each ring MnIII ion. The ring MnIII ions are six-coordinate with a tetra­gonally distorted octa­hedral geometry. PMID:26594496

  7. Synthesis of some novel CoII and CoIII complexes by tribochemical reactions using KI with some derivatives of thiosemicarbazide complexes derived from Girard's T and P.

    PubMed

    Al-Ashqar, S M; Mostafa, M M

    2008-12-15

    The starting Co(II) complexes of the general formulae, [Co(L1)2]Cl4.4H2O, [Co(L1)Cl2]Cl (L1=N-([(allyl amino)thioxomethyl]hydrazinocarbonylmethyl) trimethylammonium chloride; ATHTC), [Co(L2)Cl]Cl.2H2O.(1/2)EtOH (L2=N-([(ethylamine)thioxomethyl]hydrazinocarbonylmethyl)trimethylammonium chloride; ETHTC) and [Co(L3)Cl2]Cl.2EtOH (L3=N-([(phenylaminomethyl)thioxomethyl]hydrazinocarbonylmethyl)pyridinium chloride; PTHPC), were synthesized by the conventional chemical methods. Tribochemical reactions of the above mentioned CoII complexes obtained by chemical methods with KI afford novel CoII and CoIII complexes with the general formulae [Co(L1')I3.(1/2)EtOH]I, [Co2(L1')I4]I.EtOH, [Co(L2')I2.(3/2)EtOH]I, [Co2(L2')I4(OEt)2(H2O)2]I.(1/2)EtOH and [Co(L3')I2.H2O]I.3H2O. The ligands (L1', L2' and L3') formed by tribochemical reactions are quite similar to these of L1, L2 and L3, except that the ionizable chloride ions in case of L1, L2 and L3 are substituted by iodide ions in (L1', L2' and L3'). The isolated solid CoII and CoIII complexes have been characterized by elemental analyses, conductivities, spectral (IR, UV-vis, 1H NMR) and magnetic measurements. The IR spectra of the starting CoII complexes indicate that both L1 and L3 behave in bidentate manner coordinating via the carbonyl oxygen and NH2 groups, but L2 behaves as a tridentate fashion coordinating via the carbonyl oxygen, azomethine (C=N2) and SH groups with displacement of a hydrogen atom from the latter group. On the other hand, the IR spectra of the iodide CoII and CoIII complexes, synthesized by tribochemical reactions, suggest that L1' behaves only in a bidentate fashion via NH1 and CS groups. L2' behaves either as bidentate ligand through NH1 and CSH with deprotonation from the latter group or as a tetradentate ligand towards two cobalt ions via OH, C=N2, C=N1 and C-SH with displacement of a hydrogen atom from the latter group. Moreover, L3' behaves in a tetradentate ligand, toward two cobalt ions via the

  8. Structural analysis of the complex between penta-EF-hand ALG-2 protein and Sec31A peptide reveals a novel target recognition mechanism of ALG-2.

    PubMed

    Takahashi, Takeshi; Kojima, Kyosuke; Zhang, Wei; Sasaki, Kanae; Ito, Masaru; Suzuki, Hironori; Kawasaki, Masato; Wakatsuki, Soichi; Takahara, Terunao; Shibata, Hideki; Maki, Masatoshi

    2015-01-01

    ALG-2, a 22-kDa penta-EF-hand protein, is involved in cell death, signal transduction, membrane trafficking, etc., by interacting with various proteins in mammalian cells in a Ca2+-dependent manner. Most known ALG-2-interacting proteins contain proline-rich regions in which either PPYPXnYP (type 1 motif) or PXPGF (type 2 motif) is commonly found. Previous X-ray crystal structural analysis of the complex between ALG-2 and an ALIX peptide revealed that the peptide binds to the two hydrophobic pockets. In the present study, we resolved the crystal structure of the complex between ALG-2 and a peptide of Sec31A (outer shell component of coat complex II, COPII; containing the type 2 motif) and found that the peptide binds to the third hydrophobic pocket (Pocket 3). While amino acid substitution of Phe85, a Pocket 3 residue, with Ala abrogated the interaction with Sec31A, it did not affect the interaction with ALIX. On the other hand, amino acid substitution of Tyr180, a Pocket 1 residue, with Ala caused loss of binding to ALIX, but maintained binding to Sec31A. We conclude that ALG-2 recognizes two types of motifs at different hydrophobic surfaces. Furthermore, based on the results of serial mutational analysis of the ALG-2-binding sites in Sec31A, the type 2 motif was newly defined. PMID:25667979

  9. Antioxidant activity of penta-oligogalacturonide, isolated from haw pectin, suppresses triglyceride synthesis in mice fed with a high-fat diet.

    PubMed

    Li, Tuoping; Li, Suhong; Dong, Yinping; Zhu, Rugang; Liu, Yonghui

    2014-02-15

    To expand application of hawthorn (Crataegus pinnatifida Bge) fruit, the antioxidant and anti-lipidemic effects of haw pectin penta-oligogalacturonide (HPPS) prepared from hawthorn fruit were investigated in vitro and in mice. HPPS exhibited concentration-dependent scavenging activities against superoxide anion, hydroxyl and DPPH radicals. Additionally, HPPS supplementation significantly enhanced the antioxidant enzyme activities of superoxide dismutase, catalase, glutathione peroxidase, increased the total antioxidant capacity and the levels of glutathione, but lowered the malondialdehyde content in the liver of high-fat fed mice. Furthermore, HPPS significantly decreased the TG levels, the activity and the mRNA and protein levels of glycerol 3-phosphate acyltransferase (GPAT) and phosphatidate phosphohydrolase (PAP) in mice livers. Moreover, liver steatosis of mice associated with diffuse hepatocyte ballooning induced by a high-fat diet was markedly improved by a dose of 300 mg/kg HPPS-consumption. The results revealed that HPPS might be applicable as a dietary supplement for the prevention of fatty liver and oxidative damage. PMID:24128486

  10. Use of gadolinium diethylene triamine penta-acetic acid, as measured by ELISA, in the determination of glomerular filtration rates in cats.

    PubMed

    Sox, Erika M; Chiotti, Ruthanne; Goldstein, Richard E

    2010-10-01

    The goal of this study was to evaluate a commercially available assay for gadolinium diethylene triamine penta-acetic acid (Gd-DTPA) for use in estimating glomerular filtration rate (GFR) in cats (Gd-DTPA GFR) with a wide range of GFRs. Eighteen adult cats (11 healthy and seven with chronic kidney disease) were included. Plasma concentrations of Gd-DTPA following intravenous injection were measured with an ELISA kit (FIT-GFR). Results for Gd-DTPA GFR were compared with simultaneously obtained values for plasma clearance of iohexol (iohexol GFR), plasma blood urea nitrogen (BUN) and creatinine concentrations. A negative correlation existed between iohexol GFR and plasma concentrations of BUN and creatinine. A positive correlation existed between Gd-DTPA GFR and iohexol GFR. There was no correlation between Gd-DTPA GFR and plasma concentrations of BUN and creatinine. In this study plasma clearance of Gd-DTPA assayed by FIT-GFR did not appear to provide a sufficiently accurate estimation of GFR in cats when compared with plasma clearance of iohexol, and plasma concentrations of BUN and creatinine. PMID:20724186

  11. Anti-TMV Activity of Malformin A1, a Cyclic Penta-Peptide Produced by an Endophytic Fungus Aspergillus tubingensis FJBJ11

    PubMed Central

    Tan, Qing-Wei; Gao, Fang-Luan; Wang, Fu-Rong; Chen, Qi-Jian

    2015-01-01

    Plant-associated microorganisms are known to produce a variety of metabolites with novel structures and interesting biological activities. An endophytic fungus FJBJ11, isolated from the plant tissue of Brucea javanica (L.) Merr. (Simaroubaceae), was proven to be significantly effective in producing metabolites with anti-Tobacco mosaic virus (TMV) activities. The isolate was identified as Aspergillus tubingensis FJBJ11 based on morphological characteristics and ITS sequence. Bioassay-guided isolation led to the identification of a cycli penta-peptide, malformin A1, along with two cyclic dipeptides, cyclo (Gly-l-Pro) and cyclo (Ala-Leu). Malformin A1 showed potent inhibitory effect against the infection and replication of TMV with IC50 values of 19.7 and 45.4 μg·mL−1, as tested using local lesion assay and leaf-disc method, respectively. The results indicated the potential use of malformin A1 as a leading compound or a promising candidate of new viricide. PMID:25775156

  12. Preparation of penta-O-galloyl-β-D-glucose from tannic acid and plasma pharmacokinetic analyses by liquid-liquid extraction and reverse-phase HPLC.

    PubMed

    Li, Li; Shaik, Ahmad Ali; Zhang, Jinhui; Nhkata, Katai; Wang, Lei; Zhang, Yong; Xing, Chengguo; Kim, Sung-Hoon; Lü, Junxuan

    2011-02-20

    The gallotannin penta-O-galloyl-beta-D-glucose (PGG) has many biological activities including in vivo anti-cancer efficacy. We present in this paper a scaled-up protocol for its preparation in high purity from tannic acid by acidic methanolysis with typical yield of 15%. We also describe a method for the analysis of PGG in mouse plasma by HPLC and its application in preliminary pharmacokinetic studies. A liquid-liquid extraction (LLE) protocol was optimized for the extraction of PGG from mouse plasma. The extraction efficiency for PGG at 1 μg/mL in mouse plasma was 70.0±1.3% (n=5). The limit of detection (LOD) for PGG was approximately 0.2 μg/mL. Preliminary pharmacokinetic parameters of PGG following a single i.p. injection with 5% ethanol/saline vehicle in mice were established. The peak plasma PGG concentrations (C(max)) were approximately 3-4 μM at a dose of 0.5 mg per mouse (∼20 mg/kg) at 2 h post-injection (T(max)). PMID:20970943

  13. Apoptosis induced by penta-acetyl geniposide in C6 glioma cells is associated with JNK activation and Fas ligand induction

    SciTech Connect

    Peng, C.-H.; Tseng, T.-H.; Huang, C.-N.; Hsu, S.-P.; Wang, C.-J. . E-mail: wcj@csmu.edu.tw

    2005-01-15

    In our previous study, penta-acetyl geniposide ((AC){sub 5}GP) is suggested to induce tumor cell apoptosis through the specific activation of PKC{delta}. However, the downstream signal pathway of PKC{delta} has not yet been investigated. It was shown that JNK may play an important role in the regulation of apoptosis and could be a possible downstream signal of PKC{delta} isoforms. In the present study, we investigate whether JNK is involved in (AC){sub 5}GP induced apoptosis. The result reveals that (AC){sub 5}GP induces JNK activation and c-Jun phosphorylation thus stimulating the expression of Fas-L and Fas. Using SP600125 to block JNK activation shows that (AC){sub 5}GP-mediated apoptosis and related proteins expression are attenuated. Furthermore, we find that the (AC){sub 5}GP induces apoptosis through the activation of JNK/Jun/Fas L/Fas/caspase 8/caspase 3, a mitochondria-independent pathway. The JNK pathway is suggested to be the downstream signal of PKC{delta}, since rottlerin impedes (AC){sub 5}GP-induced JNK activation. Therefore, (AC){sub 5}GP mediates cell death via activation of PKC{delta}/JNK/FasL cascade signaling.

  14. In vitro exposure of DE-71, a penta-PBDE mixture, on immune endpoints in bottlenose dolphins (Tursiops truncatus) and B6C3F1 mice.

    PubMed

    Wirth, Jena R; Peden-Adams, Margie M; White, Natasha D; Bossart, Gregory D; Fair, Patricia A

    2015-02-01

    Polybrominated diphenyl ethers (PBDEs) are an emerging contaminant of concern with low level exposures demonstrating toxicity in laboratory animals and wildlife, although immunotoxicity studies have been limited. Bottlenose dolphin peripheral blood leukocytes (PBLs) and mouse splenocytes were exposed to environmentally relevant DE-71 (a penta-PBDE mixture) concentrations (0-50 µg ml(-1) ) in vitro. Natural killer (NK) cell activity and lymphocyte (B and T cell) proliferation were evaluated using the parallelogram approach for risk assessment. This study aimed to substantiate results from field studies with dolphins, assess the sensitivities between the mouse model and dolphins, and to evaluate risk using the parallelogram approach. In mouse cells, NK cell activity increased at in vitro doses 0.05, 0.5 and 25 µg DE-71 ml(-1) , whereas proliferation was not modulated. In dolphin cells, NK cell activity and lymphocyte proliferation was not altered after in vitro exposure. In vitro exposure of dolphin PBLs to DE-71 showed similar results to correlative field studies; NK cell activity in mice was more sensitive to in vitro exposure than dolphins, and the parallelogram approach showed correlation with all three endpoints to predict risk in bottlenose dolphins. PMID:24706408

  15. Protein Binding and Astringent Taste of a Polymeric Procyanidin, 1,2,3,4,6-Penta-O-galloyl-β-D-glucopyranose, Castalagin and Grandinin

    PubMed Central

    Hofmann, Thomas; Glabasnia, Arne; Schwarz, Bernd; Wisman, Kimberly N.; Gangwer, Kelly A.; Hagerman, Ann E.

    2008-01-01

    The objective of the present investigation was to examine oral astringency and protein binding activity of four structurally well-defined tannins, namely procyanidin (epicatechin16(4→8)catechin), pentagalloyl glucose (1,2,3,4,6-penta-O-galloyl-β-D-glucopyranose), castalagin, and grandinin, representing the three main structural categories of tannins, the proanthocyanidins, the gallotannins, and the ellagitannins. Astringency threshold and dose response were determined by the half-tongue test using a trained human panel. Protein binding stoichiometry and relative affinity were determined using radioiodinated bovine serum albumin in precipitation or competitive binding assays. Procyanidin and pentagalloyl glucose were perceived as highly astringent compounds and had relatively steep dose response curves but castalagin and grandinin had a lower mass threshold for detection. In vitro, procyanidin was the most effective protein precipitating agent, and grandinin the least. Increasing the temperature increased protein precipitation by the hydrolysable tannins, especially grandinin. All four polyphenols had higher relative affinity for proline-rich proteins than for bovine serum albumin. PMID:17147439

  16. 1,2,3,4,6-penta-O-galloyl-beta-D-glucose (PGG) reduces renal crystallization and oxidative stress in a hyperoxaluric rat model

    PubMed Central

    Lee, Hyo-Jung; Jeong, Soo-Jin; Lee, Hyo-Jeong; Lieske, John C.; Kim, Sung-Hoon

    2014-01-01

    Adhesion of calcium oxalate (CaOx) crystals to kidney cells may be a key event in the pathogenesis of kidney stones associated with marked hyperoxaluria. Previously, we found that 1,2,3,4,6-penta-O-galloyl-beta-D-glucose (PGG), isolated from a traditional medicinal herb, reduced CaOx crystal adhesion to renal epithelial cells by acting on the cells as well as the crystal surface. Here we used the ethylene glycol (EG) - mediated hyperoxaluric rat model and found evidence of oxidant stress as indicated by decreases in the activities of the renal antioxidant enzymes superoxide dismutase, catalase, and glutathione peroxidase, with increased kidney cell apoptosis and serum malondialdehyde levels, all evident by 21 days of EG treatment. These effects of hyperoxaluria were reversed by concurrent PGG treatment along with decreased urinary oxalate levels and CaOx supersaturation. Renal epithelial cell expression of the crystal binding molecule hyaluronan increased diffusely within 7 days of EG initiation, suggesting it is not a result of but precedes crystal deposition. Renal cell osteopontin (OPN) was also up regulated in EG-treated animals, and PGG significantly attenuated over expression of both OPN and hyaluronan. Thus, our findings demonstrate that PGG reduces renal crystallization and oxidative renal cell injury, and may be a candidate chemo preventative agent for nephrolithiasis. PMID:21085110

  17. Inhibitory Effects of 1,2,3,4,6-Penta-O-Galloyl-β-d-Glucopyranose on Biofilm Formation by Staphylococcus aureus▿ †

    PubMed Central

    Lin, Mei-Hui; Chang, Fang-Rong; Hua, Mu-Yi; Wu, Yang-Chang; Liu, Shih-Tung

    2011-01-01

    1,2,3,4,6-Penta-O-galloyl-β-d-glucopyranose (PGG) is an active ingredient in plants that are commonly used in Chinese medicine to treat inflammation. We demonstrate here that PGG, at 6.25 μM, does not inhibit the growth of Staphylococcus aureus, and yet it prevents biofilm formation on polystyrene and polycarbonate surfaces. At the same concentration, PGG is not toxic to human epithelial and fibroblast cells. PGG has an IB50 value, i.e., the PGG concentration that inhibits 50% biofilm formation, of 3.6 μM. The value is substantially lower than that of N-acetylcysteine, iodoacetamide, and N-phenyl maleimide, which are known to inhibit biofilm formation by S. aureus. Biochemical and scanning electron microscopy results also reveal that PGG inhibits initial attachment of the bacteria to solid surface and the synthesis of polysaccharide intercellular adhesin, explaining how PGG inhibits biofilm formation. The results of this study demonstrate that coating PGG on polystyrene and silicon rubber surfaces with polyaniline prevents biofilm formation, indicating that PGG is highly promising for clinical use in preventing biofilm formation by S. aureus. PMID:21173176

  18. Improved antimicrobial therapy with cationic tetra- and octa-substituted phthalocyanines

    NASA Astrophysics Data System (ADS)

    Angelov, I.; Mantareva, V.; Kussovski, V.; Woehrle, D.; Borisova, E.; Avramov, L.

    2008-12-01

    Photodynamic therapy (PDT) today is an innovative and not yet widespread light-drug initiated treatment that is based on the photoactive compound irradiated with proper light to produce oxygen species that are toxic to the pathogenic biological objects- bacteria, viruses, tumor cells. The obstacles that limited the efficacy of PDT concern to the selectivity and multi-drug resistance prolong time for cellular release and side effects of skin photosensitivity for commercial porphyrin originated photosensitizers (PS). Now there are very intensive investigations for introducing in practice a new, with a least side effects PSs for PDT. The usefulness of the more extended macromolecules structured with proper substituents refers not only to the improved optical properties like far-red and with intensive absorption and emission capacity, but mainly to the ability for selective delivery and adhesion to the target cells, such as bacteria or other pathogens. The present study focuses on the charge effect of photodynamic agent on the uptake capacity toward gram-negative bacteria cells and their further photoinactivation. The multi-drug resistant microorganism Aeromanas hydrophilla, which is causing diseases to fishes and humans, is treated. The new octa-cationic phthalocyanines are designed to compare PDT efficacy to the efficacy of tetra-substituted derivatives with the same functional peripheral substituents. The higher cellular accumulation to the bacteria cells as a result of the high number of positive charges of photosensitizer, leading to the better adhesion to the cellular membranes and improved photoinactivation of bacteria causing superficial and intraorgan infections. These results set a base of a rationale design of covalently octa-substituted phthalocyanines with positive charge for a successful treatment of microorganisms.

  19. Growth, spectroscopic and physicochemical properties of bis mercury ferric chloride tetra thiocyanate: A nonlinear optical crystal

    NASA Astrophysics Data System (ADS)

    Ramesh, V.; Shihabuddeen Syed, A.; Jagannathan, K.; Rajarajan, K.

    2013-05-01

    Single crystal of bis mercury ferric chloride tetra thiocyanate [Hg2FeCl3(SCN)4; (MFCTC)] was grown from ethanol-water (3:1) mixed solvent using slow evaporation solvent technique (SEST) for the first time. The cell parameters of the grown crystal were confirmed by single crystal XRD. The coordination of transition metal ions with the SCN ligand is well-identified using FT-IR spectral analysis. The chemical composition of MFCTC was confirmed using CHNS elemental test. The ESR spectral profile of MFCTC was recorded from 298 K to 110 K, which strongly suggests the incorporation of Fe3+ ion and its environment with respect to SCN ligand. The HPLC chromatogram of MFCTC highlights the purity of the compound. The UV-Vis-NIR studies revealed the ultra violet cut-off wavelength of MFCTC in ethanol as 338 nm. The dielectric constant and dielectric loss of the sample were studied as a function of frequency and temperature. The TGA-DTA and DSC thermal analysis show that the sample is thermally stable up to 234.31 °C, which is comparatively far better than the thermal stability of Hg3CdCl2(SCN)6; (171.3 °C) and other metal-organic coordination complex crystals such as CdHg(SCN)4 (198.5 °C), Hg(N2H4CS)4Mn(SCN)4 (199.06 °C) and Hg(N2H4CS)4Zn(SCN)4 (185 °C). The SHG conversion efficiency of MFCTC is found to be higher than KDP.

  20. Changes in spectral reflexions from the iridophores of the neon tetra.

    PubMed Central

    Lythgoe, J N; Shand, J

    1982-01-01

    1. The iridescent stripe of the freshwater teleost, the neon tetra, changes from green in the daytime to violet-blue at night. 2. Spectral reflectance measurements were used to follow these colour changes. 3. Light causes a shift in reflectance to longer wavelengths in living fish and in isolated tissue from the lateral stripe. The change is reversed in darkness. 4. The spectral reflectance shifts to longer wavelengths when the fish is disturbed in darkness. No such colour changes were seen in fishes kept alive in 10(-4) M-reserpine. 5. Hypotonic Ringer solution causes a reflectance shift to longer wavelengths and hypertonic solution causes a shift to shorter wavelengths. 6. The iridescent reflexions from the lateral stripe which is continued across the iris originate from iridophores in the dermis. These iridophores contain regular stacks of broad, double-sided hexagonal plates that are about 10 nm thick. Each plate is contained within a pouch in the cytoplasm and is separated from its neighbour by approximately one quarter the wavelength of light. 7. A distinction is drawn between the physiologically active iridophores in the lateral stripe and iris that have broad hexagonal crystal plates which are very thin and the physiologically inactive iridophores that are also found in the iris, but in addition are found on the flanks below the lateral stripe, and on the head. These iridophores contain hexagonal crystals that are usually narrower than the active type, but are about 60-100 nm thick. Images Plate 1 Plate 2 Plate 3 Plate 4 Plate 5 PMID:7108777

  1. Growth, spectroscopic and physicochemical properties of bis mercury ferric chloride tetra thiocyanate: a nonlinear optical crystal.

    PubMed

    Ramesh, V; Shihabuddeen Syed, A; Jagannathan, K; Rajarajan, K

    2013-05-01

    Single crystal of bis mercury ferric chloride tetra thiocyanate [Hg2FeCl3(SCN)4; (MFCTC)] was grown from ethanol-water (3:1) mixed solvent using slow evaporation solvent technique (SEST) for the first time. The cell parameters of the grown crystal were confirmed by single crystal XRD. The coordination of transition metal ions with the SCN ligand is well-identified using FT-IR spectral analysis. The chemical composition of MFCTC was confirmed using CHNS elemental test. The ESR spectral profile of MFCTC was recorded from 298 K to 110K, which strongly suggests the incorporation of Fe(3+) ion and its environment with respect to SCN ligand. The HPLC chromatogram of MFCTC highlights the purity of the compound. The UV-Vis-NIR studies revealed the ultra violet cut-off wavelength of MFCTC in ethanol as 338 nm. The dielectric constant and dielectric loss of the sample were studied as a function of frequency and temperature. The TGA-DTA and DSC thermal analysis show that the sample is thermally stable up to 234.31 °C, which is comparatively far better than the thermal stability of Hg3CdCl2(SCN)6; (171.3 °C) and other metal-organic coordination complex crystals such as CdHg(SCN)4 (198.5 °C), Hg(N2H4CS)4Mn(SCN)4 (199.06 °C) and Hg(N2H4CS)4Zn(SCN)4 (185 °C). The SHG conversion efficiency of MFCTC is found to be higher than KDP. PMID:23501934

  2. Microwave-assisted synthesis, characterization and spectral properties of non-peripherally tetra-substituted phthalocyanines containing eugenol moieties

    NASA Astrophysics Data System (ADS)

    Kantar, Cihan; Şahin, Zarife Sibel; Büyükgüngör, Orhan; Şaşmaz, Selami

    2015-06-01

    The microwave-assisted synthesis and characterization of novel non-peripherally eugenol substituted metallophthalocyanines (M: Co(II), Ni(II), Cu(II), Zn(II)) have been reported for the first time in this study. All the new compounds were characterized by a combination of FT-IR, 1H NMR, 13C NMR, and UV/vis spectroscopy techniques. The crystal structure of compound (1) was also determined by the single crystal diffraction technique. Newly synthesized eugenol substituted phthalocyanines have more redshift Q bands (about 17-18 nm) than previously reported eugenol substituted phthalocyanines. Zinc(II)phthalocyanine (1d) has an extra absorption band at 746 nm that calling "X band" at UV/vis spectrum.

  3. On the Importance of Noncovalent Carbon-Bonding Interactions in the Stabilization of a 1D Co(II) Polymeric Chain as a Precursor of a Novel 2D Coordination Polymer.

    PubMed

    Pal, Pampi; Konar, Saugata; Lama, Prem; Das, Kinsuk; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata

    2016-07-14

    A new cobalt(II) coordination polymer 2 with μ1,5 dicyanamide (dca) and a bidentate ligand 3,5-dimethyl-1-(2'-pyridyl)pyrazole (pypz) is prepared in a stepwise manner using the newly synthesized one-dimensional linear Co(II) coordination polymer 1 as a precursor. The structural and thermal characterizations elucidate that the more stable complex 2 shows a two-dimensional layer structural feature. Here, Co(II) atoms with μ1,5 dicyanamido bridges are linked by the ligand pypz forming a macrocyclic chain that runs along the crystallographic 'c' axis having 'sql' (Shubnikov notation) net topology with a 4-connected uninodal node having point symbol {4(4).6(2)}. The remarkable noncovalent carbon-bonding contacts detected in the X-ray structure of compound 1 are analyzed and characterized by density functional theory calculations and the analysis of electron charge density (atoms in molecules). PMID:27295490

  4. Electronic, epr and magnetic studies of Co(II), Ni(II) and Cu(II) complexes with thiosemicarbazone (L 1) and semicarbazone (L 2) derived from pyrole-2-carboxyaldehyde

    NASA Astrophysics Data System (ADS)

    Chandra, Sulekh; Kumar, Anil

    2007-07-01

    Co(II), Ni(II) and Cu(II) complexes are synthesized with thiosemicarbazone (L 1) and semicarbazone (L 2) derived from pyrole-2-carboxyaldehyde. These complexes are characterized by elemental analysis, molar conductance, magnetic susceptibility measurements, mass, IR, electronic and EPR spectral studies .The molar conductance measurements of the complexes in DMSO correspond to non-electrolytic nature except Co(L 1) 2(NO 3) 2 and Ni(L 1) 2(NO 3) 2 complexes which are 1:2 electrolytes. All the complexes are of high-spin type. On the basis of spectral studies an octahedral geometry may be assigned for Co(II) and Ni(II) complexes except Co(L 1) 2(NO 3) 2 and Ni(L 1) 2(NO 3) 2 which are of tetrahedral geometry. A tetragonal geometry may be suggested for Cu(II) complexes.

  5. Antibacterial Co(II) and Ni(II) Complexes of N-(2-Furanylmethylene)-2-Aminothiadiazole and Role of SO42−, NO3−, C2O42− and CH3CO2− anions on Biological Properties

    PubMed Central

    Rauf, Abdul; Supuran, Claudiu T.

    2002-01-01

    Co(II) and Ni(II) complexes with a Schiff base, N-(2-furanylmethylene)-2-aminothiadiazole have been prepared and characterized by their physical, spectral and analytical data. The synthesized Schiff-bases act as tridentate ligands during the complexation reaction with Co(II) and Ni(II. metal ions. They possess the composition [M(L)2]Xn (where M=Co(II) or Ni(II), L=, X=NO3−, SO42−, C2O42− or CH3CO2− and n=1 or 2) and show an octahedral geometry. In order to evaluate the effect of anions upon chelation, the Schiff-base and its complexes have been screened for antibacterial activity against bacterial strains e.g., Escherichia coli, Staphylococcus aureus, and Pseudomonas aeruginosa. PMID:18476008

  6. Synthesis and X-ray structure analysis of a new binuclear Schiff base Co(II) complex with the ligand N,N'-bis(3-methoxysalicylidene)-1,4-butanediamine

    SciTech Connect

    Nasr-Esfahani, M.

    2009-12-15

    The title binuclear complex, tris[N,N-bis(3-methoxysalicylidene)-1,4-diaminobutane] dicobalt(II), C{sub 60}H{sub 70}Co{sub 2}N{sub 6}O{sub 15}, was prepared by the reaction of the tetradentate Schiff base ligand bis(3-methoxysalicylidene)-1,4-diaminobutane and Co(CH{sub 3}COO){sub 2} . 4H{sub 2}O in a ethanol solution and structurally characterized by single-crystal X-ray diffraction. This complex has a dinuclear structure where two Co(II) ions are bridged by one N{sup 0},N'-bis(3-methoxysalicylidene)-1,4-diaminobutane. The two Co(II) ions, have two distorted octahedral coordination involving two O and two N atoms.

  7. Low-Temperature Chemical Vapor Deposition of Silicon Dioxide Using Tetra-isocyanate-silane ( Si(NCO)4)

    NASA Astrophysics Data System (ADS)

    Taniguchi, Hitoshi; Sugiura, Osamu

    1994-10-01

    Deposition characteristics and step coverage of low-temperaturechemical vapor deposition silicon dioxide (CVD SiO2) using tetra-isocyanate-silane ( Si(NCO)4; TICS) and H2Ohave been investigated for application to interlayerdielectric films for advanced VLSI.The deposition rate was 13 nm/min at 100°C.The rate rapidly decreased with the increasing deposition temperature.It was determined by partial pressure rather than by flow rate of material gases.The step coverage showed a conformal profile.

  8. Synergistic extraction of trivalent lanthanides and actinides from acidic chloride media by tetra(n-octyl)diglycolamide

    SciTech Connect

    McAlister, D.R.; Horwitz, E. Philip

    2008-07-01

    Ferric chloride has been found to induce a significant synergistic enhancement of the extraction of trivalent lanthanides and actinides by tetra(n-octyl)diglycolamide (TODGA) from acidic chloride media. In this manuscript, results of a thorough investigation of the TODGA-HCl-Fe(III) system using solvent-extraction experiments designed to elucidate the stoichiometry of the synergistic species will be described. Results for Ac(III), Am(III), Eu(III), Pm(III), Y(III), Th(IV), Pu(IV), and U(VI) will be discussed. (authors)

  9. Electrochemical behavior of free-radical derivatives of tetra(4hydroxyl-3,5-di-tert-butylphenyl) porphyrin

    SciTech Connect

    Pokhodenko, V.D.; Melezhik, A.V.; Platonova, E.P.; Vovk, D.N.

    1984-08-01

    The electrochemical behavior of free-radical derivatives of tetra(4hydroxyl-3,5-di-tert-butylphenyl) porphyrins and their complexes with Mg(II), Zn(II), Ni(II), CU(II), and Pd(II) ions was studied by the methods of voltamperometry, ESR, and spectrophotometry. It was shown that the introduction of free-radical substituents into the porphin macrocycle leads to a substantial decrease in the oxidation and reduction potentials of the complexes. The degree of conjunction of substituents with the porphin macrocycle is estimated according to the difference of the redox potentials of free-radical and quinoid derivatives of metalloporphyrins.

  10. Tetra methyl substituted Cu(II) phthalocyanine as alternative hole transporting material for organometal halide perovskite solar cells

    NASA Astrophysics Data System (ADS)

    Sfyri, Georgia; Kumar, Challuri Vijay; Wang, Yu-Long; Xu, Zong-Xiang; Krontiras, C. A.; Lianos, Panagiotis

    2016-01-01

    Copper phthalocyanine is a promising hole transporting material, which can be employed with solid state perovskite solar cells. Tetra methyl substituted copper phthalocyanine was presently studied as a hole transporting material and demonstrated improved performance with respect to unsubstituted copper phthalocyanine. This material shows a strong absorption in the Visible and Near IR part of the electromagnetic spectrum contributing to the absorption of photons. Its LUMO and HOMO level are favourably positioned for injecting electrons and scavenging holes. Methyl substitution facilitates closer molecular packing leading to a stronger extinction coefficient, stronger π-π interaction and higher charge carrier mobility.

  11. Interaction peculiarities of 5,10,15,20-tetrakis(4-N-methylpyridil) tetra iodide porphyrin with albumin

    NASA Astrophysics Data System (ADS)

    Lebedeva, N. Sh.; Malkova, E. A.; Popova, T. E.; Kutyrev, A. E.; Syrbu, S. A.; Parfenyuk, E. V.; Vyugin, A. I.

    2014-01-01

    In present work interactions of bovine serum albumin with 5,10,15,20-tetrakis(4-N-methylpyridil) tetra iodide porphyrin have been studied by electron absorption and fluorescence spectroscopy. The studies were carried out in aqueous media at different pH and in water-dimethylformamide mixtures containing up to 0.19 M of the organic solvent. It has been demonstrated that the porphyrin forms stable complexes with BSA in which the porphyrin is located subdomains IB and IIA. The stability constants of the complexes is practically independent of pH.

  12. Synthesis, antimicrobial activity, structural and spectral characterization and DFT calculations of Co(II), Ni(II), Cu(II) and Pd(II) complexes of 4-amino-5-pyrimidinecarbonitrile

    NASA Astrophysics Data System (ADS)

    Mohamed, Tarek A.; Shaaban, Ibrahim A.; Farag, Rabei S.; Zoghaib, Wajdi M.; Afifi, Mahmoud S.

    2015-01-01

    Co(II), Ni(II), Cu(II) and Pd(II) complexes of 4-amino-5-pyrimidinecarbonitrile (APC) have been synthesized and characterized using elemental analysis, magnetic susceptibility, mass spectrometry, infrared (4000-200 cm-1), UV-Visible (200-1100 nm), 1H NMR and ESR spectroscopy as well as TGA analysis. The molar conductance measurements in DMSO imply non-electrolytic complexes, formulated as [M(APC)2Cl2] where M = Co(II), Ni(II), Cu(II) and Pd(II). The infrared spectra of Co(II), Ni(II) and Cu(II) complexes indicate a bidentate type of bonding for APC through the exocyclic amino and adjacent pyrimidine nitrogen as donors whereas APC coordinated to Pd(II) ion as a monodentated ligand via a pyrimidine nitrogen donor. The magnetic measurements and the electronic absorption spectra support distorted octahedral geometries for Co(II), Ni(II) and Cu(II) complexes however a square planar complex was favored for the Pd(II) complex (C2h skeleton symmetry). In addition, we carried out B3LYP and ω-B97XD geometry optimization at 6-31G(d) basis set except for Pd(II) where we implemented LanL2DZ/6-31G(d) combined basis set. The computational results favor all trans geometrical isomers where amino N, pyrimidine N and Cl are trans to each other (structure 1). Finally, APC and its divalent metal ion complexes were screened for their antibacterial activity, and the synthesized complexes were found to be more potent antimicrobial agents than APC against one or more microbial species.

  13. Crystal structure of calpain-3 penta-EF-hand (PEF) domain - a homodimerized PEF family member with calcium bound at the fifth EF-hand.

    PubMed

    Partha, Sarathy K; Ravulapalli, Ravikiran; Allingham, John S; Campbell, Robert L; Davies, Peter L

    2014-07-01

    Calpains are Ca(2+) dependent intracellular cysteine proteases that cleave a wide range of protein substrates to help implement Ca(2+) signaling in the cell. The major isoforms of this enzyme family, calpain-1 and calpain-2, are heterodimers of a large and a small subunit, with the main dimer interface being formed through their C-terminal penta-EF hand (PEF) domains. Calpain-3, or p94, is a skeletal muscle-specific isoform that is genetically linked to limb-girdle muscular dystrophy. Biophysical and modeling studies with the PEF domain of calpain-3 support the suggestion that full-length calpain-3 exists as a homodimer. Here, we report the crystallization of calpain-3's PEF domain and its crystal structure in the presence of Ca(2+) , which provides evidence for the homodimer architecture of calpain-3 and supports the molecular model that places a protease core at either end of the elongated dimer. Unlike other calpain PEF domain structures, the calpain-3 PEF domain contains a Ca(2+) bound at the EF5-hand used for homodimer association. Three of the four Ca(2+) -binding EF-hands of the PEF domains are concentrated near the protease core, and have the potential to radically change the local charge within the dimer during Ca(2+) signaling. Examination of the homodimer interface shows that there would be steric clashes if the calpain-3 large subunit were to try to pair with a calpain small subunit. Database Structural data are available in the Protein Data Bank database under accession number 4OKH. PMID:24846670

  14. [Renal functional reserve in children with a history of hemolytic uremic syndrome through technetium-99m diethylene-triamine-penta-acetic acid clearance].

    PubMed

    Bruno, Guillermo O A; Diéguez, Stella Maris; Voyer, Luis E

    2012-01-01

    Protein loads in normal subjects increase glomerular filtration rate (GFR), which implies a renal functional reserve (RFR). Patients who have suffered a loss in the number of nephrons may show normal values of GFR due to hyperfiltration of remnant nephrons, with subsequent loss of RFR. This could be an early sign of renal damage, and probably a contributory factor to renal damage progress. The objective of this study is to determine the RFR through technetium-99m diethylene-triamine-penta-acetic acid (99m Tc-DTPA) clearance in patients who have recovered from hemolytic uremic syndrome. Renal functional reserve was determined in 33 children from 2 to 16 years old, with normal values of proteinuria, serum creatinine and creatinine clearance after over a year of having suffered hemolitic uremic syndrome. For that purpose 99m Tc-DTPA clearance was determined in basal condition and following protein load. In 17 patients DTPA clearance increased 20% or more after protein load compared to basal condition, and they were considered to have normal RFR, a probably index of totally recovered renal function; in the remaining 16 patients the increases were lower than 20%, and were considered to have no RFR, condition that was postulated as a contributing factor to renal damage progress. There was not significant differences either in age or basal GFR between both groups. Being the test easier than inuline clearance and more accurate than creatinine clearance, it proves particularly useful for early diagnosis of patients that need special follow-up and treatment. PMID:22307424

  15. The hydrolyzable gallotannin, penta-O-galloyl-β-D-glucopyranoside, inhibits the formation of advanced glycation endproducts by protecting protein structure.

    PubMed

    Ma, Hang; Liu, Weixi; Frost, Leslie; Wang, Ling; Kong, Liwen; Dain, Joel A; Seeram, Navindra P

    2015-05-01

    Glycation is a spontaneous process initiated by a condensation reaction between reducing sugars and proteins that leads to the formation of advanced glycation endproducts (AGEs). The in vivo accumulation of AGEs is associated with several chronic human diseases and, thus, the search for AGE inhibitors is of great research interest. Hydrolyzable tannins (gallotannins and ellagitannins) are bioactive plant polyphenols which show promise as natural inhibitors of glycation and AGE formation. Notably, the gallotannin, 1,2,3,4,6-penta-O-galloyl-β-D-glucose (PGG), is a key intermediate involved in the biosynthesis of hydrolyzable tannins in plants. Herein, we investigated the effects of PGG on the individual stages of protein glycation and on protein structure (using bovine serum albumin; BSA). MALDI-TOF data demonstrated that PGG inhibited early glycation by 75% while the synthetic AGE inhibitor, aminoguanidine (AG), was not active (both at 50 μM). In addition, PGG reduced the formation of middle and late stage AGEs by 90.1 and 60.5%, respectively, which was superior to the positive control, AG. While glycation induced conformational changes in BSA from α-helix to β-sheets (from circular dichroism and congo red binding studies), PGG (at 50 μM) reduced this transition by 50%. Moreover, BSA treated with PGG was more stable in its structure and retained its biophysical properties (based on zeta potential and electrophoretic mobility measurements). The interaction between PGG and BSA was further supported by molecular docking studies. Overall, the current study adds to the growing body of data supporting the anti-AGE effects of hydrolyzable tannins, a ubiquitous class of bioactive plant polyphenols. PMID:25789915

  16. Penta-O-galloyl-β-D-glucose ameliorates inflammation by inhibiting MyD88/NF-κB and MyD88/MAPK signalling pathways

    PubMed Central

    Jang, Se-Eun; Hyam, Supriya R; Jeong, Jin-Ju; Han, Myung Joo; Kim, Dong-Hyun

    2013-01-01

    Background and Purpose The gallnut of Rhus chinensis MILL and its main constituent penta-O-galloyl-β-D-glucose (PGG) inhibited NF-κB activation in LPS-stimulated peritoneal and colonic macrophages. Here we have investigated PGG mechanisms underlying anti-inflammatory effects of PGG in vitro and in vivo. Experimental Approach Male C57BL/6 mice (18–22 g, 6 weeks old) were used to prepare peritoneal and colonic macrophages and for the induction of colitis by intrarectal administration of 2,3,4-trinitrobenzene sulphonic acid (TNBS). A range of inflammatory markers and transcription factors were evaluated by elisa, immunoblotting, flow cytometry and confocal microscopy. Key Results Expression of Toll-like receptor (TLR)-4 or Lipopolysaccharide (LPS) binding to TLR-4 in LPS-stimulated peritoneal macrophages was not affected by PGG. However PGG inhibited binding of an anti-MyD88 antibody to peritoneal macrophages, but did not reduce binding of anti–IL-1 receptor-associated kinase (IRAK1) and IRAK4 antibodies to the macrophages with or without transfection with MyD88 siRNA. PGG potently reduced the activation of IRAK1, NF-κB, and MAPKs in LPS- or pepetidoglycan-stimulated peritoneal and colonic macrophages. PGG suppressed IL-1β, TNF-α and IL-6 in LPS-stimulated peritoneal macrophages, while increasing expression of the anti-inflammatorycytokine IL-10. Oral administration of PGG inhibited colon shortening and myeloperoxidase activity in mice with TNBS-induced colitis, along with reducing NF-κB activation and IL-1β, TNF-α, and IL-6 levels, whereas it increased IL-10. Conclusions and Implications PGG reduced activation of NF-κB and MAPK signalling pathways by directly interacting with the MyD88 adaptor protein. PGG may ameliorate inflammatory diseases such as colitis. PMID:23941302

  17. Inverse method for simultaneous determination of soil water flux density and thermal properties with a penta-needle heat pulse probe

    NASA Astrophysics Data System (ADS)

    Yang, Changbing; Sakai, Masaru; Jones, Scott B.

    2013-09-01

    An accurate method for determination of in situ soil water flux density continues to be the most sought after and yet elusive hydrologic measurement. The penta-needle heat pulse probe (PHPP) employs a central heater needle surrounded by an orthogonal arrangement of four thermistor needles for two-component water flux density estimation. An analytical solution and inverse fitting method are presented for simultaneous estimation of thermal properties and soil water flux density using PHPP measurements. The approach yields estimates of both components of the flux in a plane normal to the axis of the PHPP needles. The method was evaluated using data measured by PHPPs in a laboratory experiment using a wide range of saturated water fluxes ranging from 1.2 to 33,200 cm d-1. Improved water flux density determination was achieved from zero-flux adjusted estimates of the apparent heater-thermistor radii, radj, which were used in the inverse analysis. Thermal diffusivity and conductivity were estimated with coefficients of variation less than 1.35%, indicating that the inverse problem is well posed and yields unique parameter estimates when water flux is less than 2000 cm d-1. Estimates of the x and y components of water flux density agreed well with measured water fluxes up to 7000 cm d-1 exhibiting R2 values greater than 0.976. Estimation of water flow direction based on 2-D water flux density was in good agreement with installation angle for water fluxes ranging from 10 to 7000 cm d-1.

  18. Opposing Effects of Cucurbit[7]uril and 1,2,3,4,6-Penta-O-galloyl-β-d-glucopyranose on Amyloid β25-35 Assembly.

    PubMed

    de Almeida, Natália E C; Do, Thanh D; Tro, Michael; LaPointe, Nichole E; Feinstein, Stuart C; Shea, Joan-Emma; Bowers, Michael T

    2016-02-17

    Alzheimer's disease (AD) is a neurodegenerative disease characterized by extracellular deposits of amyloid β protein (Aβ) in the brain. The conversion of soluble monomers to amyloid Aβ fibrils is a complicated process and involves several transient oligomeric species, which are widely believed to be highly toxic and play a crucial role in the etiology of AD. The development of inhibitors to prevent formation of small and midsized oligomers is a promising strategy for AD treatment. In this work, we employ ion mobility spectrometry (IMS), transmission electron microscopy (TEM), and molecular dynamics (MD) simulations to elucidate the structural modulation promoted by two potential inhibitors of Aβ oligomerization, cucurbit[7]uril (CB[7]) and 1,2,3,4,6-penta-O-galloyl-β-d-glucopyranose (PGG), on early oligomer and fibril formation of the Aβ25-35 fragment. One and two CB[7] molecules bind to Aβ25-35 monomers and dimers, respectively, and suppress aggregation by remodeling early oligomer structures and inhibiting the formation of higher-order oligomers. On the other hand, nonselective binding was observed between PGG and Aβ25-35. The interactions between PGG and Aβ25-35, surprisingly, enhanced the formation of Aβ aggregates by promoting extended Aβ25-35 conformations in both homo- and hetero-oligomers. When both ligands were present, the inhibitory effect of CB[7] overrode the stimulatory effect of PGG on Aβ25-35 aggregation, suppressing the formation of large amyloid oligomers and eliminating the structural conversion from isotropic to β-rich topologies induced by PGG. Our results provide mechanistic insights into CB[7] and PGG action on Aβ oligomerization. They also demonstrate the power of the IMS technique to investigate mechanisms of multiple small-molecule agents on the amyloid formation process. PMID:26629788

  19. Crystal structure of calpain-3 penta-EF-hand (PEF) domain - a homodimerized PEF family member with calcium bound at the fifth EF-hand

    SciTech Connect

    Partha, Sarathy K.; Ravulapalli, Ravikiran; Allingham, John S.; Campbell, Robert L.; Davies, Peter L.

    2014-08-21

    Calpains are Ca2+dependent intracellular cysteine proteases that cleave a wide range of protein substrates to help implement Ca2+ signaling in the cell. The major isoforms of this enzyme family, calpain-1 and calpain-2, are heterodimers of a large and a small subunit, with the main dimer interface being formed through their C-terminal penta-EF hand (PEF) domains. Calpain-3, or p94, is a skeletal muscle-specific isoform that is genetically linked to limb-girdle muscular dystrophy. Biophysical and modeling studies with the PEF domain of calpain-3 support the suggestion that full-length calpain-3 exists as a homodimer. Here, we report the crystallization of calpain-3's PEF domain and its crystal structure in the presence of Ca2+, which provides evidence for the homodimer architecture of calpain-3 and supports the molecular model that places a protease core at either end of the elongated dimer. Unlike other calpain PEF domain structures, the calpain-3 PEF domain contains a Ca2+ bound at the EF5-hand used for homodimer association. Three of the four Ca2+-binding EF-hands of the PEF domains are concentrated near the protease core, and have the potential to radically change the local charge within the dimer during Ca2+ signaling. Examination of the homodimer interface shows that there would be steric clashes if the calpain-3 large subunit were to try to pair with a calpain small subunit.

  20. Synthesis, structure, magnetic and biological activity studies of bis-hydrazone derived Cu(ii) and Co(ii) coordination compounds.

    PubMed

    Golla, Upendarrao; Adhikary, Amit; Mondal, Amit Kumar; Tomar, Raghuvir Singh; Konar, Sanjit

    2016-08-01

    Four coordination compounds of formulae [Cu(II)2(H2L(1))(HL(1))](ClO4)3·H2O (1), [Cu(II)2(H2L(2))(CH3OH)2](ClO4)2·2CH3OH (2), [Co(II)2(H2L(1))2](ClO4)4 (3) and [Co(II)2(H2L(2))2]·2H2O (4) were synthesized via self-assembly of succinohydrazone derived ligands (H2L(1) = N',N'-4-bis(2-pyridyl)succinohydrazide, H4L(2) = N',N'-4-bis(2-hydroxybenzylidene)succinohydrazide) and Cu(2+) and Co(2+) ions, respectively. The compounds were characterized by crystal structure determination, magnetic measurements and biological activities. Compounds 1, 3 and 4 have discrete double helicate structures, whereas compound 2 is a one-dimensional chain. Magnetic studies show antiferromagnetic exchange interactions in 2 with a J value of -67.1 cm(-1) and antiferromagnetic spin-canting in compound 3 originates through supramolecular H-bonding. For compound 3, a clear bifurcation was observed in zero field cooled (ZFC) and field cooled (FC) measurement at a temperature of 3.5 K and field of 0.1 T, implying long range magnetic ordering below this temperature. Interestingly, all of compounds 1-4 show significant changes in their absorption (hypo- and hyperchromism) in the presence of SS-DNA, inferring interaction between the compounds and DNA. In addition, compounds 1-4 significantly exhibited nuclease activities on both RNA and pUC19 plasmid DNA. Moreover, the nuclease activity was further enhanced in the presence of oxidant (H2O2) and suggests the possible role of reactive oxygen species in DNA nicking ability of compounds 1-4. Furthermore, compounds 1, 2 and 4 exhibited significant cytotoxicity against mammalian cancer cell lines (HeLa, A549 and MDAMB-231). In addition, our results from Annexin/PI staining and DNA fragmentation assays revealed that these compounds are capable of inducing apoptosis and have potential to act as anticancer drugs. PMID:27377047

  1. Ammonia-modified Co(II) sites in zeolites: spin and electron density redistribution through the Co(II)-NO bond.

    PubMed

    Stępniewski, Adam; Radoń, Mariusz; Góra-Marek, Kinga; Broclawik, Ewa

    2016-02-01

    Electronic factors essential for the bonding of a non-innocent NO ligand to ammonia-modified Co(2+) sites in cobalt-exchanged zeolites are examined for small cluster models using DFT and advanced correlated wave function calculations. The analysis of charge transfer processes between the NO ligand and the cobalt center involves two protocols: valence-bond expansion of the multiconfiguration CASSCF wave function (in terms of fragment-localized active orbitals) and spin-resolved natural orbitals for chemical valence (SR-NOCV). Applicability of SR-NOCV analysis to transition metal complexes involving non-innocent fragments is critically assessed and the approach based on the CASSCF wave function turns out to be much more robust and systematic for all studied models. It is shown that the character and direction of electron density redistribution through the Co-N-O bond, quantified by relative share of the Co(II)-NO(0), Co(III)-NO(-), and Co(I)-NO(+) resonance structures in the total wave function, fully rationalize the activation of the N-O bond upon NH3 co-ligation (evidenced by calculated and measured red-shift of the NO stretching frequency and commonly ascribed to enhanced backdonation). The huge red-shift of νN-O is attributed to an effective electron transfer between the ammonia-modified Co(ii) centers and the NO antibonding π*-orbitals (related to the increased share of the Co(III)-NO(-) form). Unexpectedly, the effect is stronger for the singlet complex with three NH3 ligands than for that with five NH3 ligands bound to the cobalt center. Our results also indicate that high-efficiency electron transfers between the Co(ii) center and the NO ligand may be enabled for the selected spin state and disabled for the other spin state of the adduct. This illustrates how the cobalt center may serve to fine-tune the electronic communication between the NO ligand and its binding site. PMID:26761131

  2. Synthesis, characterization and in vitro antimicrobial studies of Co(II), Ni(II) and Cu(II) complexes derived from macrocyclic compartmental ligand.

    PubMed

    El-Gammal, O A; Bekheit, M M; El-Brashy, S A

    2015-02-25

    New Co(II), Ni(II) and Cu(II) complexes derived from tetradentate macrocyclic nitrogen ligand, (1E,4E,8E,12E)-5,8,13,16-tetramethyl-1,4,9,12-tetrazacyclohexadeca-4,8,12,16-tetraene (EDHDH) have been synthesized. The complexes have been characterized by elemental analysis, spectral (IR, UV-Vis, (1)H NMR and ESR (for Cu(II) complex)) mass, and magnetic as well as thermal analysis measurements. The complexes afforded the formulae: [Cu(EDHDH)Cl2]·2EtOH and [M(EDHDH)X2]·nH2O where M=Co(II) and Ni(II), X=Cl(-) or OH(-), n=1,0, respectively. The data revealed an octahedral arrangement with N4 tetradentate donor sites in addition to two Cl atoms occupying the other two sites. ESR spectrum of Cu(2+) complex confirmed the suggested geometry with values of a α(2)and β(2) indicating that the in-plane σ-bonding and in-plane π-bonding are appreciably covalent, and are consistent with very strong σ-in-plane bonding in the complexes. The molecular modeling is drawn and showed the bond length, bond angle, chemical reactivity, energy components (kcal/mol) and binding energy (kcal/mol) for all the title compounds using DFT method. Also, the thermal behavior and the kinetic parameters of degradation were determined using Coats-Redfern and Horowitz-Metzger methods. Moreover, the in vitro antibacterial studies of all compounds screened against pathogenic bacteria (two Gram +ve and two Gram -ve) to assess their inhibiting potential. The assay indicated that the inhibition potential is metal ion dependent. The ligand, EDHDH, Co(II) and Cu(II) complexes exhibited a remarkable antibacterial activity against Streptococcus Pyogenes as Gram +ve and Proteus vulgaris as Gram -ve bacterial strains. On the other hand, Ni(II) complex revealed a moderate antibacterial activity against both Gram +ve organisms and no activity against Gram -ve bacterial strain. PMID:25218230

  3. Chelating agent free-solid phase extraction (CAF-SPE) of Co(II), Cu(II) and Cd(II) by new nano hybrid material (ZrO2/B2O3).

    PubMed

    Yalçinkaya, Ozcan; Kalfa, Orhan Murat; Türker, Ali Rehber

    2011-11-15

    New nano hybrid material (ZrO(2)/B(2)O(3)) was synthesized and applied as a sorbent for the separation and/or preconcentration of Co(II), Cu(II) and Cd(II) in water and tea leaves prior to their determination by flame atomic absorption spectrometry. Synthesized nano material was characterized by scanning electron microscope, transmission electron microscope and X-ray diffraction. The optimum conditions for the quantitative recovery of the analytes, including pH, eluent type and volume, flow rate of sample solution were examined. The effect of interfering ions was also investigated. Under the optimum conditions, adsorption isotherms and adsorption capacities have been examined. The recoveries of Co(II), Cu(II) and Cd(II) were 96 ± 3%, 95 ± 3%, 98 ± 4% at 95% confidence level, respectively. The analytical detection limits for Co(II), Cu(II), and Cd(II) were 3.8, 3.3, and 3.1 μg L(-1), respectively. The reusability and adsorption capacities (32.2 mg g(-1) for Co, 46.5 mg g(-1) for Cu and 109.9 mg g(-1) for Cd) of the sorbent were found as satisfactory. The accuracy of the method was confirmed by analyzing certified reference material (GBW-07605 Tea leaves) and spiked real samples. The method was applied for the determination of analytes in tap water and tea leaves. PMID:21889841

  4. Theoretical and experimental studies on three new coordination complexes of Co(II), Ni(II), and Cu(II) with 2,4-dichloro-6-{(E)-[(5-chloro-2 sulfanylphenyl)imino]methyl}phenol Schiff base ligand.

    PubMed

    Kusmariya, Brajendra S; Mishra, A P

    2015-11-01

    Three mononuclear coordination complexes of Co(II), Ni(II), and Cu(II) have been synthesized from 2,4-dichloro-6-{(E)-[(5-chloro-2-sulfanylphenyl)imino]methyl}phenol ligand (H 2 L) obtained by simple condensation reaction of 3,5-dichloro-2-hydroxybenzaldehyde and 2-amino-4-chlorobenzenethiol and characterized by elemental analysis, spectral (FT-IR, electronic, and (1)H-NMR), molar conductance, thermal, SEM, PXRD, and fluorescence studies. The PXRD analysis and SEM-EDX micrographs show the crystalline nature of complexes. The domain size and the lattice strain of synthesized compounds have been determined according to Williamson-Hall plot. TG of the synthesized complexes illustrates the general decomposition pattern of the complexes. The ligand exhibits an interesting fluorescence property which is suppressed after complex formation. The Co(II) complex adopted a distorted octahedral configuration while Ni(II) and Cu(II) complexes showed square planar geometry around metal center. The geometry optimization, HOMO-LUMO, molecular electrostatic potential map (MEP), and spin density of synthesized compounds have been performed by density functional theory (DFT) method using B3LYP/6-31G and B3LYP/LANL2DZ as basis set. Graphical abstract Three new coordination complexes of Co(II), Ni(II) and Cu(II) with 2,4-dichloro-6-{(E)-[(5-chloro-2 sulfanylphenyl)imino]methyl}phenol Schiff base ligand. PMID:26438445

  5. Poly[tetra­kis­(seleno­cyanato-κN)bis­(methanol-κO)tris­(μ-pyrimidine-κ2 N:N′)dicobalt(II)

    PubMed Central

    Wriedt, Mario; Jess, Inke; Näther, Christian

    2010-01-01

    In the title compound, [Co2(NCSe)4(C4H4N2)3(CH3OH)2]n, the CoII ion is coordinated by three N-bonded pyrimidine ligands, two N-bonded seleno­cyanate anions and one O-bonded methanol mol­ecule in an octa­hedral coordination mode. The asymmetric unit consists of one CoII ion, one pyrimidine ligand, two seleno­cyanate anions and one methanol mol­ecule in general positions as well as one pyrimidine ligand located around a twofold rotation axis. In the crystal structure, the pyrimidine ligands bridge [Co(CNSe)2(CH3OH)] units into zigzag-like chains, which are further connected by pyrimidine ligands into layers parallel to (010). PMID:21587681

  6. Do TETRA (Airwave) Base Station Signals Have a Short-Term Impact on Health and Well-Being? A Randomized Double-Blind Provocation Study

    PubMed Central

    Wallace, Denise; Eltiti, Stacy; Ridgewell, Anna; Garner, Kelly; Russo, Riccardo; Sepulveda, Francisco; Walker, Stuart; Quinlan, Terence; Dudley, Sandra; Maung, Sithu; Deeble, Roger; Fox, Elaine

    2010-01-01

    Background “Airwave” is the new communication system currently being rolled out across the United Kingdom for the police and emergency services, based on the Terrestrial Trunked Radio Telecommunications System (TETRA). Some police officers have complained about skin rashes, nausea, headaches, and depression as a consequence of using their Airwave handsets. In addition, a small subgroup in the population self-report being sensitive to electromagnetic fields (EMFs) in general. Objectives We conducted a randomized double-blind provocation study to establish whether short-term exposure to a TETRA base station signal has an impact on the health and well-being of individuals with self-reported “electrosensitivity” and of participants who served as controls. Methods Fifty-one individuals with self-reported electrosensitivity and 132 age- and sex-matched controls participated in an open provocation test; 48 sensitive and 132 control participants went on to complete double-blind tests in a fully screened semianechoic chamber. Heart rate, skin conductance, and blood pressure readings provided objective indices of short-term physiological response. Visual analog scales and symptom scales provided subjective indices of well-being. Results We found no differences on any measure between TETRA and sham (no signal) under double-blind conditions for either controls or electrosensitive participants, and neither group could detect the presence of a TETRA signal at rates greater than chance (50%). When conditions were not double blind, however, the self-reported electrosensitive individuals did report feeling worse and experienced more severe symptoms during TETRA compared with sham. Conclusions Our findings suggest that the adverse symptoms experienced by electrosensitive individuals are due to the belief of harm from TETRA base stations rather than to the low-level EMF exposure itself. PMID:20075020

  7. (2,3,5,6-Tetra­fluoro­phenolato)[5,10,15,20-tetra­kis­(4-meth­oxy­phen­yl)porphyrinato]iron(III) cyclo­hexane monosolvate

    PubMed Central

    Xu, Nan; Powell, Douglas R.; Richter-Addo, George B.

    2013-01-01

    The title compound, [Fe(C6HF4O)(C48H36N4O4)]·C6H12, represents a five-coordinate iron(III) porphyrin complex in a square-pyramidal geometry with a tetra­fluoro­phenolate anion as the axial ligand. The FeIII atom is displaced by 0.364 (2) Å from the 24-atom mean plane of the porphyrinate ring towards the tetra­fluoro phenolate anion. The average Fe—N distance is 2.053 (2) Å and the Fe—O distance is 1.883 (2) Å. A porphyrin aryl H atom points in the general direction of the phenoxide ring. The mean plane separation between the 24-atom porphyrin planes of two adjacent porphyrin rings is ∼3.7 Å, and the lateral shift is ∼3.5 Å resu, ting in an Fe⋯Fe separation of 5.6167 (14) Å. PMID:24098166

  8. Di-μ-hydroxido-bis­[hemiaqua­(N,N,N′,N′-tetra­methyl­ethane-1,2-diamine)­copper(II)] bis­(tetra­fluoridoborate)

    PubMed Central

    Haníková, Jaroslava; Kuchár, Juraj; Trávníček, Zdeněk; Černák, Juraj

    2012-01-01

    The title compound, [Cu2(OH)2(C6H16N2)2(H2O)](BF4)2, consists of dinuclear centrosymmetric [Cu2(OH)2(tmen)2(H2O)]2+ complex cations (tmen = N,N,N′,N′-tetra­methyl­ethane-1,2-diamine) and tetra­fluoridoborate anions. In the cation, the CuII atom shows a slightly distorted square-pyramidal coordination geometry provided by a pair of μ-OH− anions and by the N atoms of a chelate tmen ligand in the basal plane. The apical position is statistically occupied by the O atom of a half-occupancy water mol­ecule. The F atoms of the anion are disordered over three sets of sites with occupancies of 0.598 (9):0.269 (6):0.134 (8). The crystal packing is governed by ionic forces as well as by O—H⋯F hydrogen bonds. PMID:22719335

  9. Crystal structure of 2-di­methyl­amino-1-eth­oxy­carbonyl-3-methyl-3,4,5,6-tetra­hydro­pyrimidin-1-ium tetra­phenyl­borate

    PubMed Central

    Tiritiris, Ioannis; Kantlehner, Willi

    2015-01-01

    The asymmetric unit of the title salt, C10H20N3O2 +·C24H20B−, contains two cations and two tetra­phenyl­borate ions. The C—N bond lengths in the central CN3 unit of the guanidinium ions range between 1.323 (2) and 1.381 (2) Å, indicating partial double-bond character. The central C atoms are bonded to the three N atoms in a nearly ideal trigonal–planar geometry and the positive charge is delocalized in the CN3 plane. The cationic six-membered rings are nonplanar, the dihedral angles between the N/C/N and C/C/C planes ranging from 45.8 (1) to 53.6 (1)°. In the crystal, C—H⋯π inter­actions are present between the guanidinium H atoms and the phenyl rings of the tetra­phenyl­borate ions. The phenyl rings form aromatic pockets, in which the guanidinium ions are embedded. PMID:26594585

  10. Hydrogen Permeability of a Polymer Based Composite Tank Material Under Tetra-Axial Strain

    NASA Technical Reports Server (NTRS)

    Stokes, Eric H.

    2003-01-01

    of the microcracks in the material. This paper documents the results of hydrogen permeability testing on a Bismaleimide (BMI) based graphite fiber composite material under a variety of tetra-axial strain states.

  11. Methyl tetra-O-acetyl-α-D-glucopyranuronate: crystal structure and influence on the crystallisation of the β anomer.

    PubMed

    Hayes, John A; Eccles, Kevin S; Lawrence, Simon E; Moynihan, Humphrey A

    2016-04-29

    Methyl tetra-O-acetyl-β-D-glucopyranuronate (1) and methyl tetra-O-acetyl-α-D-glucopyranuronate (3) were isolated as crystalline solids and their crystal structures were obtained. That of the β anomer (1) was the same as that reported by Root et al., while anomer (3) was found to crystallise in the orthorhombic space group P212121 with two independent molecules in the asymmetric unit. No other crystal forms were found for either compound upon recrystallisation from a range of solvents. The α anomer (3) was found to be an impurity in initially precipitated batches of β-anomer (1) in quantities <3%; however, it was possible to remove the α impurity either by recrystallisation or by efficient washing, i.e. the α anomer is not incorporated inside the β anomer crystals. The β anomer (1) was found to grow as prisms or needles elongated in the a crystallographic direction in the absence of the α impurity, while the presence of the α anomer (3) enhanced this elongation. PMID:27031190

  12. A study on chemical composition and detection of chemical adulteration in tetra pack milk samples commercially available in Multan.

    PubMed

    Awan, Adeela; Naseer, Misbah; Iqbal, Aasfa; Ali, Muhammad; Iqbal, Rehana; Iqbal, Furhan

    2014-01-01

    The aim of this study was to analyze and compare the chemical composition of 8 tetra pack milk samples, Olpers (S1), Haleeb (S2), Good milk (S3), Everyday (S4), Milk Pack (S5), Dairy Queen (S6), Dairy Umang (S7), Nurpur (S8) available in local markets and to detect the presence of various chemical adulterants in tetra pack milk samples in Southern Punjab (Pakistan). Density, pH, solid not fat, total solids, lactometer reading, specific gravity and fat contents were analyzed to determine the chemical composition of milk samples. Our results revealed that all the studied parameters had statistically non significant differences (P>0.05) except total fat in milk samples which was significantly different (P=0.03) among the 8 studied milk samples. Presence of a number of chemical adulterants, formalin, cane sugar, starch, glucose, ammonium sulphate, salt, pulverized soap, detergents, skim milk powder, benzoic acid, salicylic acid, borax, boric acid and alkalinity were also detected in milk samples following standard procedures. Results indicated that formalin, cane sugar, glucose, alkalinity and benzoic acid were present in all samples while salt test was positive only for Olper milk. All other studied adulterants were not detected in 8 milk samples under study. % fat was the only significantly different feature among the studied milk quality parameters with S8 containing lowest while S5 having the maximum % fat. PMID:24374447

  13. tetra neutron system studied by exothermic double-charge exchange reaction 4He(8He, 8Be)4n

    NASA Astrophysics Data System (ADS)

    Kisamori, Keiichi; Sharaq06 Collaboration

    2014-09-01

    A possible existence of the tetra-neutron system as a resonance state is still an open and fascinating question, while theoretical papers using ab-initio calculation suggests that the bound tetra-neutron does not exist. We have performed a missing-mass spectroscopy of the 4n system via the exothermic double-charge exchange reaction 4He(8He,8Be)4n. The experiment was carried out at the RIBF at RIKEN using the SHARAQ spectrometer and the liquid He target system. Since the secondary beam, 8He at 190A MeV, has a large internal energy, it is possible to produce the 4n system in small momentum transfers of less than 20 MeV/c. In the present analysis, a new analytical framework to treat multi-particles under high beam rate condition (2 MHz) was developed for good statistics. At the SHARAQ spectrometer, 8Be can be identified by measuring the invariant mass of the coincident two-alpha particle with a good signal-to-noise ratio. About several tens of candidate events are obtained above the 4n threshold. We will show the preliminary result of missing-msss spectrum and discuss the shape of spectrum.

  14. The synthesis and characterization of nonperipherally tetra terminal alkynyl substituted phthalocyanines and glycoconjugation via the click reaction.

    PubMed

    Kanat, Zeliha; Dinçer, Hatice

    2014-06-21

    In order to obtain nonperipherally tetra terminal alkynyl substituted phthalocyanines (Pcs), new 3-pent-4-ynyloxy phthalonitrile (3) was prepared by the nucleophilic displacement reaction of 3-nitrophthalonitrile (1) and 4-pentyn-1-ol (2) and then cyclotetramerization was attained in the presence of zinc acetate, cobalt acetate, and/or DBU in n-pentanol without protection/deprotection. For the first time, the glycoconjugation of the nonperipherally tetra terminal alkynyl substituted zinc phthalocyanine (ZnPc) (6) can be easily achieved via the click reaction in a high yield. The electronic absorption spectrum of the glucopyranosyl substituted ZnPc (10) derivative showed a red-shifted Q band at 751 nm in dichloromethane due to the protonation of the meso nitrogens of the Pc macrocycle. Deacylation yielded ZnPc (11) bearing glucose substituents at nonperipheral positions with an improved water-solubility and non-aggregation in DMSO. The chemical structures of the new compounds were characterized by (1)H NMR, (13)C NMR, FT-IR, UV-Vis, mass spectrometry and elemental analysis. Moreover, the phthalonitrile compound was characterized using X-ray. PMID:24763524

  15. The visible light degradation activity and the photocatalytic mechanism of tetra(4-carboxyphenyl) porphyrin sensitized TiO{sub 2}

    SciTech Connect

    Wang, Huigang; Zhou, Dongmei; Wu, Zhangzhu; Wan, Junmin; Zheng, Xuming; Yu, Lihong; Phillips, David Lee

    2014-09-15

    Highlights: • Tetra(4-carboxyphenyl) porphyrin were chemically sensitized on TiO{sub 2}. • S2–S0 fluorescence intensity is enhanced and lifetime prolonged noticeably by TiO{sub 2}. • The TCPP-TiO{sub 2} exhibits better photoactivity under visible light than that of TiO{sub 2}. • The electronic relaxation dynamics is presented, catalytic mechanism is discussed. • Adsorption and photo degradation of MB were systematically investigated. - Abstract: Tetra(4-carboxyphenyl) porphyrin(TCPP) were chemically sensitized on TiO{sub 2} to act as visible light antenna and to modify the photoresponse properties of TiO{sub 2} particles, their properties of photo-generated holes and electrons were studied by transient absorption spectroscopes. The time-correlated single-photon counting (TCSPC) technique revealed that the S2–S0 fluorescence intensity of TCPP is enhanced noticeably by TiO{sub 2}, and the lifetime prolonged. Adsorption and photo degradation of methylene blue (MB) over TCPP-TiO{sub 2} were systematically investigated. Moreover the overall picture of electronic relaxation dynamics for TCPP-TiO{sub 2} is presented, and the detailed short-time dynamics for visible-light induced catalytic mechanism was discussed. The development of the porphyrin-based photocatalyst provides an alternative approach in harnessing solar visible light and show promising prospect for the treatment of dye pollutants from wastewaters in future industrial application.

  16. Oxygen Activation by Co(II) and a Redox Non-Innocent Ligand: Spectroscopic Characterization of a Radical-Co(II)-Superoxide Complex with Divergent Catalytic Reactivity.

    PubMed

    Corcos, Amanda R; Villanueva, Omar; Walroth, Richard C; Sharma, Savita K; Bacsa, John; Lancaster, Kyle M; MacBeth, Cora E; Berry, John F

    2016-02-17

    Bimetallic (Et4N)2[Co2(L)2], (Et4N)2[1] (where (L)(3-) = (N(o-PhNC(O)(i)Pr)2)(3-)) reacts with 2 equiv of O2 to form the monometallic species (Et4N)[Co(L)O2], (Et4N)[3]. A crystallographically characterized analog (Et4N)2[Co(L)CN], (Et4N)2[2], gives insight into the structure of [3](1-). Magnetic measurements indicate [2](2-) to be an unusual high-spin Co(II)-cyano species (S = 3/2), while IR, EXAFS, and EPR spectroscopies indicate [3](1-) to be an end-on superoxide complex with an S = 1/2 ground state. By X-ray spectroscopy and calculations, [3](1-) features a high-spin Co(II) center; the net S = 1/2 spin state arises after the Co electrons couple to both the O2(•-) and the aminyl radical on redox non-innocent (L(•))(2-). Dianion [1](2-) shows both nucleophilic and electrophilic catalytic reactivity upon activation of O2 due to the presence of both a high-energy, filled O2(-) π* orbital and an empty low-lying O2(-) π* orbital in [3](1-). PMID:26799113

  17. Synthesis, DFT Calculation, and Antimicrobial Studies of Novel Zn(II), Co(II), Cu(II), and Mn(II) Heteroleptic Complexes Containing Benzoylacetone and Dithiocarbamate

    PubMed Central

    Ekennia, Anthony C.; Onwudiwe, Damian C.; Olasunkanmi, Lukman O.; Osowole, Aderoju A.; Ebenso, Eno E.

    2015-01-01

    Heteroleptic complexes of zinc(II), copper(II), manganese(II), and cobalt(II) of the types [MLL′(H2O)2]·nH2O and [MLL′]·nH2O have been synthesized using sodium N-methyl-N-phenyldithiocarbamate (L) and benzoylacetone (L′). The metal complexes were characterized by elemental analysis, electrical conductance, magnetic susceptibility, infrared (IR), and UV-visible spectroscopic studies. The electrical conductance measurements revealed the nonelectrolytic nature of the synthesized complexes. The results of the elemental analyses, magnetic susceptibility measurements, and electronic spectra inferred that the Zn(II) complex adopted a four-coordinate geometry while the Co(II), Cu(II), and Mn(II) complexes assumed octahedral geometries. The IR spectra showed that the metal ions coordinated with the ligands via the S- and O-donor atoms. The geometry, electronic, and thermodynamic parameters of the complexes were obtained from density functional theory (DFT) calculations. The spin density distributions, relative strength of H–bonds, and thermodynamic parameters revealed that the order of stability of the metal complexes is Mn < Co < Cu > Zn. The agar diffusion methods were used to study the antimicrobial activity of the complexes against two Gram positive bacteria (S. aureus and S. pneumoniae), one Gram negative bacterium (E. coli), and two fungi organisms (A. niger and A. candida) and the complexes showed a broad spectrum of activities against the microbes. PMID:26681931

  18. Synthesis, characterization, antibacterial activities and carbonic anhydrase enzyme inhibitor effects of new arylsulfonylhydrazone and their Ni(II), Co(II) complexes

    NASA Astrophysics Data System (ADS)

    Özdemir, Ümmühan Özmen; Arslan, Fatma; Hamurcu, Fatma

    2010-01-01

    Ethane sulfonic acide hydrazide ( esh: CH 3CH 2SO 2NHNH 2) derivatives as 5-methylsalicyl-aldehydeethanesulfonylhydrazone ( 5msalesh), 5-methyl-2-hydroxyacetophenoneethane sulfonylhydrazone ( 5mafesh) and their Ni(II), Co(II) complexes have been synthesized for the first time. The structure of these compounds has been investigated by elemental analysis, FT-IR, 1H NMR, 13C NMR, LC/MS, UV-vis spectrophotometric method, magnetic susceptibility, thermal studies and conductivity measurements. The antibacterial activities of synthesized compounds were studied against Gram positive bacteria; Staphylococcus aureus, Bacillus subtilis, Bacillus magaterium and Gram negative bacteria; Salmonella enteritidis, Escherichia coli by using the microdilution broth method. The biological activity screening showed that ligands have more activity than complexes against the tested bacteria. The inhibition activities of these compounds on carbonic anhydrase II (CA II) have been investigated by comparing IC 50 and Ki values and it has been found that 5msalesh and its complexes have more enzyme inhibition efficiency than other compounds.

  19. Co(II), Ce(III) and UO 2(VI) bis-salicylatothiosemicarbazide complexes . Binary and ternary complexes, thermal studies and antimicrobial activity

    NASA Astrophysics Data System (ADS)

    El-Wahab, Z. H. Abd; Mashaly, Mahmoud M.; Salman, A. A.; El-Shetary, B. A.; Faheim, A. A.

    2004-10-01

    A series of new metal complexes of Co(II), Ce(III) and UO 2(VI), with the Schiff base ligand, H 2L, bis-salicylatothiosemicarbazide have been prepared in presence of different molar ratios of LiOH·H 2O as a deprotonating agent. Also, the ternary complexes were prepared by using 2-aminopyridine (2-Ampy) or oxalic acid (Ox) as a secondary ligand. All synthesized compounds were identified and confirmed by elemental analyses, molar conductivities, spectral (UV-Vis, IR, 1H NMR, mass) and magnetic moment measurements as well as TG-DSC technique. The changes in the selected vibrational absorption bands in IR and NMR spectra of the Schiff base ligand upon coordination indicate that, the ligand behaves as a neutral, monoanionic and/or dianionic tetradentate manner with ONNO donor sites. Conductance measurements suggest the non-electrolytic and 1:1 electrolytic nature of the metal complexes. Thermal studies suggest a mechanism for degradation of the metal complexes as function of temperature supporting the chelation modes, moreover, show the possibility of obtaining new complexes pyrolytically in the solid state which cannot be synthesized from solution. Antimicrobial screening of the free ligand and its binary complexes showed that, the free ligand and some metal complexes possess antimicrobial activities towards four type of bacteria and five types of fungi and these results were compared with eleven type of known antibiotics.

  20. Synthesis, characterization, biological activity of binuclear Co(II), Cu(II) and mononuclear Ni(II) complexes of bulky multi-dentate thiosemicarbazide

    NASA Astrophysics Data System (ADS)

    El-Gammal, O. A.; Abd Al-Gader, I. M.; El-Asmy, A. A.

    2014-07-01

    The chelation behavior of 9,10-dihydro-9,10-ethanoanthracene-11,12-dicarbonyl) bis (N-ethylhydrazine-1-carbothioamide) (H6ETS)(1) towards Co2+, Ni2+and Cu2+ have been studied. The spectral data revealed that the ligand acts as a bi- and/or mono-negative multi-dentate. The isolated Ni(II) and Cu(II) complexes are square-planar while the Co(II) is tetrahedral. EPR spectrum of Cu(II) complex confirmed simulated an axial spin-Hamiltonian exhibiting a four-line pattern with nitrogen super-hyperfine couplings originating from imine hydrazinic nitrogen atoms and possess a significant amount of tetrahedral distortion leading to a pseudo-square-planar geometry with unpaired electron has d ground state. Also, the thermal behavior and kinetic parameters were determined. Furthermore, the title compounds were investigated for their antibacterial activity using inhibition zone diameter and for DNA degradation, superoxide-scavenging activity as well as hydroxyl radicals that generated by the oxidation of cytochrome c in L-ascorbic acid/CuSO4-cytochrome c system.

  1. Suppressing of slow magnetic relaxation in tetracoordinate Co(II) field-induced single-molecule magnet in hybrid material with ferromagnetic barium ferrite.

    PubMed

    Nemec, Ivan; Herchel, Radovan; Trávníček, Zdeněk

    2015-01-01

    The novel field-induced single-molecule magnet based on a tetracoordinate mononuclear heteroleptic Co(II) complex involving two heterocyclic benzimidazole (bzi) and two thiocyanido ligands, [Co(bzi)2(NSC)2], (CoL4), was prepared and thoroughly characterized. The analysis of AC susceptibility data resulted in the spin reversal energy barrier U = 14.7 cm(-1), which is in good agreement with theoretical prediction, U(theor). = 20.2 cm(-1), based on axial zero-field splitting parameter D = -10.1 cm(-1) fitted from DC magnetic data. Furthermore, mutual interactions between CoL4 and ferromagnetic barium ferrite BaFe12O19 (BaFeO) in hybrid materials resulted in suppressing of slow relaxation of magnetization in CoL4 for 1:2, 1:1 and 2:1 mass ratios of CoL4 and BaFeO despite the lack of strong magnetic interactions between two magnetic phases. PMID:26039085

  2. Suppressing of slow magnetic relaxation in tetracoordinate Co(II) field-induced single-molecule magnet in hybrid material with ferromagnetic barium ferrite

    PubMed Central

    Nemec, Ivan; Herchel, Radovan; Trávníček, Zdeněk

    2015-01-01

    The novel field-induced single-molecule magnet based on a tetracoordinate mononuclear heteroleptic Co(II) complex involving two heterocyclic benzimidazole (bzi) and two thiocyanido ligands, [Co(bzi)2(NSC)2], (CoL4), was prepared and thoroughly characterized. The analysis of AC susceptibility data resulted in the spin reversal energy barrier U = 14.7 cm−1, which is in good agreement with theoretical prediction, Utheor. = 20.2 cm−1, based on axial zero-field splitting parameter D = −10.1 cm−1 fitted from DC magnetic data. Furthermore, mutual interactions between CoL4 and ferromagnetic barium ferrite BaFe12O19 (BaFeO) in hybrid materials resulted in suppressing of slow relaxation of magnetization in CoL4 for 1:2, 1:1 and 2:1 mass ratios of CoL4 and BaFeO despite the lack of strong magnetic interactions between two magnetic phases. PMID:26039085

  3. DNA Binding, Cleavage and Antibacterial Activity of Mononuclear Cu(II), Ni(II) and Co(II) Complexes Derived from Novel Benzothiazole Schiff Bases.

    PubMed

    Vamsikrishna, Narendrula; Kumar, Marri Pradeep; Tejaswi, Somapangu; Rambabu, Aveli; Shivaraj

    2016-07-01

    A series of novel bivalent metal complexes M(L1)2 and M(L2)2 where M = Cu(II), Ni(II), Co(II) and L1 = 2-((benzo [d] thiazol-6-ylimino)methyl)-4-bromophenol [BTEMBP], L2 = 1-((benzo [d] thiazol-6-ylimino)methyl) naphthalen-2-ol [BTEMNAPP] were synthesized. All the compounds have been characterized by elemental analysis, SEM, Mass, (1)H NMR, (13)C NMR, UV-Vis, IR, ESR, spectral data and magnetic susceptibility measurements. Based on the analytical and spectral data four-coordinated square planar geometry is assigned to all the complexes. DNA binding properties of these complexes have been investigated by electronic absorption spectroscopy, fluorescence and viscosity measurements. It is observed that these binary complexes strongly bind to calf thymus DNA by an intercalation mode. DNA cleavage efficacy of these complexes was tested in presence of H2O2 and UV light by gel electrophoresis and found that all the complexes showed better nuclease activity. Finally the compounds were screened for antibacterial activity against few pathogens and found that the complexes have potent biocidal activity than their free ligands. PMID:27165038

  4. A Mononuclear Co(II) Coordination Complex Locked in a Confined Space and Acting as an Electrochemical Water-Oxidation Catalyst: A "Ship-in-a-Bottle" Approach.

    PubMed

    Manna, Paulami; Debgupta, Joyashish; Bose, Suranjana; Das, Samar K

    2016-02-12

    Preparing efficient and robust water oxidation catalyst (WOC) with inexpensive materials remains a crucial challenge in artificial photosynthesis and for renewable energy. Existing heterogeneous WOCs are mostly metal oxides/hydroxides immobilized on solid supports. Herein we report a newly synthesized and structurally characterized metal-organic hybrid compound [{Co3 (μ3 -OH)(BTB)2(dpe)2} {Co(H2O)4(DMF)2}0.5]n ⋅n H2O(Co-WOC-1) as an effective and stable water-oxidation electrocatalyst in an alkaline medium. In the crystal structure of Co-WOC-1, a mononuclear Co(II) complex {Co(H2O)4(DMF)2}(2+) is encapsulated in the void space of a 3D framework structure and this translationally rigid complex cation is responsible for a remarkable electrocatalytic WO activity, with a catalytic turnover frequency (TOF) of 0.05 s(-1) at an overpotential of 390 mV (vs. NHE) in 0.1 m KOH along with prolonged stability. This host-guest system can be described as a "ship-in-a-bottle", and is a new class of heterogeneous WOC. PMID:26757444

  5. MtDNA COI-COII marker and drone congregation area: an efficient method to establish and monitor honeybee (Apis mellifera L.) conservation centres.

    PubMed

    Bertrand, Bénédicte; Alburaki, Mohamed; Legout, Hélène; Moulin, Sibyle; Mougel, Florence; Garnery, Lionel

    2015-05-01

    Honeybee subspecies have been affected by human activities in Europe over the past few decades. One such example is the importation of nonlocal subspecies of bees which has had an adverse impact on the geographical repartition and subsequently on the genetic diversity of the black honeybee Apis mellifera mellifera. To restore the original diversity of this local honeybee subspecies, different conservation centres were set up in Europe. In this study, we established a black honeybee conservation centre Conservatoire de l'Abeille Noire d'Ile de France (CANIF) in the region of Ile-de-France, France. CANIF's honeybee colonies were intensively studied over a 3-year period. This study included a drone congregation area (DCA) located in the conservation centre. MtDNA COI-COII marker was used to evaluate the genetic diversity of CANIF's honeybee populations and the drones found and collected from the DCA. The same marker (mtDNA) was used to estimate the interactions and the haplotype frequency between CANIF's honeybee populations and 10 surrounding honeybee apiaries located outside of the CANIF. Our results indicate that the colonies of the conservation centre and the drones of the DCA show similar stable profiles compared to the surrounding populations with lower level of introgression. The mtDNA marker used on both DCA and colonies of the conservation centre seems to be an efficient approach to monitor and maintain the genetic diversity of the protected honeybee populations. PMID:25335970

  6. Coligand-regulated assembly, fluorescence, and magnetic properties of Co(II) and Cd(II) complexes with a non-coplanar dicarboxylate

    NASA Astrophysics Data System (ADS)

    Xin, Ling-Yun; Liu, Guang-Zhen; Ma, Lu-Fang; Wang, Li-Ya

    2013-10-01

    A non-coplanar dicarboxylate ndca (H2ndca=5-norbornene-2,3-dicarboxylic acid), combining with various dipyridyl-typed tectons, constructs six Cd(II)/Co(II) coordination polymers under hydrothermal conditions, namely [Co(ndca)(H2O)]n (1), {[Co(ndca)(bpe)(H2O)]·H2O}n (2), [Co(ndca)(bpa)0.5(H2O)]n (3), [Cd(ndca)(bpe)(H2O)]n (4), {[Cd(ndca)(bpa)(H2O)]·0.5H2O}n (5), and {[Cd(ndca)(bpp) (H2O)]·H2O}n (6) (bpe=1,2-di(4-pyridyl)ethylene, bpa=1,2-bi(4-pyridyl)ethane, and bpp=1,3-bis(4-pyridyl)propane). All these compounds contain various metal(II)-carboxylate motifs, including carboxylate binuclear (2, 4, 5), carboxylate chain (1, 6) and carboxylate layer (3), which are further extended by dipyridyl-typed coligands to afford a vast diversity of the structures with 2D pyknotic layers (1, 6), 2D open layer (5), 2D→3D interpenetrated networks (2,4), and 3D pillared-layer framework (3), respectively. In addition, fluorescent spectra of Cd(II) complexes and magnetic properties of Co(II) complexes are also given.

  7. Co(II), Ce(III) and UO2VI) bis-salicylatothiosemicarbazide complexes: binary and ternary complexes, thermal studies and antimicrobial activity.

    PubMed

    El-Wahab, Z H Abd; Mashaly, Mahmoud M; Salman, A A; El-Shetary, B A; Faheim, A A

    2004-10-01

    A series of new metal complexes of Co(II), Ce(III) and UO(2)(VI), with the Schiff base ligand, H2L, bis-salicylatothiosemicarbazide have been prepared in presence of different molar ratios of LiOH.H2O as a deprotonating agent. Also, the ternary complexes were prepared by using 2-aminopyridine (2-Ampy) or oxalic acid (Ox) as a secondary ligand. All synthesized compounds were identified and confirmed by elemental analyses, molar conductivities, spectral (UV-Vis, IR, 1H NMR, mass) and magnetic moment measurements as well as TG-DSC technique. The changes in the selected vibrational absorption bands in IR and NMR spectra of the Schiff base ligand upon coordination indicate that, the ligand behaves as a neutral, monoanionic and/or dianionic tetradentate manner with ONNO donor sites. Conductance measurements suggest the non-electrolytic and 1:1 electrolytic nature of the metal complexes. Thermal studies suggest a mechanism for degradation of the metal complexes as function of temperature supporting the chelation modes, moreover, show the possibility of obtaining new complexes pyrolytically in the solid state which cannot be synthesized from solution. Antimicrobial screening of the free ligand and its binary complexes showed that, the free ligand and some metal complexes possess antimicrobial activities towards four type of bacteria and five types of fungi and these results were compared with eleven type of known antibiotics. PMID:15350923

  8. Supramolecular complexes of Co(II), Ni(II) and Zn(II) p-hydroxybenzoates with caffeine: Synthesis, spectral characterization and crystal structure

    NASA Astrophysics Data System (ADS)

    Taşdemir, Erdal; Özbek, Füreya Elif; Sertçelik, Mustafa; Hökelek, Tuncer; Çelik, Raziye Çatak; Necefoğlu, Hacali

    2016-09-01

    Three novel complexes Co(II), Ni(II) and Zn(II) containing p-hydroxybenzoates and caffeine ligands were synthesized and characterized by elemental analysis, FT-IR and UV-vis Spectroscopy, molar conductivity and single crystal X-ray diffraction methods. The thermal properties of the synthesized complexes were investigated by TGA/DTA. The general formula of the complexes is [M(HOC6H4COO)2(H2O)4]·2(C8H10N4O2)·8H2O (where: M: Co, Ni and Zn). The IR studies showed that carboxylate groups of p-hydroxybenzoate ligands have monodentate coordination mode. The M2+ ions are octahedrally coordinated by two p-hydroxybenzoate ligands, four water molecules leading to an overall MO6 coordination environment. The medium-strength hydrogen bondings involving the uncoordinated caffeine ligands and water molecules, coordinated and uncoordinated water molecules and p-hydroxybenzoate ligands lead to three-dimensional supramolecular networks in the crystal structures.

  9. Ammonia-modified Co(II) sites in zeolites: IR spectroscopy and spin-resolved charge transfer analysis of NO adsorption complexes.

    PubMed

    Góra-Marek, Kinga; Stępniewski, Adam; Radoń, Mariusz; Broclawik, Ewa

    2014-11-21

    IR spectroscopic studies and quantum chemical modeling (aided by the analysis of charge transfer processes between co-adsorbed ammonia and the Co(II)-NO adduct) evidence that donor ammonia molecules, ligated to extraframework Co(2+) centers in zeolites, vitally affect the strength of the N-O bond. Calculations indicate that versatility of ammine nitrosyl complexes, differing in the number of NH3 ligands as well as in the geometry and electronic structure of the Co-N-O unit (showing variable activation of NO) may co-exist in zeolite frameworks. However, only combined analysis of experimental and calculation results points to the adducts with three or five NH3 coligands as decisive. The novel finding concerning the interpretation of discussed IR spectra is the assignment of the most down-shifted bands at 1600-1615 cm(-1) to the N-O stretch in the singlet [Co(NH3)3(NO)](2+) adduct, in place of tentative ascription to pentaammine adducts. Theory indicates also that the Co(ii) center (with manifold of close-lying electronic and spin states) acts as a tunable electron donor where the spin state may open or close specific channels transferring electron density from the donor ligands (treated as the part of environment) to the NO molecule. PMID:25245279

  10. DNA cleavage, antimicrobial, spectroscopic and fluorescence studies of Co(II), Ni(II) and Cu(II) complexes with SNO donor coumarin Schiff bases

    NASA Astrophysics Data System (ADS)

    Patil, Sangamesh A.; Naik, Vinod H.; Kulkarni, Ajaykumar D.; Badami, Prema S.

    2010-01-01

    A series of Co(II), Ni(II) and Cu(II) complexes of the type ML 2 have been synthesized with Schiff bases derived from methylthiosemicarbazone and 5-formyl-6-hydroxy coumarin/8-formyl-7-Hydroxy-4-methylcoumarin. The complexes are insoluble in common organic solvents but soluble in DMF and DMSO. The measured molar conductance values in DMF indicate that, the complexes are non-electrolytes in nature. In view of analytical, spectral (IR, UV-vis, ESR, FAB-mass and fluorescence), magnetic and thermal studies, it has been concluded that, all the metal complexes possess octahedral geometry in which ligand is coordinated to metal ion through azomethine nitrogen, thione sulphur and phenolic oxygen atom via deprotonation. The redox behavior of the metal complexes was investigated by using cyclic voltammetry. The Schiff bases and their complexes have been screened for their antibacterial ( Escherichia coli, Staphylococcus aureus, Pseudomonas aeruginosa and Salmonella typhi) and antifungal activities ( Aspergillus niger, Aspergillus flavus and Cladosporium) by Minimum Inhibitory Concentration method. The DNA cleavage is studied by agarose gel electrophoresis method.

  11. Electrochemical Determination of Bisphenol A with Pencil Graphite Electrodes Modified with Co(II), Ni(II), Cu(II) and Fe(II) Phthalocyaninetetrasulfonates.

    PubMed

    Özcan, Levent; Altuntas, Muhammet; Büyüksagis, Aysel; Türk, Hayrettin; Yurdakal, Sedat

    2016-01-01

    Pencil graphite electrodes modified with Co(II), Ni(II), Cu(II) and Fe(II) metallophthalocyaninetetrasulfonates (MePcTSs) were investigated for an electrochemical determination of bisphenol A (BPA). The electrochemical performances of the modified electrodes for different pH values in phosphate and the Britton-Robinson buffers were determined by cyclic voltammetry; the electrode performances were better in the Britton-Robinson buffer. NiPcTS and CoPcTS modifications of the electrodes had remarkable enhancements on their performances. The differential pulse voltammetry parameters for the electrodes were optimized, and we found that the electrochemical response versus the concentration of BPA is linear from 5.0 × 10(-7) to 1.0 × 10(-5) M for the NiPcTS and CoPcTS modified electrodes. The detection limits of these modified electrodes are 2.9 × 10(-7) and 4.3 × 10(-7) M, respectively, and the effects of interfering species are less than 5%. The results show that NiPcTS and CoPcTS modified pencil graphite electrodes could be used for electrochemical determinations of BPA for analytical purposes. PMID:27506715

  12. Crystal structure of 3-(3,4,5-tri­meth­oxy­phen­yl)-1,2,3,4-tetra­hydro­cyclo­penta[b]indole-2-carb­oxy­lic acid

    PubMed Central

    Fernandes, Daniara; Simoni, Deborah de Alencar; Rodrigues, Manoel T.; Santos, Marilia S.; Coelho, Fernando

    2015-01-01

    In the title compound, C21H21NO5, obtained from a Morita–Baylis–Hillman adduct, the hydrogenated five-membered ring adopts a shallow envelope conformation, with the C atom bearing the carb­oxy­lic acid substituent deviating by 0.237 (1) Å from the mean plane of the other four atoms (r.m.s. deviation = 0.007 Å). The dihedral angle between the fused ring system (all atoms; r.m.s. deviation = 0.057 Å) and the pendant trimeth­oxy benzene ring is 66.65 (3)°. The C atoms of the meta-meth­oxy groups lie close to the plane of the benzene ring [deviations = 0.052 (1) and −0.083 (1) Å], whereas the C atom of the para-meth­oxy group is significantly displaced [deviation = −1.289 (1) Å]. In the crystal, carb­oxy­lic acid inversion dimers generate R 2 2(8) loops. The dimers are connected by N—H⋯O hydrogen bonds, forming [011] chains. A C—H⋯O inter­action is also observed. PMID:26090185

  13. N-[3a-(4-Bromo-phen-yl)-8b-hy-droxy-6,8-dimeth-oxy-3-phenyl-2,3,3a,8b-tetra-hydro-1H-cyclo-penta-[b]benzofuran-1-yl]formamide monohydrate.

    PubMed

    Aubert, Emmanuel; Thuaud, Frédéric; Ribeiro, Nigel; Désaubry, Laurent; Espinosa, Enrique

    2013-01-01

    In the title compound, C26H24BrNO5·H2O, a synthetic analogue of natural flavagline, the cyclo-pentane ring adopts an envelope conformation (the flap atom bearing the phenyl group) and the vicinal phenyl and bromo-phenyl groups are slightly shifted relative to each other [CPh-C-C-CPhBr = 36.3 (2)°]. Intra-molecular N-H⋯O and C-H⋯O hydrogen bonds form S(5) motifs. In the crystal, the organic and the water mol-ecules are linked by an O-H⋯O hydrogen bond. Pairs of organic and water mol-ecules, located about inversion centers, inter-act through O-H⋯O hydrogen bonds, forming R4(4)(20) and R4(4)(26) motifs, which together lead to C2(2)(9) motifs. The crystal packing is also characterized by N-H⋯O and C-H⋯O hydrogen bonds between neighbouring organic mol-ecules, forming R2(2)(10) and R2(2)(18) motifs, respectively. PMID:23476436

  14. cyclo-Tri-μ-oxido-tris­{[(η5,η5)-1,2-bis­(cyclo­penta­dien­yl)-1,1,2,2-tetra­methyl­disilane]zirconium(IV)}: a trimeric disila-bridged oxidozirconocene

    PubMed Central

    Arnold, Thomas; Braunschweig, Holger; Gruss, Katrin

    2011-01-01

    The title compound, [Zr3(C14H20Si2)3O3], consists of three disila-bridged zirconocene units, which are connected via an oxide ligand, forming a nearly planar six-membered ring with a maximum displacement of 0.0191 (8) Å. The compound was isolated as a by-product from a mixture of [(C5H4SiMe2)2ZrCl2] and Li[AlH4] in Et2O. PMID:21753927

  15. Di-μ-cyanido-tetra­cyanido(5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane)[N-(quinolin-8-yl)quinoline-2-carboxamidato]diiron(III)nickel(II) 2.07-hydrate

    PubMed Central

    Yang, Yuqi; Zhou, Hongbo; Shen, Xiaoping

    2013-01-01

    The asymmetric unit of the title complex, [Fe2Ni(C19H12N3O)2(CN)6(C16H36N4)]·2.07H2O, contains one [Fe(qcq)(CN)3]− anion, half a [Ni(teta)]2+ cation and two partially occupied inter­stitial water mol­ecules [qcq− is the N-(quinolin-8-yl)quinoline-2-carboxamidate anion and teta is 5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­deca­ne]. In the complex mol­ecule, two [Fe(qcq)(CN)3]− anions additionally coordinate the central [Ni(teta)]2+ cation through cyanide groups in a trans mode, resulting in a trinuclear structure with the Ni2+ cation lying on an inversion centre. The two inter­stitial water mol­ecules are partially occupied, with occupancy factors of 0.528 (10) and 0.506 (9). O—H⋯O and O—H⋯N hydrogen bonding involving the two lattice water molecules and the carbonyl function and a teta N atom in an adjacent cluster leads to the formation of layers extending parallel to (010). PMID:23723777

  16. [Synthesis and spectroscopic properties of tetra-(dimethylaminophenyl) porphyrin and its metal complexes].

    PubMed

    Duan, Cai-hong; Ma, Hong-min; Chen, Xin; Zhang, Li-na; Zhang, Nuo; Li, He; Du, Bin; Wei, Qin

    2007-12-01

    Porphyrin and metalloporphyrin distribute widely in nature and they play an important role in the life. Synthesis of porphyrin compounds with special function has been the focus of attention. In the present paper, porphyrin and metalloporphyrin compound were synthesized by the following method: by one-step synthesis, tetra-(dimethylaminophenyl) porphyrin (T(DMAP) P) was synthesized with propionic acid, acetic acid and nitrobenzene as solvent and 4-dimethylaminobenzaldehyde and pyrrole as raw material. The yield was 24.24%. The complexes of T(DMAP)P with Zn2+, Mn2+ and Tb3+ were synthesized by solvent of chloroform-N, N dimethylformamide (1 : 1). The effects of solvent, temperature and reaction time on the reaction were discussed. Optimum proportion between porphyrin and metallic salts was studied also and the molar ratios of T(DMAP)P to Zn (CH3COO)2 x 2H2O, T(DMAP)P to MnCl2 x 4H2O, and T(DMAP)P to TbCl3 were 1 : 1.2, 1 : 1.4, 1 : 1.5, respectively. The synthesis of metalloporphyrins under mild conditions is simper with high yield (94.2%, 91.7% and 90.5% for T(DMAP) P combined with Zn2+ , Mn2+ and Tb3+ respectively) and the unstability of metalloporphyrin could be avoided. The constitution and structures of these compounds were studied by elemental analyses, infrared spectrum (IR), and ultraviolet-visible spectrum (UV-Vis). The conductivity of porphyrin compound with different concentration and temperature was studied. It was found that the molar conductivity of T(DMAP)P-TbCl(74.6 s x cm(-2) mol(-1)) was greater than that of T(DMAP)P-Zn (8. 8 s x cm(-2) x mol(-1)) and T(DMAP)P-Mn (25.8 s X cm(-2) mol(-1)). So T(DMAP) P-TbCl could be regarded as the 1 : 1 electrolyte compound while T(DMAP)P-Zn and T(DMAP)P-Mn were non-electrolyte compounds. The influences of different metal ions on the reaction were investigated. The discussion was concentrated on the molecular spectra of porphyrin and metalloporphyrin. Compared with tetraphenyl porphyrin, the absorption of T

  17. COII/tRNA[sup Lys] intergenic 9-bp deletion and other mtDNA markers clearly reveal that the Tharus (Southern Nepal) have oriental affinities

    SciTech Connect

    Passarino, G.; Semino, O.; Santachiara-Benerecetti, A.S.; Modiano, G. )

    1993-09-01

    The authors searched for the East Asian mtDNA 9-bp deletion in the intergenic COII/tRNA[sup Lys] region in a sample of 107 Tharus (50 from central Terai and 57 from eastern Terai), a population whose anthropological origin has yet to be completely clarified. The deletion, detected by electrophoresis of the PCR-amplified nt 7392-8628 mtDNA fragment after digestion with HaeIII, was found in about 8% of both Tharu groups but was found in none of the 76 Hindus who were examined as a non-Oriental neighboring control population. A complete triplication of the 9-bp unit, the second case so far reported, was also observed in one eastern Tharu. All the mtDNAs with the deletion, and that with the triplication, were further characterized (by PCR amplification of the relevant mTDNA fragments and their digestion with the appropriate enzymes) to locate them in the Ballinger et al. phylogeny of East Asian mtDNA haplotypes. The deletion was found to be associated with four different haplotypes, two of which are reported for the first time. One of the deletions and especially the triplication could be best explained by the assumption of novel length-change events. Ballinger's classification of East Asian mtDNA haplotypes is mainly based on the phenotypes for the DdeI site at nt 10394 and the AluI site at nt 10397. Analysis of the entire Tharu sample revealed that more than 70% of the Tharus have both sites, the association of which has been suggested as an ancient East Asian peculiarity. These results conclusively indicate that the Tharus have a predominantly maternal Oriental ancestry. Moreover, they show at least one and perhaps two further distinct length mutations, and this suggests that the examined region is a hot spot of rearrangements. 21 refs., 5 figs., 6 tabs.

  18. Synthesis, characterization, equilibrium study and biological activity of Cu(II), Ni(II) and Co(II) complexes of polydentate Schiff base ligand.

    PubMed

    El-Sherif, Ahmed A; Shehata, Mohamed R; Shoukry, Mohamed M; Barakat, Mohammad H

    2012-10-01

    Schiff base ligand, 1,4-bis[(2-hydroxybenzaldehyde)propyl]piperazine (BHPP), and its Cu(II), Ni(II) and Co(II) metal complexes were synthesized and characterized by elemental analysis, magnetic susceptibility, molar conductance and spectral (IR and UV-vis) studies. The ground state of BHPP ligand was investigated using the BUILDER module of MOE. Metal complexes are formed in the 1:1 (M:L) ratio as found from the elemental analysis and found to have the general formula [ML]·nH(2)O, where M=Co(II), Ni(II) and Cu(II), L=BHPP. In all the studied complexes, the (BHPP) ligand behaves as a hexadentate divalent anion with coordination involving the two azomethine nitrogen's, the two nitrogen atoms of piperazine ring and the two deprotonated phenolic OH-groups. The magnetic and spectral data indicates octahedral geometry of metal(II) complexes. The ligand and their metal chelates have been screened for their antimicrobial activities using the disc diffusion method against the selected bacteria and fungi. They were found to be more active against Gram-positive than Gram-negative bacteria. Protonation constants of (BHPP) ligand and stability constants of its Cu(2+), Co(2+) and Ni(2+) complexes were determined by potentiometric titration method in 50% DMSO-water solution at ionic strength of 0.1 M sodium nitrate. It has been observed that the protonated Schiff base ligand (BHPP) have four protonation constants. The divalent metal ions Cu(2+), Ni(2+) and Co(2+) form 1:1 complexes. PMID:22935596

  19. Synthesis, characterization and in vitro anticancer activity of 18-membered octaazamacrocyclic complexes of Co(II), Ni(II), Cd(II) and Sn(II)

    NASA Astrophysics Data System (ADS)

    Kareem, Abdul; Zafar, Hina; Sherwani, Asif; Mohammad, Owais; Khan, Tahir Ali

    2014-10-01

    An effective series of 18 membered octaazamacrocyclic complexes of the type [MLX2], where X = Cl or NO3 have been synthesized by template condensation reaction of oxalyl dihydrazide with dibenzoylmethane and metal salt in 2:2:1 molar ratio. The formation of macrocyclic framework, stereochemistry and their overall geometry have been characterized by various physico-chemical studies viz., elemental analysis, electron spray ionization-mass spectrometry (ESI-MS), I.R, UV-Vis, 1H NMR, 13C NMR spectroscopy, X-ray diffraction (XRD) and TGA/DTA studies. These studies suggest formation of octahedral macrocyclic complexes of Co(II), Ni(II), Cd(II) and Sn(II). The molar conductance values suggest nonelectrolytic nature for all the complexes. Thermogravimatric analysis shows that all the complexes are stable up to 600 °C. All these complexes have been tested against different human cancer cell lines i.e. human hepatocellular carcinoma (Hep3B), human cervical carcinoma (HeLa), human breast adenocarcinoma (MCF7) and normal cells (PBMC). The newly synthesized 18-membered octaazamacrocyclic complexes during in vitro anticancer evaluation, displayed moderate to good cytotoxicity on liver (Hep3B), cervical (HeLa) and breast (MCF7) cancer cell lines, respectively. The most effective anticancer cadmium complex (C34H28N10CdO10) was found to be active with IC50 values, 2.44 ± 1.500, 3.55 ± 1.600 and 4.82 ± 1.400 in micro-molar on liver, cervical and breast cancer cell lines, respectively.

  20. Coligand-regulated assembly, fluorescence, and magnetic properties of Co(II) and Cd(II) complexes with a non-coplanar dicarboxylate

    SciTech Connect

    Xin, Ling-Yun; Liu, Guang-Zhen; Ma, Lu-Fang; Wang, Li-Ya

    2013-10-15

    A non-coplanar dicarboxylate ndca (H{sub 2}ndca=5-norbornene-2,3-dicarboxylic acid), combining with various dipyridyl-typed tectons, constructs six Cd(II)/Co(II) coordination polymers under hydrothermal conditions, namely [Co(ndca)(H{sub 2}O)]{sub n} (1), ([Co(ndca)(bpe)(H{sub 2}O)]·H{sub 2}O){sub n} (2), [Co(ndca)(bpa){sub 0.5}(H{sub 2}O)]{sub n} (3), [Cd(ndca)(bpe)(H{sub 2}O)]{sub n} (4), ([Cd(ndca)(bpa)(H{sub 2}O)]·0.5H{sub 2}O){sub n} (5), and ([Cd(ndca)(bpp) (H{sub 2}O)]·H{sub 2}O){sub n} (6) (bpe=1,2-di(4-pyridyl)ethylene, bpa=1,2-bi(4-pyridyl)ethane, and bpp=1,3-bis(4-pyridyl)propane). All these compounds contain various metal(II)–carboxylate motifs, including carboxylate binuclear (2, 4, 5), carboxylate chain (1, 6) and carboxylate layer (3), which are further extended by dipyridyl-typed coligands to afford a vast diversity of the structures with 2D pyknotic layers (1, 6), 2D open layer (5), 2D→3D interpenetrated networks (2,4), and 3D pillared-layer framework (3), respectively. In addition, fluorescent spectra of Cd(II) complexes and magnetic properties of Co(II) complexes are also given. - Graphical abstract: Six various cadmium(II)/cobalt(II)–organic frameworks were constructed by 5-norbornene-2,3-dicarboxylic acid and different bis(pyridine) rod-like tectons, and Cd (II) complexes exhibit blue–violet emissions, whereas Co (II) complexes show antiferromagnetic behaviours. Display Omitted.

  1. The meloxicam complexes of Co(II) and Zn(II): Synthesis, crystal structures, photocleavage and in vitro DNA-binding

    NASA Astrophysics Data System (ADS)

    Sanatkar, Tahereh Hosseinzadeh; Hadadzadeh, Hassan; Simpson, Jim; Jannesari, Zahra

    2013-10-01

    Two neutral mononuclear complexes of Co(II) and Zn(II) with the non-steroidal anti-inflammatory drug meloxicam (H2mel, 4-hydroxy-2-methyl-N-(5-methyl-2-thiazolyl)-2H-1,2-benzothiazine-3-carboxammide-1,1-dioxide), [Co(Hmel)2(EtOH)2] (1), and [Zn(Hmel)2(EtOH)2] (2), were synthesized and characterized by elemental analysis, IR and UV-Vis spectroscopy and their solid-state structures were studied by single-crystal diffraction. The complexes have a distorted octahedral geometry around the metal atom. The experimental data indicate that the meloxicam acts as a deprotonated bidentate ligand (through the amide oxygen and the nitrogen atom of the thiazolyl ring) in the complexes, and a strong intramolecular hydrogen bond between the amide N-H function and the enolate O atom stabilizes the ZZZ conformation of meloxicam ligands. Absorption, fluorescence spectroscopy and cyclic voltammetry have been used to investigate the binding of the complexes with fish sperm DNA (FS-DNA). Additionally, the photocleavage studies have been also used to investigate the binding of the complexes with plasmid DNA. The interaction of the complexes with DNA was monitored by a blue shift and hyperchromism in the UV-Vis spectra attributed to an electrostatic binding mode. A competitive study with ethidium bromide (EB) has shown that the complexes can displace the DNA-bound EB indicating that they bind to DNA in strong competition with EB. The experimental results show that the complexes can cleave pUC57 plasmid DNA.

  2. Crystal structure of bis­(2-amino-5-chloro­pyridinium) tetra­chlorido­cobaltate(II)

    PubMed Central

    Mghandef, Marwa; Boughzala, Habib

    2015-01-01

    The title salt, (C5H6ClN2)2[CoCl4], was synthesized by slow evaporation of an aqueous solution at room temperature. The asymmetric unit consists of two essentially planar (C5H6ClN2)+ cations [maximum deviations = 0.010 (3) and 0.014 (3) Å] that are nearly perpendicular to each other [dihedral angle = 84.12 (7)°]. They are bonded through N—H⋯Cl hydrogen bonds to distorted [CoCl4]2− tetra­hedra, leading to the formation of undulating layers parallel to (100). The structure is isotypic with the Zn analogue [Kefi et. al (2011). Acta Cryst. E67, m355–m356.] PMID:25995878

  3. Crystal structure of 4-methyl­sulfanyl-2-(2H-tetra­zol-2-yl)pyrimidine

    PubMed Central

    Thomann, Andreas; Huch, Volker; Hartmann, Rolf W.

    2015-01-01

    The title compound, C6H6N6S, crystallized with two independent mol­ecules (A and B) in the asymmetric unit. The conformation of the two mol­ecules differs slightly. While the tetra­zole ring is inclined to the pyrim­idene ring by 5.48 (7) and 4.24 (7)° in mol­ecules A and B, respectively, the N—C—S—C torsion angles of the thio­methyl groups differ by ca 180°. In the crystal, the A and B mol­ecules are linked via a C—H⋯N hydrogen bond. They stack along the b-axis direction forming columns within which there are weak π–π inter­actions present [shortest inter-centroid distance = 3.6933 (13) Å]. PMID:26870493

  4. Surface-Enhanced Raman Spectra of Tetra(4-Sulfonatophenyl)Porphyrin on the Surface of Plasmonic Silver Films

    NASA Astrophysics Data System (ADS)

    Gogoleva, S. D.; Lavysh, A. V.; Motevich, I. G.; Askirka, V. F.; Strekal, N. D.; Sheinin, V. B.; Koifman, O. I.; Zenkevich, E. I.; Maskevich, S. A.

    2016-05-01

    Absorption and Raman spectra of the tetra(4-sulfonatophenyl)porphyrin (TSPP) zwitterion in aqueous solutions under conditions at which porphyrin nanotubes (PNT) form (pH 1) are presented. TSPP was immobilized on the surface of plasmonic silver films (PSF) via quick transfer of a suspension of the molecules into a solution at pH 5 and onto the film surface in order to avoid degrading the film. Images of PNT and spheroidal TSPP aggregates on the PSF surface were visualized using confocal microscopy. Spatially resolved surface-enhanced Raman spectra (SERS) of these objects were recorded. Differences in SERS of PNT and TSPP globular aggregates are discussed based on quantum-chemical calculations of TSPP vibrational spectra. Vibrational bands sensitive to the tube-spherulite transition are found.

  5. The mechanism of color change in the neon tetra fish: a light-induced tunable photonic crystal array.

    PubMed

    Gur, Dvir; Palmer, Benjamin A; Leshem, Ben; Oron, Dan; Fratzl, Peter; Weiner, Steve; Addadi, Lia

    2015-10-12

    The fresh water fish neon tetra has the ability to change the structural color of its lateral stripe in response to a change in the light conditions, from blue-green in the light-adapted state to indigo in the dark-adapted state. The colors are produced by constructive interference of light reflected from stacks of intracellular guanine crystals, forming tunable photonic crystal arrays. We have used micro X-ray diffraction to track in time distinct diffraction spots corresponding to individual crystal arrays within a single cell during the color change. We demonstrate that reversible variations in crystal tilt within individual arrays are responsible for the light-induced color variations. These results settle a long-standing debate between the two proposed models, the "Venetian blinds" model and the "accordion" model. The insight gained from this biogenic light-induced photonic tunable system may provide inspiration for the design of artificial optical tunable systems. PMID:25914222

  6. Excited state dynamics of metastable phthalocyanine-tetrasulfonate tetra-anions probed by pump/probe photoelectron spectroscopy

    SciTech Connect

    Ehrler, Oli T.; Yang Jiping; Sugiharto, Albert B.; Unterreiner, Andreas N.; Kappes, Manfred M.

    2007-11-14

    Femtosecond time-resolved pump-probe photoelectron spectroscopy was used to study elementary relaxation processes occurring in isolated phthalocyanine-tetrasulfonate tetra-anions ([MPc(SO{sub 3}){sub 4}]{sup 4-}, M=Cu,Ni, and ''free-base'' [H{sub 2}Pc(SO{sub 3}){sub 4}]{sup 4-}) following Q band excitation by one-photon absorption at 775 nm. Whereas the Cu and Ni systems decay rapidly by means of internal conversion without electron loss, the free-base phthalocyanine primarily undergoes excited state tunneling electron emission. This reflects less efficient coupling to lower lying states within the corresponding spin manifold. Results are interpreted in terms of (time-dependent) density functional theory calculations of ground and electronically excited states and kinetically modeled to yield the associated rates.

  7. 3-Methyl-4,5-di­hydro­oxazolium tetra­phenyl­borate

    PubMed Central

    Tiritiris, Ioannis; Saur, Stefan; Kantlehner, Willi

    2014-01-01

    In the cation of the title salt, C4H8NO+·C24H20B−, the C—N bond lengths are 1.272 (2), 1.4557 (19) and 1.4638 (19) Å, indicating double- and single-bond character, respectively. The C—O bond length of 1.3098 (19) Å shows that double-bond character and charge delocalization occurs within the NCO plane of the cation. In the crystal, a C—H⋯π inter­action is present between the methyl­ene H atom of the cation and one phenyl ring of the tetra­phenyl­borate ion. The latter forms an aromatic pocket in which the cation is embedded. PMID:24765023

  8. Synthesis of tetra-substituted imidazoles and 2-imidazolines by Ni(0)-catalyzed dehydrogenation of benzylic-type imines.

    PubMed

    Tlahuext-Aca, Adrian; Hernández-Fajardo, Oscar; Arévalo, Alma; García, Juventino J

    2014-11-14

    Ni(0)-catalyzed dehydrogenation of benzylic-type imines was performed to yield asymmetrical tetra-substituted imidazoles and 2-imidazolines. This was achieved with a single operational step while maintaining good selectivity and atom economy. The catalytic system shows low to moderate tolerance for fluoro-, trifluoromethyl-, methyl-, and methoxy-substituted benzylic-type imines. In addition, the substitution pattern at the N-heterocyclic products was easily controlled by the appropriate selection of R-groups in the starting organic substrates. Based on experimental observations, we propose a reaction mechanism in which benzylic C(sp(3))-H bond activation and insertion steps play pivotal roles in this nickel-catalyzed organic transformation. PMID:25232889

  9. N,N′-Bis(2-aza­niumylbenz­yl)ethane-1,2-diaminium tetra­chloride

    PubMed Central

    Garza Rodríguez, Luis Ángel; Bernès, Sylvain; Elizondo Martínez, Perla; Nájera Martínez, Blanca; Pérez Rodríguez, Nancy

    2011-01-01

    The title compound, C16H26N4 4+·4Cl−, is based on a fully protonated tetra­amine. In the cation, both benzene rings are connected by an all-trans chain, and the rings are almost parallel, with an angle between the mean planes of 8.34 (12)°. The benzene rings are arranged in such a way that the NH3 + substituents are oriented cis with respect to the central chain. This arrangement is a consequence of multiple N—H⋯Cl hydrogen bonds, involving all N—H groups in the cation and the four independent Cl− anions. These contacts have strengths ranging from weak to strong (based on H⋯Cl separations), and generate a complex three-dimensional crystal structure with no preferential crystallographic orientation for the contacts. PMID:22199749

  10. Crystal structure of catena-poly[N,N,N',N'-tetra-methyl-guanidinium [(chlorido-cadmate)-di-μ-chlorido

    PubMed

    Ndiaye, Mamadou; Samb, Abdoulaye; Diop, Libasse; Maris, Thierry

    2016-01-01

    In the structure of the title salt, {(C5H14N3)[CdCl3]} n , the Cd(II) atom of the complex anion is five-coordinated by one terminal and four bridging Cl atoms. The corresponding coordination polyhedron is a distorted trigonal bipyramid, with Cd-Cl distances in the range 2.4829 (4)-2.6402 (4) Å. The bipyramids are condensed into a polyanionic zigzag chain extending parallel to [101]. The tetra-methyl-guanidinium cations are situated between the polyanionic chains and are linked to them through N-H⋯Cl hydrogen bonds, forming a layered network parallel to (010). PMID:26870572

  11. Tetra-amino-acid tandem repeats are involved in HsdS complementation in type IC restriction-modification systems.

    PubMed

    Adamczyk-Popławska, Monika; Kondrzycka, Aneta; Urbanek, Katarzyna; Piekarowicz, Andrzej

    2003-11-01

    All known type I restriction and modification (R-M) systems of Escherichia coli and Salmonella enterica belong to one of four discrete families: type IA, IB, IC or ID. The classification of type I systems from a wide range of other genera is mainly based on complementation and molecular evidence derived from the comparison of the amino acid similarity of the corresponding subunits. This affiliation was seldom based on the strictest requirement for membership of a family, which depends on relatedness as demonstrated by complementation tests. This paper presents data indicating that the type I NgoAV R-M system from Neisseria gonorrhoeae, despite the very high identity of HsdM and HsdR subunits with members of the type IC family, does not show complementation with E. coli type IC R-M systems. Sequence analysis of the HsdS subunit of several different potential type IC R-M systems shows that the presence of different tetra-amino-acid sequence repeats, e.g. TAEL, LEAT, SEAL, TSEL, is characteristic for type IC R-M systems encoded by distantly related bacteria. The other regions of the HsdS subunits potentially responsible for subunit interaction are also different between a group of distantly related bacteria, but show high similarity within these bacteria. Complementation between the NgoAV R-M system and members of the EcoR124 R-M family can be restored by changing the tetra-amino-acid repeat within the HsdS subunit. The authors propose that the type IC family of R-M systems could consist of several complementation subgroups whose specificity would depend on differences in the conserved regions of the HsdS polypeptide. PMID:14600243

  12. Sodium bis­(ethyl­enedi­amine)­copper(II) tetra­cyanido­cuprate(I)

    PubMed Central

    Corfield, Peter W. R.; Dobbs, Robert K.; Bell, Brian

    2013-01-01

    The title compound, Na[Cu(en)2][Cu(CN)4], where en represents ethyl­enedi­amine, NH2CH2CH2NH2, crystallizes as a salt with two distinct cations, Na+ and [CuIIen2]2+, and discrete [CuI(CN)4]3− anions. The anion geometry is tetra­hedral, with angles at the copper atom ranging from 105.0 (1) to 115.4 (1)°. The Cu—C distances are in the range 1.976 (3) to 1.993 (3) Å. The divalent copper atom is coordinated by four N atoms of the two bidentate en ligands in a slightly distorted square-planar geometry. In the crystal, each sodium ion inter­acts with cyanide N atoms of four different anions, with Na—N distances lying in the narrow range of 2.344 (3) to 2.367 (3) Å, and an approximately tetra­hedral arrangement around the sodium ions. The inter­acting sodium ions and [CuI(CN)4]3− anions form a three-dimensional network with channels which contain the [Cu(en)2]2+ cations. One of the chelate rings in the cation shows partial disorder between two different conformations and the C atoms were refined with occupancies in the ratio 0.817 (15):0.183 (15). PMID:23794976

  13. Tetra­aqua­bis­(piperazin-1-ium)cobalt(II) bis­(sulfate) dihydrate

    PubMed Central

    Sahbani, Thameur; Smirani Sta, Wajda; Rzaigui, Mohamed

    2013-01-01

    In the centrosymmetric title compound, [Co(C4H11N2)2(H2O)4](SO4)2·2H2O, the CoII atom is coordinated in a distorted octa­hedral geometry by four water O atoms and two piperazinium N atoms. These four water O atoms define an equatorial plane with a maximum deviation of 0.0384 (1) Å while the two piperazinium N atoms complete the octa­hedron in the axial positions. Neighboring complex mol­ecules and sulfate anions are connected through an extensive network of N—H⋯O and O—H⋯O hydrogen bonds, which link the different chemical species into layers in the ab plane. Additional Owater—H⋯O hydrogen bonds involving the non-coordinating water mol­ecules and C—H⋯O inter­actions connect these layers into a three-dimensional supra­molecular structure. PMID:24454163

  14. Synthesis, antimicrobial activity, structural and spectral characterization and DFT calculations of Co(II), Ni(II), Cu(II) and Pd(II) complexes of 4-amino-5-pyrimidinecarbonitrile.

    PubMed

    Mohamed, Tarek A; Shaaban, Ibrahim A; Farag, Rabei S; Zoghaib, Wajdi M; Afifi, Mahmoud S

    2015-01-25

    Co(II), Ni(II), Cu(II) and Pd(II) complexes of 4-amino-5-pyrimidinecarbonitrile (APC) have been synthesized and characterized using elemental analysis, magnetic susceptibility, mass spectrometry, infrared (4000-200 cm(-1)), UV-Visible (200-1100 nm), (1)H NMR and ESR spectroscopy as well as TGA analysis. The molar conductance measurements in DMSO imply non-electrolytic complexes, formulated as [M(APC)2Cl2] where M=Co(II), Ni(II), Cu(II) and Pd(II). The infrared spectra of Co(II), Ni(II) and Cu(II) complexes indicate a bidentate type of bonding for APC through the exocyclic amino and adjacent pyrimidine nitrogen as donors whereas APC coordinated to Pd(II) ion as a monodentated ligand via a pyrimidine nitrogen donor. The magnetic measurements and the electronic absorption spectra support distorted octahedral geometries for Co(II), Ni(II) and Cu(II) complexes however a square planar complex was favored for the Pd(II) complex (C2h skeleton symmetry). In addition, we carried out B3LYP and ω-B97XD geometry optimization at 6-31G(d) basis set except for Pd(II) where we implemented LanL2DZ/6-31G(d) combined basis set. The computational results favor all trans geometrical isomers where amino N, pyrimidine N and Cl are trans to each other (structure 1). Finally, APC and its divalent metal ion complexes were screened for their antibacterial activity, and the synthesized complexes were found to be more potent antimicrobial agents than APC against one or more microbial species. PMID:25105264

  15. Synthesis, characterization and biological activities of Cu(II), Co(II), Mn(II), Fe(II), and UO2(VI) complexes with a new Schiff Base hydrazone: O-hydroxyacetophenone-7-chloro-4-quinoline hydrazone.

    PubMed

    Al-Shaalan, Nora H

    2011-01-01

    The Schiff base hydrazone ligand HL was prepared by the condensation reaction of 7-chloro-4-quinoline with o-hydroxyacetophenone. The ligand behaves either as monobasic bidentate or dibasic tridentate and contain ONN coordination sites. This was accounted for be the presence in the ligand of a phenolic azomethine and imine groups. It reacts with Cu(II), Ni(II), Co(II), Mn(II), UO(2) (VI) and Fe(II) to form either mono- or binuclear complexes. The ligand and its metal complexes were characterized by elemental analyses, IR, NMR, Mass, and UV-Visible spectra. The magnetic moments and electrical conductance of the complexes were also determined. The Co(II), Ni(II) and UO(2) (VI) complexes are mononuclear and coordinated to NO sites of two ligand molecules. The Cu(II) complex has a square-planar geometry distorted towards tetrahedral, the Ni(II) complex is octahedral while the UO(2) (VI) complex has its favoured heptacoordination. The Co(II), Mn(II) complexes and also other Ni(II) and Fe(III) complexes, which were obtained in the presence of Li(OH) as deprotonating agent, are binuclear and coordinated via the NNNO sites of two ligand molecules. All the binuclear complexes have octahedral geometries and their magnetic moments are quite low compared to the calculated value for two metal ions complexes and thus antiferromagnetic interactions between the two adjacent metal ions. The ligand HL and metal complexes were tested against a strain of Gram +ve bacteria (Staphylococcus aureus), Gram -ve bacteria (Escherichia coli), and fungi (Candida albicans). The tested compounds exhibited high antibacterial activities. PMID:21996717

  16. Synthesis, characterization, DFT and biological studies of (Z)-N‧-(2-oxoindolin-3-ylidene)picolinohydrazide and its Co(II), Ni(II) and Cu(II) complexes

    NASA Astrophysics Data System (ADS)

    Rakha, T. H.; El-Gammal, O. A.; Metwally, H. M.; Abu El-Reash, G. M.

    2014-03-01

    The picolinohydrazide derivative: (Z)-N‧-(2-oxoindolin-3-ylidene)picolinohydrazide (H2IPH) and its Co(II), Ni(II) and Cu(II) complexes have been synthesized and investigated by using the modern spectroscopic and physicochemical techniques viz. IR, 1H NMR, UV-Vis spectrometric methods and magnetic moment measurements. The investigation study revealed that the ligand acts as monobasic tri- and tetradentate in Co(II) and Ni(II) complex, respectively and as neutral tridentate in Cu(II) complex. On the basis of magnetic moment and spectral studies, a six coordinated octahedral geometry is assigned for all complexes. The molecular modeling are drawn and showed the bond length, bond angle, chemical reactivity, energy components (kcal/mol) and binding energy (kcal/mol) for all the title compounds and also NLO for the ligand is shown. The energy gap between the HOMO and LUMO for Ni(II) complex is (-7 eV) which indicates that these compound is a promising structure for photovoltaic devices such as solar cells. A comparison of the experimental and theoretical spectra can be very useful in making correct assignments and understanding the basic chemical shift. The thermal behavior and the kinetic parameters of degradation were determined using Coats-Redfern and Horowitz-Metzger methods. The in vitro antibacterial studies of these complexes screened against pathogenic bacteria proved them as growth inhibiting agents. Antitumor activity, carried out in vitro on human mammary gland (breast) MCF7, have shown that the Co(II) complex exhibited potent activity followed by the ligand, Cu(II) and Ni(II) complexes.

  17. Tetra­kis(ethyl pyridine-4-carboxyl­ate-κN)bis­(thio­cyanato-κN)cobalt(II)

    PubMed Central

    Feng, Xiu-Ling; Zhang, Yu-Ping

    2012-01-01

    In the title complex, [Co(NCS)2(C8H9NO2)4], the CoII atom is six-coordinated by four N atoms from four ethyl pyridine-4-carboxyl­ate ligands in the equatorial plane and two N atoms of thio­cyanate ligands in the axial positions, showing a slightly distorted octa­hedral geometry. The structure exhibits disorder in one of the ethyl chains, which was refined using a two-site model with 0.70 (6):0.30 (6) occupancy. PMID:22719337

  18. Supramolecular 2D/3D isomerism in a compound containing heterometallic Cu(II)2Co(II) nodes and dicyanamide bridges.

    PubMed

    Biswas, Saptarshi; Gómez-García, Carlos J; Clemente-Juan, Juan M; Benmansour, Samia; Ghosh, Ashutosh

    2014-03-01

    Three new heterometallic copper(II)-cobalt(II) complexes [(CuL(2))2Co{dca}2]·H2O(1), [(CuL(1))2Co{dca}2]n (2a), and [(CuL(1))2Co{dca}2]n (2b) [dca(-) = dicyanamide = N(CN)2(-)] have been synthesized by reacting the "metallo-ligand" [CuL(1)] or [CuL(2)] with cobalt(II) perchlorate and sodium dicyanamide in methanol-water medium (where H2L(1) = N,N'-bis(salicylidene)-1,3-propanediamine and H2L(2) = N,N'-bis(α-methylsalicylidene)-1,3-propanediamine). The three complexes have been structurally and magnetically characterized. Complex 1 is a discrete trinuclear species in which two metallo-ligands coordinate to a cobalt(II) ion through the phenoxido oxygen atoms along with two terminally coordinated dicyanamide ions. On the other hand, complexes 2a and 2b are one of the very scarce examples of supramolecular isomers since they present the same [(CuL(1))2Co{dca}2] trinuclear units (very similar to the trinuclear core in 1) and differ only in their superstructures. Thus, although each Cu2Co trimer in 2a and 2b is connected to four other Cu2Co trimers through four μ1,5-dca(-) bridges, 2a presents a square two-dimensional structure (each Cu2Co trimer is connected to four in-plane Cu2Co trimers); whereas, 2b shows a triangular three-dimensional lattice (each Cu2Co trimer is connected to three in-plane and one out-of-plane trimers). Variable-temperature magnetic susceptibility measurements show the presence of moderate antiferromagnetic exchange interactions (ferrimagnetic) in all the cases mediated through the double phenoxido bridges that have been fitted with an anisotropic model including spin-orbit coupling in the central Co(II) ion. PMID:24552535

  19. New macrocyclic schiff base complexes incorporating a homopiperazine unit: Synthesis of some Co(II), Ni(II),Cu(II) and Zn(II) complexes and crystal structure and theoretical studies

    NASA Astrophysics Data System (ADS)

    Keypour, Hassan; Rezaeivala, Majid; Ramezani-Aktij, Ameneh; Bayat, Mehdi; Dilek, Nefise; Ünver, Hüseyin

    2016-07-01

    A new macrocyclic Schiff base ligand, L, was synthesized by condensation reaction of 1,4-bis(2-formylphenyl)homopiperazine and 1,4-diaminobutane in acetonitrile. The Schiff base ligand was characterized by using elemental analyses, FT-IR, 1H, 13C NMR and mass spectroscopic techniques. The metal (II) complexes [ML], were synthesized from the reaction of MCl2.nH2O (M: Co, Ni, Cu and Zn) with Schiff base ligand, L and characterized by elemental analyses and FT-IR. X-ray crystal structure of [CoLCl]+ distorted square pyramidal geometry with an N4Cl core, arising from coordination by the four donor nitrogen atoms from the macrocyclic framework and one Cl atom. It crystallizes triclinic space group, P-1 with a = 7.1777(1) Å, b = 11.0357 (2) Å, c = 15.1520(2) Å, V = 1183.14(3), Z = 2, Dc = 1.556 g cm-3, μ (MoKα) = 0.156 mm-1. Also, the bonding situation between the [MCl]+ and Ligand (L) fragments in [MLCl]ClO4 (M = Co(II), Ni(II), Cu(II), Zn(II)) complexes were carried out by energy-decomposition analysis (EDA). The results showed that there is an increasing trend in the case of ΔEelstat of the complexes by changing the M from Co(II) to Zn(II).

  20. Synthesis, characterization and biological activity of some new VO(IV), Co(II), Ni(II), Cu(II) and Zn(II) complexes of chromone based NNO Schiff base derived from 2-aminothiazole

    NASA Astrophysics Data System (ADS)

    Kalanithi, M.; Kodimunthiri, D.; Rajarajan, M.; Tharmaraj, P.

    2011-11-01

    Coordination compounds of VO(IV), Co(II), Ni(II), Cu(II) and Zn(II) with the Schiff base obtained through the condensation of 2-aminothiazole with 3-formyl chromone were synthesized. The compounds were characterized by 1H, 13C NMR, UV-Vis, IR, Mass, EPR, molar conductance and magnetic susceptibility measurements. The Cu(II) complex possesses tetrahedrally distorted square planar geometry whereas Co(II), Ni(II), and Zn(II) show distorted tetrahedral geometry. The VO(IV) complex shows square pyramidal geometry. The cyclic voltammogram of Cu (II) complex showed a well defined redox couple Cu(II)/Cu(I) with quasireversible nature. The antimicrobial activity against the species Pseudomonas aeruginosa, Escherichia coli, Staphylococcus aureus, Bacillus subtilis, Candida albigans and Aspergillus niger was screened and compared to the activity of the ligand. Emission spectrum was recorded for the ligand and the metal(II) complexes. The second harmonic generation (SHG) efficiency was measured and found to have one fourth of the activity of urea. The SEM image of the copper(II) complex implies that the size of the particles is 2 μm.

  1. Coordination behavior of tetraaza [N4] ligand towards Co(II), Ni(II), Cu(II), Cu(I) and Pd(II) complexes: Synthesis, spectroscopic characterization and anticancer activity

    NASA Astrophysics Data System (ADS)

    El-Boraey, Hanaa A.

    2012-11-01

    Novel eight Co(II), Ni(II), Cu(II), Cu(I) and Pd(II) complexes with [N4] ligand (L) i.e. 2-amino-N-{2-[(2-aminobenzoyl)amino]ethyl}benzamide have been synthesized and structurally characterized by elemental analysis, spectral, thermal (TG/DTG), magnetic, and molar conductivity measurements. On the basis of IR, mass, electronic and EPR spectral studies an octahedral geometry has been proposed for Co(II), Ni(II) complexes and Cu(II) chloride complex, square-pyramidal for Cu(I) bromide complex. For Cu(II) nitrate complex (6), Pd(II) complex (8) square planar geometry was proposed. The EPR data of Cu(II) complexes in powdered form indicate dx2-y2 ground state of Cu(II) ion. The antitumor activity of the synthesized ligand and some selected metal complexes has been studied. The palladium(II) complex (8) was found to display cytotoxicity (IC50 = 25.6 and 41 μM) against human breast cancer cell line MCF-7 and human hepatocarcinoma HEPG2 cell line.

  2. Spectroscopic and thermal characterization of Cu(II), Co(II), Ni(II) and Mn(II) complexes of fluorescent dye 4-N,N-dimethyl-ethanolamine-N-allyl-1,8-naphthalimide (4DMEAN)

    NASA Astrophysics Data System (ADS)

    Refat, Moamen S.; Killa, Hamada M. A.; Fetooh, Hammad

    2010-11-01

    Compounds having general formula: [M(4DMEAN) X (Cl) 2(H 2O) Y]· ZH 2O, where (M = Cu(II), Co(II), Ni(II) and Mn(II), 4DMEAN = 4-N,N-dimethyl-ethanolamine-N-allyl-1,8-naphthalimide, X = 1 or 2, Y = 0 or 2 and Z = 1, 2, 4 or 6) have been prepared. The resulted compounds were characterized by elemental analysis, conductivity measurements, magnetic measurements, (infrared, 1H NMR, mass and electronic) spectra and thermogravimetric analysis. The results were suggested that all 4DMEAN complexes formed have a 1:1 M ratio (metal: 4DMEAN) except for Co(II) complex exist as 1:2. The 4DMEAN ligand acts as a neutral bidentate through both of the oxygen atom of ( sbnd C sbnd OCH 2) group and the lone pair of electron on the nitrogen atom of (N(CH 3) 2 group. The molar conductance measurements proved that the 4DMEAN complexes are non-electrolytes. The kinetic thermodynamic parameters such as: E*, Δ H*, Δ S* and Δ G* were estimated from the DTG curves.

  3. Synthesis, spectral, antitumor, antioxidant and antimicrobial studies on Cu(II), Ni(II) and Co(II) complexes of 4-[(1H-Benzoimidazol-2-ylimino)-methyl]-benzene-1,3-diol

    NASA Astrophysics Data System (ADS)

    El-wakiel, Nadia; El-keiy, Mai; Gaber, Mohamed

    2015-08-01

    A new Schiff base of 2-aminobenzimidazole with 2,4-dihydroybezaldehyde (H3L), and its Cu(II), Ni(II) and Co(II) complexes have been synthesized and characterized by elemental analyses, molar conductance, thermal analysis (TGA), inductive coupled plasma (ICP), magnetic moment measurements, IR, EI-mass, UV-Vis. and ESR spectral studies. On the basis of spectral studies and analytical data, it is evident that the Schiff base acts as dibasic tridentate ligand coordinating via deprotonated OH, NH and azomethine nitrogen atom. The results showed that Co(II) and Ni(II) complexes have tetrahedral structure while Cu(II) complexes has octahedral geometry. The kinetic and thermodynamic parameters of the thermal decomposition stages have been evaluated. The studied complexes were tested for their in vitro antimicrobial activities against some bacterial strains. The anticancer activity of the ligand and its metal complexes is evaluated against human liver Carcinoma (HEPG2) cell. These compounds exhibited a moderate and weak activity against the tested HEPG2 cell lines with IC50 of 9.08, 18.2 and 19.7 μg/ml for ligand, Cu(II) and Ni(II) complexes, respectively. In vitro antioxidant activity of the newly synthesized compounds has also been evaluated.

  4. Coordination behavior of tetraaza [N₄] ligand towards Co(II), Ni(II), Cu(II), Cu(I) and Pd(II) complexes: synthesis, spectroscopic characterization and anticancer activity.

    PubMed

    El-Boraey, Hanaa A

    2012-11-01

    Novel eight Co(II), Ni(II), Cu(II), Cu(I) and Pd(II) complexes with [N(4)] ligand (L) i.e. 2-amino-N-{2-[(2-aminobenzoyl)amino]ethyl}benzamide have been synthesized and structurally characterized by elemental analysis, spectral, thermal (TG/DTG), magnetic, and molar conductivity measurements. On the basis of IR, mass, electronic and EPR spectral studies an octahedral geometry has been proposed for Co(II), Ni(II) complexes and Cu(II) chloride complex, square-pyramidal for Cu(I) bromide complex. For Cu(II) nitrate complex (6), Pd(II) complex (8) square planar geometry was proposed. The EPR data of Cu(II) complexes in powdered form indicate d(x2-y2) ground state of Cu(II) ion. The antitumor activity of the synthesized ligand and some selected metal complexes has been studied. The palladium(II) complex (8) was found to display cytotoxicity (IC(50)=25.6 and 41 μM) against human breast cancer cell line MCF-7 and human hepatocarcinoma HEPG2 cell line. PMID:22765944

  5. Synthesis, spectroscopic, antimicrobial and DNA cleavage studies of new Co(II), Ni(II), Cu(II), Cd(II), Zn(II) and Hg(II) complexes with naphthofuran-2-carbohydrazide Schiff base

    NASA Astrophysics Data System (ADS)

    Halli, Madappa B.; Sumathi, R. B.

    2012-08-01

    A series of Co(II), Ni(II), Cu(II), Cd(II), Zn(II) and Hg(II) complexes have been synthesized with newly synthesized Schiff base derived from naphthofuran-2-carbohydrazide and cinnamaldehyde. The elemental analyses of the complexes are confined to the stoichiometry of the type MLCl2 [M = Co(II) and Cu(II)], ML2Cl2 [M = Ni(II), Cd(II), Zn(II) and Hg(II)] respectively, where L is Schiff base ligand. Structures have been proposed from elemental analyses, IR, electronic, mass, 1H NMR, ESR spectral data, magnetic, and thermal studies. The measured low molar conductance values in DMF indicate that the complexes are non-electrolytes. Spectroscopic studies suggest coordination occurs through azomethine nitrogen and carbonyl oxygen of the ligand with the metal ions. The Schiff base and its complexes have been screened for their antibacterial (Escherichia coli, Staphylococcus aureus, Bacillus subtilis and Salmonella typhi) and antifungal (Aspergillus niger, Aspergillus flavus, Cladosporium and Candida albicans) activities by minimum inhibitory concentration (MIC) method. The DNA cleavage studies by agarose gel electrophoresis method was studied for all the complexes.

  6. Co(II), Cd(II), Hg(II) and U(VI)O2 complexes of o-hydroxyacetophenone[N-(3-hydroxy-2-naphthoyl)] hydrazone: Physicochemical study, thermal studies and antimicrobial activity

    NASA Astrophysics Data System (ADS)

    Zaky, R. R.; Yousef, T. A.; Ibrahim, K. M.

    2012-11-01

    The o-Hydroxy acetophenone [N-(3-hydroxy-2-naphthoyl)] hydrazone (H2o-HAHNH) has been prepared and its structure is confirmed by elemental analysis, IR, 1H NMR and 13C NMR spectroscopy. It has been used to produce diverse complexes with Co(II), Cd(II), Hg(II) and U(VI)O2 ions. The isolated complexes have been investigated by elemental analysis, magnetic measurements, molar conductivity, thermal (TG, DTG) and spectral (1H NMR, 13C NMR, IR, UV-visible, MS) studies. Infrared spectra suggested H2o-HAHNH acts as a bidentate and/or tridentate ligand. The electronic spectrum of [Co(Ho-HAHNH)2] complex as well as its magnetic moments suggesting octahedral geometry around Co(II) center. The TG analyses suggest high stability for most complexes followed by thermal decomposition in different steps. Moreover, the kinetic and thermodynamic parameters (Ea, A, ΔH∗, ΔS∗ and ΔG∗) for the different decomposition steps of the [Co(Ho-HAHNH)2] and [Cd(Ho-HAHNH)2] complexes were calculated using the Coats-Redfern and Horowitz-Metzger methods. Moreover, the antibacterial and antifungal activities of the isolated compounds were studied using a wide spectrum of bacterial and fungal strains.

  7. Tetra­amminelithium triamminelithium tris­ulfide, [Li(NH3)4][Li(NH3)3S3

    PubMed Central

    Guentner, Christian; Korber, Nikolaus

    2012-01-01

    The title compound, [Li(NH3)4]+[Li(NH3)3S3]−, an ammo­niate of the previously unknown lithium tris­ulfide, was obtained from the reaction of lithium and sulfur in liquid ammonia. The asymmetric unit consists of two crystallographically independent formula units. The [Li(NH3)4]+ cations are close to regular LiN4 tetra­hedra. The anions contain LiSN3 tetra­hedra; the S—S—S bond angles are 110.43 (5) and 109.53 (5)°. In the crystal, the components are linked by multiple N—H⋯S hydrogen bonds. A weak N—H⋯N hydrogen bond is also present. PMID:23284314

  8. Tetra-amminelithium triamminelithium tris-ulfide, [Li(NH(3))(4)][Li(NH(3))(3)S(3)].

    PubMed

    Guentner, Christian; Korber, Nikolaus

    2012-11-01

    The title compound, [Li(NH(3))(4)](+)[Li(NH(3))(3)S(3)](-), an ammo-niate of the previously unknown lithium tris-ulfide, was obtained from the reaction of lithium and sulfur in liquid ammonia. The asymmetric unit consists of two crystallographically independent formula units. The [Li(NH(3))(4)](+) cations are close to regular LiN(4) tetra-hedra. The anions contain LiSN(3) tetra-hedra; the S-S-S bond angles are 110.43 (5) and 109.53 (5)°. In the crystal, the components are linked by multiple N-H⋯S hydrogen bonds. A weak N-H⋯N hydrogen bond is also present. PMID:23284314

  9. Tetra(1,1,4,4-tetramethyl-6,7-tetralino)porphyrazine as a novel luminescence sensor of laser-induced singlet oxygen generation in solutions

    SciTech Connect

    Krasnovskii, A A; Schweitzer, C; Leismann, H; Tanielian, C; Luk'yanets, Evgenii A

    2000-05-31

    Absorption and fluorescence spectra and quantum yields of fluorescence and singlet oxygen generation were studied in air-saturated solutions of a newly synthesised dye, tetra(1,1,4,4-tetramethyl-6,7-tetralino)porphyrazine (TMTP), in benzene. Photophysical properties of TMTP are similar to those of previously studied tetra(4-tert-butyl) phthalocyanine (TBPc). However, the TMTP absorption and fluorescence bands are shifted to the longer wavelengths compared with those of TBPc. The laser-induced generation of singlet molecular oxygen {sup 1}O{sub 2} in TMTP solutions caused strong singlet oxygen-sensitised delayed fluorescence of the dye. The efficiency of singlet-oxygen-sensitised formation of excited TMTP molecules is two times higher than that of TBPc. It is shown that TMTP can serve as an efficient luminescence sensor of singlet oxygen. (laser applications and other topics in quantum electronics)

  10. Perturbative Handling of the Renner-Teller Effect and Spin-Orbit Coupling in Π Electronic States of Triatomic and Tetra-atomic Molecules

    NASA Astrophysics Data System (ADS)

    Perić, Miljenko; Peyerimhoff, Sigrid D.

    2002-04-01

    Second-order perturbative formulae for handling the Renner-Teller effect combined with the spin-orbit coupling in Π electronic states of triatomic and symmetric (ABBA-type) tetra-atomic molecules with linear equilibrium geometry are derived. Two schemes for partition of the model Hamiltonian are employed: In the first the spin-orbit coupling term is treated as a perturbation, in the second it is included in the zeroth-order Hamiltonian. It is demonstrated that both approaches lead to the same results when the spin-orbit coupling constant is small compared to the bending frequency, but much larger than the splitting of potential surfaces upon bending. The perturbative formulae derived for tetra-atomic molecules are used to compute the spectrum of the X2Πu state of the acetylene ion, employing the parameters obtained in ab initio calculations. The results are compared with those generated in corresponding variational computations.

  11. Design and performance of a ZnSe tetra-prism for homogeneous substrate heating using a CO2 laser for pulsed laser deposition experiments.

    PubMed

    May-Smith, T C; Muir, A C; Darby, M S B; Eason, R W

    2008-04-10

    We report on the design and performance of a ZnSe tetra-prism for homogeneous substrate heating using a continuous wave CO(2) laser beam in pulsed laser deposition experiments. We discuss here three potential designs for homogenizing prisms and use ray-tracing modeling to compare their operation to an alternative square-tapered beam-pipe design. A square-pyramidal tetra-prism design was found to be optimal and was subjected to modeling and experimental testing to determine the influence of interference and diffraction effects on the homogeneity of the resultant intensity profile produced at the substrate surface. A heat diffusion model has been used to compare the temperature distributions produced when using various different source intensity profiles. The modeling work has revealed the importance of substrate thickness as a thermal diffuser in producing a resultant homogeneous substrate temperature distribution. PMID:18404174

  12. (E)-2-Cyano-N′-(1,2,3,4-tetra­hydro­naphthalen-1-yl­idene)acetohydrazide

    PubMed Central

    Al-Omar, Mohamed A.; Khalifa, Nagy M.; Ghabbour, Hazem A.; Chia, Tze Shyang; Fun, Hoong-Kun

    2012-01-01

    In the title compound, C13H13N3O, the tetra­hydro­benzene ring adopts a half-boat (envelope) conformation. The mean plane of the tetra­hydro­naphthalene ring system forms a dihedral angle of 9.56 (6)° with the mean plane of the cyano­acetohydrazide group. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds generate R 2 2(8) loops. The dimers are connected by C—H⋯N hydrogen bonds into a chain propagating along [101]. The crystal packing also features C—H⋯π inter­actions. PMID:22719525

  13. Crystal structure of hexa­kis­(dmpu)-di-μ2-hydroxido-dialuminium tetraiodide dmpu tetra­solvate [dmpu is 1,3-di­methyl­tetra­hydro­pyrimidin-2(1H)-one]: a centrosymmetric dinuclear aluminium complex containing AlO5 polyhedra

    PubMed Central

    Lundberg, Daniel; Lyczko, Krzysztof

    2015-01-01

    The structure of the title compound, [Al2(OH)2(C6H12N2O)6]I4·4C6H12N2O (systematic name: di-μ2-hydroxido-bis­{tris­[1,3-di­methyl­tetra­hydro­pyrimidin-2(1H)-one-κO]aluminium} tetra­iodide 1,3-di­methyl­tetra­hydro­pyrimidin-2(1H)-one tetra­solvate), is composed of two Al(C6H12N2O)3 moieties linked into a centrosymmetric dinuclear unit by a pair of bridging hydroxide ions. The aluminium cations show a distorted trigonal bipyramidal AlO5 coordination environment formed only by monodentate ligands. The Al—O bond lengths are in the range 1.789 (2)–1.859 (2) Å (mean bond length = 1.818 Å). The non-coordinating iodide anions compensate the charge of the complex cation. The remaining solvent mol­ecules and the iodide counter-anions inter­act with the complex cation by weak non-classical C—H⋯I and C—H⋯O hydrogen bonds. PMID:26396749

  14. Crystal structure of cyclo-bis­(μ4-2,2-di­allyl­malonato-κ6 O 1,O 3:O 3:O 1′,O 3′:O 1′)tetra­kis­(triphenyl­phosphane-κP)tetra­silver(I)

    PubMed Central

    Frenzel, Peter; Jakob, Alexander; Schaarschmidt, Dieter; Rüffer, Tobias; Lang, Heinrich

    2014-01-01

    In the tetra­nuclear mol­ecule of the title compound, [Ag4(C9H10O4)2(C18H15P)4], the AgI ion is coordinated by one P and three O atoms in a considerably distorted tetra­hedral environment. The two 2,2-di­allyl­malonate anions bridge four AgI ions in a μ4-(κ6 O 1,O 3:O 3:O 1′,O 3′:O 1′) mode, setting up an Ag4O8P4 core (point group symmetry -4..) of corner-sharing tetra­hedra. The shortest intra­molecular Ag⋯Ag distance of 3.9510 (3) Å reveals that no direct d 10⋯d 10 inter­actions are present. Four weak intra­molecular C—H⋯O hydrogen bonds are observed in the crystal structure of the title compound, which most likely stabilize the tetra­nuclear silver core. PMID:25484645

  15. Tetra­kis(triphenyl­phosphane-κP)silver(I) trifluoro­methane­sulfonate dichloro­methane monosolvate

    PubMed Central

    Jiang, Yu-Hang; Cui, Li-Na; Huang, Xu; Jin, Qiong-Hua; Zhang, Cun-Lin

    2011-01-01

    In the title compound, [Ag(C18H15P)4]CF3O3S·CH2Cl2, the Ag atom is coordinated by four P atoms from four PPh3 ligands. The P—Ag—P angles are in the range 108.02 (6)–110.15 (6)°, which confirms the distorted tetra­hedral environment around the Ag atom. PMID:22219751

  16. catena-Poly[[manganese(II)-tris­(μ-bet­aine-κ2 O:O′)] tetra­bromido­manganate(IV)

    PubMed Central

    Kocadag, Maria; Fleck, Michel; Bohatý, Ladislav

    2008-01-01

    The title compound, [Mn(C5H11NO2)3]·MnBr4, contains polymeric cationic chains of distorted MnO6 octa­hedra and bridging betaine mol­ecules, running parallel to the a axis. There are two distinct Mn2+ cations in the chain, both with site symmetry . Distorted [MnBr4]2− tetra­hedra occupy the spaces between the chains. PMID:21201024

  17. Visible-light-induced water oxidation by a hybrid photocatalyst consisting of bismuth vanadate and copper(II) meso-tetra(4-carboxyphenyl)porphyrin.

    PubMed

    Nakashima, Shu; Negishi, Ryo; Tada, Hiroaki

    2016-03-01

    Copper(II) meso-tetra(4-carboxyphenyl)porphyrin surface-modified monoclinic scheelite bismuth vanadate (CuTCPP/BiVO4) has been synthesized via a two-step route involving chemisorption of TCPP on BiVO4 and successive Cu(II) ion incorporation into the TCPP, and the surface modification drastically enhances the water oxidation to oxygen (O2) under visible-light irradiation (λ > 430 nm). PMID:26853997

  18. Synthesis, crystal structure and properties of a novel tetra-nuclear Cu complex of ANPyO

    SciTech Connect

    Liu Jinjian; Liu Zuliang; Cheng Jian

    2013-01-15

    A transition metal Cu complex with 2,6-diamino-3,5-dinitropyridine-N-oxide (ANPyO) ligand has been synthesized and its crystal structure has been analyzed by X-ray diffraction methods. The crystal belongs to Triclinic system with space group P-1. The cell parameters are a=8.6710(17) nm, b=11.226(2) nm, c=18.741(4) nm, {alpha}=98.26(3), {beta}=102.60(3), {gamma}=109.17(3), V=1635.1(6) nm{sup 3}, D{sub c}=1.957 g/cm{sup 3}, {mu}=2.663 mm{sup -1}, F(000)=968, Z=2, R{sub 1}=0.0764, WR{sub 2}=0.1608. The thermal decomposition process of the title complex was studied by means of the TG-DTG and DSC at a heating rate of 20 K/min. It consists of two slow endothermic peaks and one violent exothermic peak with 37.22% residues. The apparent activation energy and pre-exponential factor of the complex in thermal decomposition process were calculated by means of the Kissinger method and Ozawa-Doyle method. The thermal decomposition of AP was accelerated due to the catalyst of the complex, it suggests that the complex can provide theoretical support to further performance study as it is added to the propellant formulations to regulate the burning rate. - Graphical abstract: A novel tetra-nuclear Cu complex of ANPyO was synthesized and its molecular structure was measured. Highlights: Black-Right-Pointing-Pointer We have synthesized and characterized a new tetra-nuclear Cu complex. Black-Right-Pointing-Pointer We have measured its molecular structure and thermal decomposition. Black-Right-Pointing-Pointer A special coordination mode between ligand and central copper atoms has been obtained. Black-Right-Pointing-Pointer It provides theoretical support to further performance study as energetic catalyst.

  19. Crystal structure of the thermochromic bis­(di­ethyl­ammonium) tetra­chlorido­cuprate(II) complex

    PubMed Central

    Aldrich, Emily P.; Bussey, Katherine A.; Connell, Jennifer R.; Reinhart, Erin F.; Oshin, Kayode D.; Mercado, Brandon Q.; Oliver, Allen G.

    2016-01-01

    In the structure of the title complex salt, (Et2NH2)2[CuCl4], the asymmetric unit consists of four unique di­ethyl­ammonium cations and three unique tetra­chlorido­cuprate anions. Two of the three anions are located with their copper atoms on independent crystallographic twofold axes, while the remaining tetra­chlorido­cuprate is located at a general position of the ortho­rhom­bic space group P21212. Two of the three Cu atoms adopt a distorted square-planar/disphenoidal geometry and the third Cu atom has a regular square-planar coordination environment. The di­ethyl­ammonium cations form an extensive hydrogen-bonded network through N—H⋯Cl inter­actions with the tetra­chlorido­cuprate anions, resulting in a two-dimensional sheet-like hydrogen-bonded network parallel to the ab direction. The complex was observed to undergo a color shift from deep green at room temperature to pale yellow at temperatures above 328 K. PMID:26870581

  20. Crystal structure of non-centrosymmetric bis­(4-meth­oxy­benzyl­ammonium) tetra­chlorido­zincate

    PubMed Central

    Mahbouli Rhouma, Najla; Rayes, Ali; Mezzadri, Francesco; Calestani, Gianluca; Loukil, Mohamed

    2016-01-01

    The structure of the title non-centrosymmetric organic–inorganic hybrid salt, (C8H12NO)2[ZnCl4], consists of two 4-meth­oxy­benzyl­ammonium cations sandwiched between anionic layers, formed by isolated tetra­chlorido­zincate tetra­hedra. The double layers extend parallel to the ac plane. The crystal packing is assured by Coulombic inter­actions and by a complex N—H⋯Cl and C—H⋯Cl hydrogen-bonding system mostly involving the positively charged ammonium groups and the chloride ligands of the isolated tetra­hedral [ZnCl4]2− units. One of the methyl­ene­ammonium groups is disordered over two sets of sites in a 0.48 (2):0.52 (2) ratio. The crystal investigated was twinned by non-merohedry with a twin component ratio of 0.738 (2):0.262 (2). PMID:27555961

  1. Benzene-1,2,4,5-tetra-carb-oxy-lic acid bis-(1,3,7-trimethyl-2,3,6,7-tetra-hydro-1H-purine-2,6-dione).

    PubMed

    Arman, Hadi D; Tiekink, Edward R T

    2013-01-01

    The asymmetric unit of the title co-crystal, C10H6O8·2C8H10N4O2, comprises a centrosymmetric benzene-1,2,4,5-tetra-carb-oxy-lic acid (LH4) mol-ecule and a mol-ecule of caffeine in a general position. LH4 is nonplanar, with the dihedral angles between the ring and pendent carb-oxy-lic acid groups being 44.22 (7) and 49.74 (7)°. By contrast, the caffeine mol-ecule is planar (r.m.s. deviation = 0.040 Å). Supra-molecular layers parallel to (-1-10) are sustained by carb-oxy-lic acid O-H⋯O(carbon-yl) and O-H⋯N(imidazole) hydrogen bonds, as well as by meth-yl-carbonyl C-H⋯O inter-actions. These stack via π-π inter-actions between the benzene and imidazole rings [inter-centroid distance = 3.4503 (10) Å]. PMID:24427071

  2. Crystal structure of N′′-benzyl-N′′-[3-(benzyl­dimethyl­aza­nium­yl)prop­yl]-N,N,N′,N′-tetra­methyl­guanidinium bis­(tetra­phenyl­borate)

    PubMed Central

    Tiritiris, Ioannis; Kantlehner, Willi

    2015-01-01

    In the crystal structure of the title salt, C24H38N4 2+·2C24H20B−, the C—N bond lengths in the central CN3 unit of the guanidinium ion are 1.3364 (13), 1.3407 (13) and 1.3539 (13) Å, indicating partial double-bond character. The central C atom is bonded to the three N atoms in a nearly ideal trigonal–planar geometry and the positive charge is delocalized in the CN3 plane. The bonds between the N atoms and the terminal methyl groups of the guanidinium moiety and the four C—N bonds to the central N atom of the (benzyl­dimethyl­aza­nium­yl)propyl group have single-bond character. In the crystal, C—H⋯π inter­actions between the guanidin­ium H atoms and the phenyl C atoms of the tetra­phenyl­borate ions are present, leading to the formation of a two-dimensional supra­molecular pattern parallel to the ac plane. PMID:26870511

  3. Poly[[diaqua­bis­(μ2-4,4′-bipyrid­yl)cobalt(II)] dinitrate tetra­hydrate

    PubMed Central

    Lehleh, Asma; Boutebdja, Mehdi; Beghidja, Adel; Beghidja, Chahrazed; Merazig, Hocine

    2013-01-01

    The title compound, {[Co(C10H8N2)2(H2O)2](NO3)2·4H2O}n, (C10H8N2 = 4,4′-bipyridine = 4,4′-bpy) is a layered coordination polymer built up from a cationic square grid extending in (101) enclosing uncoordinating nitrate ions and water mol­ecules. The CoII ion has site symmetry 2 and one of the 4,4′-bpy ligands is generated by twofold symmetry [two N atoms and two C atoms lie on the rotation axis and the dihedral angle between the pyridine rings is 45.66 (5)°]. The other 4,4′-bpy ligand is generated by a crystallographic inversion center. The CoII ion exhibits a slightly distorted octa­hedral coordination geometry defined by two O atoms of two coordinating water mol­ecules and four N atoms from four bridging 4,4′-bpy ligands. The structure is consolidated by O—H⋯O, C—H⋯O and C—H⋯N hydrogen bonds. PMID:23633984

  4. Crystal structure of tetra­kis­(isonicotinamide-κN)bis­(thio­cyanato-κN)cobalt(II)–isonicotinamide–ethanol (1/2/1)

    PubMed Central

    Neumann, Tristan; Jess, Inke; Näther, Christian

    2016-01-01

    The asymmetric unit of the title compound, [Co(NCS)2(C6H6N2O)4]·2C6H6N2O·C2H5OH, comprises one CoII cation, two thio­cyanate anions, four coordinating and two solvent isonicotinamide molecules and one ethanol solvent mol­ecule. The CoII cations are octa­hedrally coordinated by four N-coordinating isonicotinamide ligands and two terminally N-bonded thio­cyanate anions. These discrete complexes are linked by inter­molecular N—H⋯O and N—H⋯S hydrogen-bonding inter­actions into a three-dimensional network. The two isonicotinamide and the ethanol solvent mol­ecules are embedded in channels of this network and are linked through further N—H⋯O and N—H⋯N hydrogen bonds to the network. The ethanol solvent mol­ecule is disordered over two sets of sites (occupancy ratio 0.6:0.4). PMID:27536386

  5. Crystal structure of tetra-kis-(isonicotinamide-κN)bis-(thio-cyanato-κN)cobalt(II)-isonicotinamide-ethanol (1/2/1).

    PubMed

    Neumann, Tristan; Jess, Inke; Näther, Christian

    2016-08-01

    The asymmetric unit of the title compound, [Co(NCS)2(C6H6N2O)4]·2C6H6N2O·C2H5OH, comprises one Co(II) cation, two thio-cyanate anions, four coordinating and two solvent isonicotinamide molecules and one ethanol solvent mol-ecule. The Co(II) cations are octa-hedrally coordinated by four N-coordinating isonicotinamide ligands and two terminally N-bonded thio-cyanate anions. These discrete complexes are linked by inter-molecular N-H⋯O and N-H⋯S hydrogen-bonding inter-actions into a three-dimensional network. The two isonicotinamide and the ethanol solvent mol-ecules are embedded in channels of this network and are linked through further N-H⋯O and N-H⋯N hydrogen bonds to the network. The ethanol solvent mol-ecule is disordered over two sets of sites (occupancy ratio 0.6:0.4). PMID:27536386

  6. Growth, crystalline perfection and characterization of Hexaaquanickel(II) dipotassium tetrahydrogen tetra-o-phthalate tetrahydrate crystals

    NASA Astrophysics Data System (ADS)

    Muthu, K.; Bhagavannarayana, G.; Meenakshisundaram, SP

    Pale-green single crystals of hexaaquanickel(II) dipotassium tetrahydrogen tetra-o-phthalate tetrahydrate K2[Ni(H2O)6] (C8H5O4)4·4H2O (PNHP), of dimension ˜33 mm × 18 mm × 4 mm have been grown by slow evaporation solution growth technique (SEST) and modified Sankaranarayanan-Ramasamy (SR) method. The powder XRD profiles and FT-IR are used for identifying the material. The lattice parameters of the as-grown crystals obtained by single crystal X-ray diffraction analysis confirm the formulae. Lower optical cut-off at ˜300 nm and optical transparency in the visible region were observed. The structural perfection of the grown crystal has been analyzed for SEST and SR method grown crystals by high-resolution X-ray diffraction (HRXRD) rocking curves (DC). The DCs of both the specimens are asymmetric with respect to Bragg position and more of scattered intensity in the negative direction is indicative of predominantly vacancy defects. Interestingly, SR method grown crystal has a better crystalline perfection than the conventionally grown crystal. The dielectric, thermal and mechanical behaviors of the specimen were also studied.

  7. Growth, crystalline perfection and characterization of hexaaquanickel(II) dipotassium tetrahydrogen tetra-o-phthalate tetrahydrate crystals.

    PubMed

    Muthu, K; Bhagavannarayana, G; Meenakshisundaram, S P

    2012-06-15

    Pale-green single crystals of hexaaquanickel(II) dipotassium tetrahydrogen tetra-o-phthalate tetrahydrate K(2)[Ni(H(2)O)(6)] (C(8)H(5)O(4))(4)·4H(2)O (PNHP), of dimension ~33 mm × 18 mm × 4 mm have been grown by slow evaporation solution growth technique (SEST) and modified Sankaranarayanan-Ramasamy (SR) method. The powder XRD profiles and FT-IR are used for identifying the material. The lattice parameters of the as-grown crystals obtained by single crystal X-ray diffraction analysis confirm the formulae. Lower optical cut-off at ~300 nm and optical transparency in the visible region were observed. The structural perfection of the grown crystal has been analyzed for SEST and SR method grown crystals by high-resolution X-ray diffraction (HRXRD) rocking curves (DC). The DCs of both the specimens are asymmetric with respect to Bragg position and more of scattered intensity in the negative direction is indicative of predominantly vacancy defects. Interestingly, SR method grown crystal has a better crystalline perfection than the conventionally grown crystal. The dielectric, thermal and mechanical behaviors of the specimen were also studied. PMID:22446778

  8. Self-assembly of PEGylated tetra-phenylalanine derivatives: structural insights from solution and solid state studies

    PubMed Central

    Diaferia, Carlo; Mercurio, Flavia Anna; Giannini, Cinzia; Sibillano, Teresa; Morelli, Giancarlo; Leone, Marilisa; Accardo, Antonella

    2016-01-01

    Water soluble fibers of PEGylated tetra-phenylalanine (F4), chemically modified at the N-terminus with the DOTA chelating agent, have been proposed as innovative contrast agent (CA) in Magnetic Resonance Imaging (MRI) upon complexation of the gadolinium ion. An in-depth structural characterization of PEGylated F4-fibers, in presence (DOTA-L6-F4) and in absence of DOTA (L6-F4), is reported in solution and at the solid state, by a multiplicity of techniques including CD, FTIR, NMR, DLS, WAXS and SAXS. This study aims to better understand how the aggregation process influences the performance of nanostructures as MRI CAs. Critical aggregation concentrations for L6-F4 (43 μM) and DOTA-L6-F4 (75 μM) indicate that self-aggregation process occurs in the same concentration range, independently of the presence of the CA. The driving force for the aggregation is the π-stacking between the side chains of the aromatic framework. CD, FTIR and WAXS measurements indicate an antiparallel β-sheet organization of the monomers in the resulting fibers. Moreover, WAXS and FTIR experiments point out that in solution the nanomaterials retain the same morphology and monomer organizations of the solid state, although the addition of the DOTA chelating agent affects the size and the degree of order of the fibers. PMID:27220817

  9. Selective accumulation of meso-tetra(hydroxyphenyl)chlorin in steroid-synthesizing cells of the rat adrenal gland

    NASA Astrophysics Data System (ADS)

    Colombo-Benkmann, Mario; Muhm, Markus; Gahlen, Johannes; Vry, Magnus-Sebastian; Deubzer, Hedwig; Holloschi, Andreas; Haffner, Matthias; Heym, Christine; Senninger, Norbert

    1998-04-01

    Rat adrenal glands fluoresce intensely after systemic application of meso-tetra(hydroxyphenyl)chlorin (mTHPC). We investigated which parts of the adrenal gland accumulate mTHPC. Furthermore we examined the time course of adrenal mTHPC-accumulation. Ten male Wistar rats each were given 0.5 or 0.7 mg mTHPC kg-1 iv. Each two animals were perfused with normal saline and Zamboni fixative 6, 12, 24, 48 and 72 hours after photosensitization. Untreated animals served as controls. Fluorescence was quantified on 20 micrometer frozen sections with CCD-camera and appropriate software. Immunohistochemistry identified specific cell types with antibodies to steroid-synthesizing enzymes. The cortex exhibited an intense fluorescence, with weaker fluorescence of corticocytes in the zona glomerulosa compared to the other zones. Besides intensely fluorescing singly lying scattered cells, the medulla showed a faint mTHPC-induced fluorescence. Immunohistochemistry revealed that intramedullary cells with intense fluorescence were corticocytes, showing a positive reaction to the 21-(beta) -hydroxylase antibody. Peak accumulation of mTHPC was always observed after 24 hours. Our results indicate for the first time that only steroid synthesizing cells of the adrenal gland exhibit an intense photosensitizer-induced fluorescence. Thus mTHPC-application is an uncomplicated method to identify steroid-synthesizing cells, possibly also in other organs.

  10. The selective interactions of cationic tetra-p-guanidinoethylcalix[4]arene with lipid membranes: theoretical and experimental model studies.

    PubMed

    Korchowiec, Beata; Gorczyca, Marcelina; Rogalska, Ewa; Regnouf-de-Vains, Jean-Bernard; Mourer, Maxime; Korchowiec, Jacek

    2016-01-01

    Behavior of cationic tetra-p-guanidinoethylcalix[4]arene (CX1) and its building block, p-guanidinoethylphenol (mCX1) in model monolayer lipid membranes was investigated using all atom molecular dynamics simulations and surface pressure measurements. Members of two classes of lipids were taken into account: zwitterionic 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) and anionic 1,2-dimyristoyl-sn-glycero-3-phospho-l-serine sodium salt (DMPS) as models of eukaryotic and bacterial cell membranes, respectively. It was demonstrated that CX1 and mCX1 accumulate near the negatively charged DMPS monolayers. The adsorption to neutral monolayers was negligible. In contrast to mCX1, CX1 penetrated into the hydrophobic part of the monolayer. The latter effect, which is possible due to a flip-flop inversion of the CX1 orientation in the lipid layer compared to the aqueous phase, may be responsible for its antibacterial activity. PMID:26451711

  11. Seventy-five-million-year-old tropical tetra-like fish from Canada tracks Cretaceous global warming.

    PubMed

    Newbrey, M G; Murray, A M; Wilson, M V H; Brinkman, D B; Neuman, A G

    2009-11-01

    Newly discovered fossil fish material from the Cretaceous Dinosaur Park Formation of Alberta, Canada, documents the presence of a tropical fish in this northern area about 75 million years ago (Ma). The living relatives of this fossil fish, members of the Characiformes including the piranha and neon tetras, are restricted to tropical and subtropical regions, being limited in their distribution by colder temperatures. Although characiform fossils are known from Cretaceous through to Cenozoic deposits, none has been reported previously from North America. The modern distribution of characiforms in Mexico and southern Texas in the southernmost United States is believed to have been the result of a relatively recent colonization less than 12 Ma. The new Canadian fossils document the presence of these fish in North America in the Late Cretaceous, a time of significantly warmer global temperatures than now. Global cooling after this time apparently extirpated them from the northern areas and these fishes only survived in more southern climes. The lack of early Cenozoic characiform fossils in North America suggests that marine barriers prevented recolonization during warmer times, unlike in Europe where Eocene characiform fossils occur during times of global warmth. PMID:19675010

  12. Laser-induced fluorescence studies of meso-tetra(hydroxyphenyl)chlorin in malignant and normal tissues in rats.

    PubMed

    Alian, W; Andersson-Engels, S; Svanberg, K; Svanberg, S

    1994-11-01

    meso-Tetra(hydroxyphenyl)chlorin (mTHPC) is an attractive second-generation dihydroporphyrin photosensitiser for use in photodynamic therapy. In this study, 1.3 mg kg-1 body weight mTHPC was administered intravenously, and laser-induced fluorescence was used to characterise and compare its localisation and retention in different rat tissues, including an induced experimental adenocarcinoma, 24 h and 48 h post injection. These studies were performed in an attempt to predict the anatomical locations where mTHPC PDT might be most effective and suggest suitable injection--irradiation intervals in each case. Of particular interest were the intra-abdominal and intrathoracic tissues. The fluorescence was induced at 405 nm and the fluorescence spectrum in the region 450-750 nm was analysed. All collected spectra were dominated by the fluorescence signature of mTHPC with its peak at 652 nm, and all values in this study are in terms of background-free drug-specific fluorescence intensity at that wavelength. The photosensitiser accumulated in high concentrations in the tumour and the reticuloendothelial system. Muscular organs, such as the heart and the abdominal wall, were characterised by a low drug fluorescence signature. PMID:7947093

  13. Self-assembly of PEGylated tetra-phenylalanine derivatives: structural insights from solution and solid state studies.

    PubMed

    Diaferia, Carlo; Mercurio, Flavia Anna; Giannini, Cinzia; Sibillano, Teresa; Morelli, Giancarlo; Leone, Marilisa; Accardo, Antonella

    2016-01-01

    Water soluble fibers of PEGylated tetra-phenylalanine (F4), chemically modified at the N-terminus with the DOTA chelating agent, have been proposed as innovative contrast agent (CA) in Magnetic Resonance Imaging (MRI) upon complexation of the gadolinium ion. An in-depth structural characterization of PEGylated F4-fibers, in presence (DOTA-L6-F4) and in absence of DOTA (L6-F4), is reported in solution and at the solid state, by a multiplicity of techniques including CD, FTIR, NMR, DLS, WAXS and SAXS. This study aims to better understand how the aggregation process influences the performance of nanostructures as MRI CAs. Critical aggregation concentrations for L6-F4 (43 μM) and DOTA-L6-F4 (75 μM) indicate that self-aggregation process occurs in the same concentration range, independently of the presence of the CA. The driving force for the aggregation is the π-stacking between the side chains of the aromatic framework. CD, FTIR and WAXS measurements indicate an antiparallel β-sheet organization of the monomers in the resulting fibers. Moreover, WAXS and FTIR experiments point out that in solution the nanomaterials retain the same morphology and monomer organizations of the solid state, although the addition of the DOTA chelating agent affects the size and the degree of order of the fibers. PMID:27220817

  14. Controlled tetra-Fc sialylation of IVIg results in a drug candidate with consistent enhanced anti-inflammatory activity

    PubMed Central

    Washburn, Nathaniel; Schwab, Inessa; Ortiz, Daniel; Bhatnagar, Naveen; Lansing, Jonathan C.; Medeiros, Amy; Tyler, Steven; Mekala, Divya; Cochran, Edward; Sarvaiya, Hetal; Garofalo, Kevin; Meccariello, Robin; Meador, James W.; Rutitzky, Laura; Schultes, Birgit C.; Ling, Leona; Avery, William; Nimmerjahn, Falk; Manning, Anthony M.; Kaundinya, Ganesh V.; Bosques, Carlos J.

    2015-01-01

    Despite the beneficial therapeutic effects of intravenous immunoglobulin (IVIg) in inflammatory diseases, consistent therapeutic efficacy and potency remain major limitations for patients and physicians using IVIg. These limitations have stimulated a desire to generate therapeutic alternatives that could leverage the broad mechanisms of action of IVIg while improving therapeutic consistency and potency. The identification of the important anti-inflammatory role of fragment crystallizable domain (Fc) sialylation has presented an opportunity to develop more potent Ig therapies. However, translating this concept to potent anti-inflammatory therapeutics has been hampered by the difficulty of generating suitable sialylated products for clinical use. Therefore, we set out to develop the first, to our knowledge, robust and scalable process for generating a well-qualified sialylated IVIg drug candidate with maximum Fc sialylation devoid of unwanted alterations to the IVIg mixture. Here, we describe a controlled enzymatic, scalable process to produce a tetra-Fc–sialylated (s4-IVIg) IVIg drug candidate and its qualification across a wide panel of analytic assays, including physicochemical, pharmacokinetic, biodistribution, and in vivo animal models of inflammation. Our in vivo characterization of this drug candidate revealed consistent, enhanced anti-inflammatory activity up to 10-fold higher than IVIg across different animal models. To our knowledge, this candidate represents the first s4-IVIg suitable for clinical use; it is also a valuable therapeutic alternative with more consistent and potent anti-inflammatory activity. PMID:25733881

  15. Embryonic and Morphological Development of Larvae and Juvenile of the Buenos Aires Tetra, Hyphessobrycon anisitsi (Pisces Characidae) Characidae Fishes

    PubMed Central

    Park, Jae-Min; Han, Kyeong-Ho; Han, Ran

    2015-01-01

    We have launched an investigation for Embryonic Development, Larvae and Juvenile Morphology, of Buenos aires tetra in order to build basic data of Characidae and fish seeding production. We brought 50 couples of Characidae from Bizidduck aquarium in Yeosu-si, Jeollanamdo, from Korea on March of 2015. We put them in the tetragonal glass aquarium (50×50×30 cm). Breeding water temperature was 27.5~28.5°C (mean 28.0±0.05°C) and being maintained. The shape of fertilized egg was round shape, and it was adhesive demersal egg. The egg size was 0.63~0.91 mm (mean 0.74±0.07 mm, n=20). After getting fertilized egg, the developmental stage was gastrula stage, and embryo covered almost two-thirds of Yolk. Incubation was happened after 16 hours 13 minutes from gastrula stage, and the tail of juvenile came out first with tearing egg capsule. Immediately after the incubation, prelarvae had 3.78~3.88 mm length (mean 3.84±0.04 mm, n=5), and it had no mouth and anus yet. 34 days after hatching from the incubation, juvenile had 8.63~13.1 mm (mean 10.9±1.66 mm), and it had similar silver-colored body shape with its mother. PMID:25949207

  16. Influence of solvent polarity on the structure of drop-cast electroactive tetra(aniline)-surfactant thin films.

    PubMed

    Dane, Thomas G; Bartenstein, Julia E; Sironi, Beatrice; Mills, Benjamin M; Alexander Bell, O; Emyr Macdonald, J; Arnold, Thomas; Faul, Charl F J; Briscoe, Wuge H

    2016-09-21

    The influence of processing conditions on the thin film microstructure is a fundamental question that must be understood to improve the performance of solution-processed organic electronic materials. Using grazing-incidence X-ray diffraction, we have studied the structure of thin films of a tetra(aniline)-surfactant complex prepared by drop-casting from five solvents (hexane, chloroform, tetrahydrofuran, dichloromethane and ethanol), selected to cover a range of polarities. We found that the structure, level of order and degree of orientation relative to the substrate were extremely sensitive to the solvent used. We have attempted to correlate such solvent sensitivity with a variety of solvent physical parameters. Of particular significance is the observation of a sharp structural transition in the thin films cast from more polar solvents; such films presented significantly greater crystallinity as measured by the coherence length and paracrystalline disorder parameter. We attribute this higher structural order to enhanced dissociation of the acid surfactant in the more polar solvents, which in turn promotes complex formation. Furthermore, the more polar solvents provide more effective screening of (i) the attractive ionic interaction between oppositely charged molecules, providing greater opportunity for dynamic reorganisation of the supramolecular aggregates into more perfect structures; and (ii) the repulsive interaction between the positively charged blocks permitting a solvophobic-driven aggregation of the aromatic surfaces during solvent evaporation. PMID:27539382

  17. Structural differences in two polymorphs of tetra-kis-(dimethylamino)-ethylene-C{sub 60}: An x-ray diffraction study

    SciTech Connect

    Fujiwara, Motoyasu; Kambe, Takashi; Oshima, Kokichi

    2005-05-01

    A type of low-temperature structure for ferromagnetic {alpha}-tetra-kis (dimethylamino)-ethylene (TDAE)-C{sub 60} is proposed on the basis of low-temperature x-ray analysis. We observed that intense superlattice reflections with odd indices successively appeared below T{sub s}=170 K. The space group symmetry of the low-temperature phase is determined to be P2{sub 1}/n. Two inequivalent C{sub 60} sites exist in the low-temperature phase, which are indispensable to the orbital ordering model of C{sub 60}. The contact configuration for the neighboring C{sub 60}s along the stacking c direction is uniquely determined. The double bond between the hexagons faces the neighboring pentagon. We found that the surrounding TDAE molecules shift along the c axis ({approx}0.07 A) and that these shifts correlate perfectly to the alignment of C{sub 60}. This result indicates that the steric effect between C{sub 60} and TDAE molecules plays an important role in the orientational ordering of C{sub 60}. On the other hand, in the {alpha}{sup '} phase, no structural phase transition was observed below 30 K. This indicates that all the C{sub 60}s are crystallographically equivalent. Structural differences separate the magnetic peculiarities of the two polymorphs in TDAE-C{sub 60}.

  18. Construction of surfactant-like tetra-tail amphiphilic peptide with RGD ligand for encapsulation of porphyrin for photodynamic therapy.

    PubMed

    Chen, Jing-Xiao; Wang, Hui-Yuan; Li, Cao; Han, Kai; Zhang, Xian-Zheng; Zhuo, Ren-Xi

    2011-02-01

    A surfactant-like tetra-tail amphiphilic peptide, [(C(18))(2)K](2)KR(8)GRGDS was designed and synthesized for targeted drug delivery. The resulting peptide-amphiphile, consisting of four hydrophobic aliphatic tails and a hydrophilic peptide head group, was able to self-assemble into nanosized micelles in aqueous medium at low concentration. Ibuprofen and doxorubicin (DOX) was loaded into peptide micelles as model hydrophobic drugs respectively, and the sustained release behavior was observed. Due to the incorporation of targeted arginine-glycine-aspartic acid (RGD) sequences and cell penetrating peptide (CPP) residue octaarginine (R(8)), the micelles could be recognized specifically by cancer cells, as well as transport through the cell membrane efficiently. The observation of laser-scanning confocal microscopy confirmed effective cellular uptaking of porphyrin-loaded peptide micelles. Furthermore, the porphyrin-loaded micelles exhibited low dark toxicity and high phototoxicity against cancer cells, indicating the powerful potential for effective photodynamic therapy. Combined with the low cytotoxicity of the peptide against both HeLa and 293T cell lines, the surfactant-like peptide developed in this study may be promising in clinical application for targeted drug delivery. PMID:21084116

  19. Separation properties of aluminium-plastic laminates in post-consumer Tetra Pak with mixed organic solvent.

    PubMed

    Zhang, S F; Zhang, L L; Luo, K; Sun, Z X; Mei, X X

    2014-04-01

    The separation properties of the aluminium-plastic laminates in postconsumer Tetra Pak structure were studied in this present work. The organic solvent blend of benzene-ethyl alcohol-water was used as the separation reagent. Then triangle coordinate figure analysis was taken to optimize the volume proportion of various components in the separating agent and separation process. And the separation temperature of aluminium-plastic laminates was determined by the separation time, efficiency, and total mass loss of products. The results show that cost-efficient separations perform best with low usage of solvents at certain temperatures, for certain times, and within a certain range of volume proportions of the three components in the solvent agent. It is also found that similar solubility parameters of solvents and polyethylene adhesives (range 26.06-34.85) are a key factor for the separation of the aluminium-plastic laminates. Such multisolvent processes based on the combined-system concept will be vital to applications in the recycling industry. PMID:24622294

  20. Molecular cloning of cDNA encoding a novel platelet-endothelial cell tetra-span antigen, PETA-3.

    PubMed

    Fitter, S; Tetaz, T J; Berndt, M C; Ashman, L K

    1995-08-15

    Platelet-endothelial cell tetra-span antigen (PETA-3) was originally identified as a novel human platelet surface glycoprotein, gp27, which was detected by a monoclonal antibody (MoAb), 14A2.H1. Although this glycoprotein is present in low abundance on the platelet surface, MoAb 14A2.H1 stimulates platelet aggregation and mediator release. We now report isolation of a cDNA clone encoding PETA-3 from a library derived from the megakaryoblastic leukemia cell line MO7e. The clone encodes an open reading frame of 253 amino acids that displays 25% to 30% amino acid sequence identity with several members of the newly defined Tetraspan, or Transmembrane 4 superfamily. These proteins consist of four conserved putative transmembrane domains with a large divergent extracellular loop between the third and fourth membrane-spanning regions. PETA-3 has a single consensus sequence for N-linked glycosylation located in this extracellular loop. A single PETA-3 RNA transcript (1.6 kb) was detected in RNA isolated from MO7e cells, bone marrow stromal cells, the C11 endothelial cell line, and several myeloid leukemia cell lines. No transcript was detected in the lymphoblastoid cell lines MOLT-4 and BALM-1. This pattern correlates well with previous protein expression data. Northern blot analysis of RNA from a range of human tissues indicated that the transcript was present in most tissues, the notable exception being brain. PMID:7632941

  1. In vitro cytotoxicity assessment of [5,10,15,20-tetra (4-sulfophenyl) porphyrin] on tumor and nontumor cell lines

    NASA Astrophysics Data System (ADS)

    Alexandrova, R.; Sabotinov, O.; Stoykova, Elena V.; Ion, Rodica-Mariana; Shurulinkov, Stanislav; Minchev, Georgi

    2004-06-01

    In this study we evaluate the cytotoxicity of 5,10,15,20- tetra (4-sulfophenyl) porphyrins on a tumor cell line LSCC-SF-Mc29, obtained from a transplantable chicken hepatoma induced by the myelocytomatosis virus Mc29, a timor line LSR-SF-SR, obtained from a transplantable sarcoma in rat induced by Rous sarcoma virus strain Schmidt-Ruppin and for normal mouse cell line (BALB/c-3T3-A31) and bovine kidney cell line (MDBK). The cells were exposed to irradiation from a pulsed CuBr vapor laser system at 510.6 nm and 578.2 nm at fluence rate 50 mW/cm2 and pulse frequency rate 20 kHz. The viability of cells was determined by the neutral red uptake cytotoxicity assay. The light dose-response curves and light exposures that ensure viability drop to 50 % were obtained for each cell line. The cytotoxic effect of TS4PP is most distinguished for LSCC-SF-Mc29. The bovine cell line is more vulnerable than the mouse line, especially at 510.6 nm. The 2-4 times higher viability of the normal cell lines in comparison with the tumor lines has been obtained.

  2. Supramolecular architectures in Co(II) and Cu(II) complexes with thiophene-2-carboxylate and 2-amino-4,6-dimethoxypyrimidine ligands.

    PubMed

    Karthikeyan, Ammasai; Thomas Muthiah, Packianathan; Perdih, Franc

    2016-05-01

    The coordination chemistry of mixed-ligand complexes continues to be an active area of research since these compounds have a wide range of applications. Many coordination polymers and metal-organic framworks are emerging as novel functional materials. Aminopyrimidine and its derivatives are flexible ligands with versatile binding and coordination modes which have been proven to be useful in the construction of organic-inorganic hybrid materials and coordination polymers. Thiophenecarboxylic acid, its derivatives and their complexes exhibit pharmacological properties. Cobalt(II) and copper(II) complexes of thiophenecarboxylate have many biological applications, for example, as antifungal and antitumor agents. Two new cobalt(II) and copper(II) complexes incorporating thiophene-2-carboxylate (2-TPC) and 2-amino-4,6-dimethoxypyrimidine (OMP) ligands have been synthesized and characterized by X-ray diffraction studies, namely (2-amino-4,6-dimethoxypyrimidine-κN)aquachlorido(thiophene-2-carboxylato-κO)cobalt(II) monohydrate, [Co(C5H3O2S)Cl(C6H9N3O2)(H2O)]·H2O, (I), and catena-poly[copper(II)-tetrakis(μ-thiophene-2-carboxylato-κ(2)O:O')-copper(II)-(μ-2-amino-4,6-dimethoxypyrimidine-κ(2)N(1):N(3))], [Cu2(C5H3O2S)4(C6H9N3O2)]n, (II). In (I), the Co(II) ion has a distorted tetrahedral coordination environment involving one O atom from a monodentate 2-TPC ligand, one N atom from an OMP ligand, one chloride ligand and one O atom of a water molecule. An additional water molecule is present in the asymmetric unit. The amino group of the coordinated OMP molecule and the coordinated carboxylate O atom of the 2-TPC ligand form an interligand N-H...O hydrogen bond, generating an S(6) ring motif. The pyrimidine molecules also form a base pair [R2(2)(8) motif] via a pair of N-H...N hydrogen bonds. These interactions, together with O-H...O and O-H...Cl hydrogen bonds and π-π stacking interactions, generate a three-dimensional supramolecular architecture. The one

  3. Cooperative metal-ligand assisted E/Z isomerization and cyano activation at Cu(II) and Co(II) complexes of arylhydrazones of active methylene nitriles.

    PubMed

    Mahmudov, Kamran T; Kopylovich, Maximilian N; Sabbatini, Alessandra; Drew, Michael G B; Martins, Luísa M D R S; Pettinari, Claudio; Pombeiro, Armando J L

    2014-09-15

    New (E/Z)-2-(2-(1-cyano-2-methoxy-2-oxoethylidene)hydrazinyl)benzoic acid (H2L(4)) and known sodium 2-(2-(dicyanomethylene)hydrazinyl)benzenesulfonate (NaHL(1)), 2-(2-(dicyano-methylene)hydrazinyl)benzoic acid (H2L(2)), and sodium (E/Z)-2-(2-(1-cyano-2-methoxy-2-oxoethylidene)hydrazinyl)benzenesulfonate (NaHL(3)) were used in the template synthesis of a series of Cu(II) and Co(II) complexes [Cu(H2O)2L(1a)]·H2O (1), [Cu(H2O)(3-pyon)L(1b)]·H2O (2), [Cu(H2O)(4-pyon)L(1b)] (3), [Co(H2O)((CH3)2NCHO)(μ-L(2a))]2·(CH3)2NCHO (4), [Cu3(μ3-OH)(NO3)(CH3OH)(μ2-X)3(μ2-HL(3))] (5), [Cu(H2O)(py)L(3)]·H2O (6), [Cu(H2O)2(μ-L(4))]6·6H2O (7), [Cu(2-cnpy(b))2(L(1b))2]·2H2O (8), [Cu(2-cnpy(a))2(L(1a))2]·2H2O (9), and [Cu(H2O)(4-cnpy)(L(1a))2] (10), where 3-pyon = 1-(pyridin-3-yl)ethanone, 4-pyon = 1-(pyridin-4-yl)ethanone, py = pyridine, HX = syn-2-pyridinealdoxime, 4-cnpy = 4-cyanopyridine; 2-cnpy(a), 2-cnpy(b), L(1a), L(1b), L(2a) are the ligands derived from nucleophilic attack of methanol (a) or water (b) on a cyano group of 2-cyanopyridine (2-cnpy), L(1) or L(2), respectively, giving the corresponding iminoesters (2-cnpy(a), L(1a) or L(2a)) or carboxamides (2-cnpy(b) or L(1b)). An auxiliary ligand, namely syn-2-pyridinealdoxime or pyridine, acting cooperatively with the metal ion (Cu(II) in this case), induced an E/Z isomerization of the H2L(4) ligand; the E- and Z-isomers were isolated separately and fully characterized (compounds 9 and 10, respectively). A one-pot activation of nitrile groups in different molecules was achieved in the syntheses of 8 and 9. Complexes 1-10 are catalyst precursors for the solvent-free microwave (MW)-assisted selective oxidation of secondary alcohols to the corresponding ketones, with typical yields in the 29-99% range (TOFs up to 4.94 × 10(3) h(-1)) after 30 min of MW irradiation. PMID:25148569

  4. Crystal structure of N-[3-(di­methyl­amino)­prop­yl]-N′,N′,N′′,N′′-tetra­methyl-N-(N,N,N′,N′-tetra­methyl­form­amid­in­ium­yl)guanidinium bis­(tetra­phenyl­borate)

    PubMed Central

    Tiritiris, Ioannis; Kantlehner, Willi

    2015-01-01

    In the title salt, C15H36N6 2+·2C24H20B−, the three N—C bond lengths in the central C3N unit of the bis­amidinium ion range between 1.388 (3) and 1.506 (3) Å, indicating single- and double-bond character. Furthermore, four C—N bonds have double-bond character. Here, the bond lengths range from 1.319 (3) to 1.333 (3) Å. Delocalization of the positive charges occurs in the N/C/N and C/N/C planes. The dihedral angle between both N/C/N planes is 70.5 (2)°. In the crystal, C—H⋯π inter­actions between H atoms of the cation and the benzene rings of both tetra­phenyl­borate ions are present. The benzene rings form aromatic pockets, in which the bis­amidinium ion is embedded. This leads to the formation of a two-dimensional supra­molecular pattern along the ab plane. PMID:26870490

  5. Spectroscopic and thermal degradation behavior of Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) complexes with thiopental sodium anesthesia drug

    NASA Astrophysics Data System (ADS)

    Refat, Moamen S.

    2013-04-01

    A new series of Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) complexes have been synthesized with thiopental sodium anesthesia drug. The elemental analyses of the complexes are confined to stoichiometry of the formulas [M(TPL)3]ṡnH2O (M = Cr(III) or Fe(III); n = 6 or 5), [M(TPL)2(H2O)2]ṡnH2O (M = Mn(II), Co(II) or Ni(II); n = 0 or 4), and [M(TPL)2] (M = Cu(II) or Zn(II); n = 2 or 0) respectively, where TPL is thiopental chelating agent. Structures have been discussed and suggested upon elemental analyses, infrared, Raman, electronic, electron spin resonance, 1H NMR spectral data and magnetic studies. The X-ray powder diffraction (XRD) was performed of metal complexes. The XRD patterns indicate crystalline nature for the complexes. The measured low molar conductance values in dimethylsulfoxide indicate that the complexes are non-electrolyte nature. Spectroscopic discussion refer that coordination take place through three types: Cdbnd N (pyrimidine moiety) nitrogen and C2sbnd S (2-thiolate group) for Cr(III), Mn(II) and Fe(III), C6dbnd O (amido group) oxygen and C2sbnd S (2-thiolate group) for Co(II) and Ni(II), and Cu(II) and Zn(II) ions coordinated via Cdbnd N (pyrimidine moiety) nitrogen, C2dbnd S (2-thiolate group) and C6dbnd O (amido group) oxygen, respectively. The thermal behavior (TG/DTG/DTA) of the complexes was studied and kinetic parameters were determined by Horowitz-Metzger and Coats-Redfern methods. The thiopental and its complexes have been screened for their antimicrobial (G+ and G-) bacteria (Escherichia coli, Staphylococcus aureus, Bacillus subtilis and Pseudomonas aeruginosa) and fungi (Aspergillus flavus and Candida albicans) activities by minimum inhibitory concentration (MIC) method.

  6. Crystal structure of di-μ-chloro-acetato-hexa-kis-(di-methyl-formamide)-tetra-kis-(μ-N,2-dioxido-benzene-1-carboximidato)tetra-manganese(III)disodium dimethyl-formamide disolvate.

    PubMed

    Daly, Connor I; Zeller, Matthias; Zaleski, Curtis M

    2014-12-01

    The synthesis, crystal structure, and FT-IR data for the title compound, [Na2Mn4(C2H2ClO2)2(C7H4NO3)4(C3H7NO)6]·2C3H7NO or Na2(O2CCH2Cl)2[12-MCMn(III) N(shi)-4](DMF)6·2DMF, where MC is metallacrown, shi(3-) is salicyl-hydroximate, and DMF is N,N-di-methyl-formamide, is reported. The macrocyclic metallacrown consists of an -[Mn(III)-N-O]4- ring repeat unit and the metallacrown captures two Na(+) ions in the central cavity above and below the plane of the metallacrown. Each Na(+) ion is seven-coordinate and is bridged to two ring Mn(III) ions, through either a coordinating DMF mol-ecule or a chloro-acetate anion. The ring Mn(III) ions have either a tetra-gonally distorted octa-hedral geometry or a distorted square-pyramidal geometry. Weak C-H⋯O inter-actions, in addition to pure van der Waals forces, contribute to the overall packing of the mol-ecules. The complete molecule has inversion symmetry and is disordered over two sets of sites with an occupancy ratio of 0.8783 (7):0.1217 (7). The solvent molecule is also disordered over two sets of sites, with an occupancy ratio of 0.615 (5):0.385 (5). PMID:25552975

  7. Synthesis, Characterization and Antiproliferative Activity of the Co(II), Ni(II), Cu(II), Pd(II) and Pt(II) Complexes of 2-(4-Thiazolyl)Benzimidazole (Thiabendazole)

    PubMed Central

    Glowiak, Tadeusz; Opolski, Adam; Wietrzyk, Joanna

    2001-01-01

    Complexes of 2-(4-thiazolyi)benzimidazole (thiabendazole, THBD) with Co(II), Ni(II), Cu(ll) of general formula ML2(NO3)2 H2O and complexes of Pd(II) and Pt(II) of general formula ML2Cl2 H2O have been obtained and characterized by elemental analyses, IR and far IR spectroscopy and magnetic measurements. The X-ray crystal structure of the copper(II) complex has been determined. The in vitro cell proliferation inhibitory activity of these compounds was examined against human cancer cell lines A 549 (lung carcinoma), HCV-29 T (urinary bladder carcinoma), MCF-7 (breast cancer), T47D (breast cancer), MES-SA (uterine carcinoma) and HL-60 (promyelocytic leukemia). Pt-THBD has been found to exhibit an antileukemic activity of the HL-60 line cells matching that of an arbitrary criterion. PMID:18475995

  8. Synthesis, spectroscopic characterization and biological activities of N4O2 Schiff base ligand and its metal complexes of Co(II), Ni(II), Cu(II) and Zn(II)

    NASA Astrophysics Data System (ADS)

    Al-Resayes, Saud I.; Shakir, Mohammad; Abbasi, Ambreen; Amin, Kr. Mohammad Yusuf; Lateef, Abdul

    The Schiff base ligand, bis(indoline-2-one)triethylenetetramine (L) obtained from condensation of triethylenetetramine and isatin was used to synthesize the complexes of type, [ML]Cl2 [M = Co(II), Ni(II), Cu(II) and Zn(II)]. L was characterized on the basis of the results of elemental analysis, FT-IR, 1H and 13C NMR, mass spectroscopic studies. The stoichiometry, bonding and stereochemistries of complexes were ascertained on the basis of results of elemental analysis, magnetic susceptibility values, molar conductance and various spectroscopic studies. EPR, UV-vis and magnetic moments revealed an octahedral geometry for complexes. L and its Cu(II) and Zn(II) complexes were screened for their antibacterial activity. Analgesic activity of Cu(II) and Zn(II) complexes was also tested in rats by tail flick method. Both complexes were found to possess good antibacterial and moderate analgesic activity.

  9. Adsorption of Co(II), Ni(II), Cu(II), and Zn(II) on hexagonal templated zirconia obtained thorough a sol-gel process: the effects of nanostructure on adsorption features.

    PubMed

    de Farias, Robson F; do Nascimento, Ana A S; Bezerra, Cícero W B

    2004-09-01

    Using zirconium tetrabutoxide, diaminedecane, and diamineoctane as precursors, a templated hexagonal zirconia matrix is synthesized and characterized by X-ray diffractometry and scanning electron microscopy. The adsorption capacity of such a matrix toward Co(II), Ni(II), Cu(II), and Zn(II) from aqueous solutions is studied. The adsorption affinity of the synthesized hexagonal templated zirconia toward the cations is Cu(II)>Zn(II) >Ni(II)>Co(II). It is also verified that the adsorption of the cations follows a Langmuir and not a Freundlich isotherm. All obtained isotherms are of type I, according to the IUPAC classification. The observed adsorption affinity sequence can be explained by taking into account the velocity constant for the substitution of water molecules into the cation coordination spheres, as well as the Irving-Williams series. PMID:15276032

  10. Synthesis, structural characterization, thermal and electrochemical studies of the N, N'-bis[(3,4-dichlorophenyl)methylidene]cyclohexane-1,4-diamine and its Cu(II), Co(II) and Ni(II) metal complexes

    NASA Astrophysics Data System (ADS)

    Dolaz, Mustafa; McKee, Vickie; Gölcü, Ayşegül; Tümer, Mehmet

    2009-01-01

    In this study, N, N'-bis[(3,4-dichlorophenyl)methylidene]cyclohexane-1,4-diamine (L) and its Cu(II), Co(II) and Ni(II) complexes were prepared and characterized by the analytical and spectroscopic methods. The analytical data show the composition of the metal complex to be [M 2L(Cl) 4(H 2O) 2], where L is the Schiff base ligand. The conductance data indicate that all the complexes are non-electrolytes. The compound (L) behaves as a monodentate ligand. But, obtained complexes have binuclear nature. The electrochemical properties of the metal complexes are dependent on reversible, irreversible and quasi-reversible redox waves in the anodic and cathodic regions due to oxidation and reduction of the metal ions. The single crystal of the ligand (L) was obtained from CH 3CN solution. Space group and crystal system of the ligand are P2 1/ C and monoclinic, respectively.

  11. Synthesis, characterization of complexes of Co(II), Ni(II), Cu(II) and Zn(II) with 12-membered Schiff base tetraazamacrocyclic ligand and the study of their antimicrobial and reducing power.

    PubMed

    Shakir, Mohammad; Azim, Yasser; Chishti, Hamida-Tun-Nisa; Parveen, Shama

    2006-10-01

    Schiff base tetraazamacrocyclic ligand, L (C(40)H(28)N(4)) and its complexes of types, [MLX(2)] and [CuL]X(2) (M=Co(II), Ni(II), Zn(II); X=Cl(-), NO(3)(-)) were synthesized and characterized by elemental analyses, mass, (1)H NMR, IR, UV-vis, magnetic susceptibility and molar conductance data. An octahedral geometry has been proposed for all the complexes except the copper(II) complexes which have a square planar environment. The reducing power of the Co(II) and Cu(II) complexes have been checked and compared. The ligand (L) and its complexes have also been screened against different fungi and bacteria in vitro. PMID:16522375

  12. Synthesis, investigation and spectroscopic characterization of piroxicam ternary complexes of Fe(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) with glycine and DL-phenylalanine

    NASA Astrophysics Data System (ADS)

    Mohamed, Gehad G.; El-Gamel, Nadia E. A.

    2004-11-01

    The ternary piroxicam (Pir; 4-hydroxy-2-methyl- N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide) complexes of Fe(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) with various amino acids (AA) such as glycine (Gly) or DL-phenylalanine (PhA) were prepared and characterized by elemental analyses, molar conductance, IR, UV-Vis, magnetic moment, diffuse reflectance and X-ray powder diffraction. The UV-Vis spectra of Pir and the effect of metal chelation on the different interligand transitions are discussed in detailed manner. IR and UV-Vis spectra confirm that Pir behaves as a neutral bidentate ligand coordinated to the metal ions via the pyridine- N and carbonyl group of the amide moiety. Gly molecule acted as a uninegatively monodentate ligand and coordinate to the metal ions through its carboxylic group, in addition PhA acted as a uninegatively bidentate ligand and coordinate to the metal ions through its carboxylic and amino groups. All the chelates have octahedral geometrical structures while Cu(II)- and Zn(II)-ternary chelates with PhA have square planar geometrical structures. The molar conductance data reveal that most of these chelates are non electrolytes, while Fe(III)-Pir-Gly, Co(II)-, Ni(II)-, Cu(II)- and Zn(II)-Pir-PhA cheletes were 1:1 electrolytes. X-ray powder diffraction is used as a new tool to estimate the crystallinity of chelates as well as to elucidate their geometrical structures.

  13. Theoretical and experimental studies of two Co(II) and Ni(II) coordination complex with N,O donor 2-chloro-6-{[(4-hydroxy-3-methoxyphenyl)methylidene]amino}-4 nitrophenol ligand

    NASA Astrophysics Data System (ADS)

    Kusmariya, Brajendra S.; Tiwari, Sandeep; Tiwari, Anjali; Mishra, A. P.; Naikoo, Gowhar Ahmad; Pandit, Umar J.

    2016-07-01

    Here we report two mononuclear Co(II) and Ni(II) complexes of general formula [M(L)2(H2O)].2H2O; {M = CoII & NiII} derived from bidentate 2-chloro-6-{[(4-hydroxy-3-methoxyphenyl)methylidene]amino}-4 nitrophenol ligand (HL). These compounds were characterized by elemental analysis, spectral (FT-IR, electronic and 1H-NMR), molar conductance, thermal, PXRD, SEM and electrochemical studies. Distorted octahedral geometry was proposed around the metal center with ligand (HL). The PXRD and SEM analysis shows the crystalline nature of complexes. The broadening of diffraction peaks were explained in terms of domain size and the lattice strain according to Scherrer and Williamson-Hall method. TG of the synthesized complexes illustrates their general decomposition pattern and thermal stability. The kinetic and thermodynamic parameters viz. activation energy (E∗), pre-exponential factor (Z), entropy of activation (ΔS∗), enthalpy of activation (ΔH∗) and free energy of activation (ΔG∗) of degradation process were also evaluated using Coats-Redfern (C-R), Piloyan-Novikova (P-N) and Horowitz-Metzger (H-M) methods for both complexes assuming first order degradation. The optical band gap values of complexes were found to be in good agreement with calculated HOMO-LUMO energy gap (ΔE) and lie in semiconducting range. The cyclic voltammetric studies of synthesized compounds were carried out in order to examine their electrochemical behavior. In addition theoretical calculations by means of DFT at B3LYP level were incorporated to support the experimental findings.

  14. Synthesis, magnetism and spectral studies of six defective dicubane tetranuclear {M4O6} (M = Ni(II), Co(II), Zn(II)) and three trinuclear Cd(II) complexes with polydentate Schiff base ligands.

    PubMed

    Jiang, Lin; Zhang, Dong-Yan; Suo, Jing-Jing; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping

    2016-06-21

    A series of Ni(II), Co(II), Zn(II) and Cd(II) complexes with polytopic Schiff base ligands have been synthesized. The single-crystal X-ray crystallography results show that tetranuclear complexes have common face-shared defective dicubane cores, whereas trinuclear Cd(II) complexes are almost linear entities. Synthesis methods (solvent evaporation and hydrothermal synthesis), reaction conditions (pH, solvents and dosage) and coligands (azide, methanol, chloride and acetate) play vital roles in determining the final structure of the complexes and therefore their magnetic properties. In complexes , the terminal and central M(2+) ions are connected through mixed bridges, μ-phenoxido/μ1,1,1-X and μ-Oalphatic/μ1,1,1-X, while central two M(2+) ions are linked by double bridges, μ1,1,1-X (X = azido and methoxido groups for and respectively). For complex , two central Ni(II) ions are connected through two μ1,1,1-N3(-) which is relatively less reported. For complexes , there are two kinds of Cd(II), the centre Cd(II) ions are eight-coordinated with triangle dodecahedral geometries, while the two side Cd(II) ions are six-coordinated with trigonal prism geometries using chlorides or acetates as terminal ligands. Magnetic susceptibility measurements (χM) for compounds have been performed, and they reveal predominant ferromagnetic exchange interactions in Co(II) and Ni(II) tetramers. The photoluminescence studies show that the Zn(II) complex and three Cd(II) complexes have strong fluorescence, and the lifetimes are measured to be in the 10(2) nanosecond timescale. PMID:27230103

  15. sup 31 P and sup 1 H NMR studies of the structure of enzyme-bound substrate complexes of lobster muscle arginine kinase: Relaxation measurements with Mn(II) and Co(II)

    SciTech Connect

    Jarori, G.K.; Ray, B.D.; Rao, B.D.N. )

    1989-11-28

    The paramagnetic effects of Mn(II) and Co(II) on the spin-lattice relaxation rates of {sup 31}P nuclei of ATP and ADP and of Mn(II) on the spin-lattice relaxation rate of the {delta} protons of arginine bound to arginine kinase from lobster tail muscle have been measured. Temperature variation of {sup 31}P relaxation rates in E-MnADP and E-MnATP yields activation energies ({Delta}E) in the range 6-10 kcal/mol. Thus, the {sup 31}P relaxation rates in these complexes are exchange limited and cannot provide structural information. However, the relaxation rates in E-CoADP and E-CoATP exhibit frequency dependence and {Delta}E values in the range 1-2 kcal/mol; i.e., these rates depend upon {sup 31}P-Co(II) distances. These distances were calculated to be in the range 3.2-4.5 {angstrom}, appropriate for direct coordination between Co(II) and the phosphoryl groups. The paramagnetic effect of Mn(II) on the {sup 1}H spin-lattice relaxation rate of the {delta} protons of arginine in the E-MnADP-Arg complex was also measured at three frequencies. From the frequency dependence of the relaxation rate an effective {tau}{sub C} of 0.6 ns has also been calculated, which is most likely to be the electron spin relaxation rate ({tau}{sub S1}) for Mn(II) in this complex. The distance estimated on the basis of the reciprocal sixth root of the average relaxation rate of the {delta} protons was 10.9 {plus minus} 0.3 {angstrom}.

  16. Synthesis of novel binary and ternary complexes derived from 1-(2-hydroxy benzoyl)-4-phenylthiosemicarbazide (L(1)) and 2,2'-dipyridyl (L(2)) with Co(II), Cu(II) and Zn(II) salts.

    PubMed

    Azhari, Shaker J; Mlahi, Mosaad R; Al-Asmy, Ahmed A; Mostafa, Mohsen M

    2015-02-01

    The complexes derived the reactions of 1-(2-hydroxybenzoyl)-4-phenylthiosemicarbazide (L(1)) with MX2 (M = Co(II), Cu(II) and Zn(II) ions; X = Cl(-) in case of Co(II) and Cu(II) ions, Cl(-) and Ac(-) in case of Zn(II)) in EtOH, were synthesized and characterized. The results suggested that the complexes have the general formulae, [Cu(L(1)-2H)(EtOH)(H2O)2]⋅H2O, [Co(L(1)-2H)(EtOH)(H2O)]⋅2H2O and [Zn(L(1)-2H)(EtOH)]. Also, the ternary complexes, derived from the reactions 2,2'-dipyridyl (L(2)) with the metals salts followed by adding a solution of the L(1) were synthesized and having the general formulae, [Cu2(L(2))(L(1)-2H)(H2O)(OH)2]⋅1/2H2O, [Co(L(2))(L(1)-2H)]⋅1.5EtOH⋅3H2O and [Zn(L(2))(L(1)-2H)]⋅EtOH. The binary and ternary complexes were characterized by elemental analyses, molar conductivities, spectral (IR, UV-Vis, (1)H-NMR and mass), thermal and magnetic measurements. The existence of OH group in the ternary complexes was confirmed by IR spectra. The amounts of solvent were determined from the results of TGA. The biological activity for the ligand and two complexes were tested against DNA. PMID:25440581

  17. Antibacterial and anticancer activity of a series of novel peptides incorporating cyclic tetra-substituted C(α) amino acids.

    PubMed

    Hicks, Rickey P

    2016-09-15

    Eleven antimicrobial peptides (AMP) based on the incorporation of cyclic tetra substituted C(α) amino acids, as well as other unnatural amino acids were designed, synthesized and screened for in vitro activity against 18 strains of bacteria as well as 12 cancer cell lines. The AMPs discussed herein are derived from the following peptide sequence: Ac-GF(X)G(X)B(X)G(X)F(X)G(X)GB(X)BBBB-amide, X=any one of the following residues, A5c, A6c, Tic or Oic and B=any one of the following residues, Arg, Lys, Orn, Dpr or Dab. A diversity of in vitro inhibitory activity was observed for these AMPs. Several analogs exhibited single digit μM activity against drug resistant bacteria including; multiple drug resistant Mycobacterium tuberculosis, extremely drug resistant Mycobacterium tuberculosis and MRSA. The physicochemical properties of the basic amino acid residues incorporated into these AMPs seem to play a major role in defining antibacterial activity. Overall hydrophobicity seems to play a limited role in defining antibacterial activity. The ESKAPE pathogens were used to compare the activity of these AMPs to another family of synthetic AMPs incorporating the unnatural amino acids Tic and Oic. In most cases similarly substituted members of both families exhibited similar inhibitory activity against the ESKAPE pathogens. In specific cases differences in activity as high as 15 fold were observed between analogs. In addition four of these AMPs exhibited promising IC50 (<7.5μM) values against 12 different and diverse cancer cell lines. Five other AMPs exhibited promising IC50 (<7.5μM) values against selected cancer cell lines. PMID:27387357

  18. Interstitial photodynamic therapy of canine prostate with meso-tetra-(m-hydroxyphenyl) chlorin and 5-aminolevulinic acid: a preliminary study

    NASA Astrophysics Data System (ADS)

    Chang, Shi-Chung; Buonaccorsi, Giovanni A.; MacRobert, Alexander J.; Bown, Stephen G.

    1996-01-01

    Photodynamic therapy (PDT) is proved to have potential for managing various malignancies. We investigated tissue biodistribution and photodynamic effects on a canine model in vivo using second generation photosensitizers, meso-tetra(m-hydroxyphenyl)chlorin (mTHPC) and 5-aminolaevulinic acid (ALA) to evaluate the feasibility and possible future application of PDT on the prostate. Using fluorescence microscopy, the optimal sensitization time of the prostate was between 24 - 72 hours with mTHPC and, 3 hours with ALA. After optimum time of sensitization, prostates of mature beagle were treated with laser at various sites by placing fiber interstitially under the guidance of transrectal ultrasound. The light dose for each treatment site was 100 J (100 mW for 1,000 seconds at the wavelength of 650 and 630 nm, respectively). With mTHPC, single laser fiber was able to induce organ confined PDT lesion as large as 20 by 18 by 18 mm in size. However, the PDT lesion with ALA was negligible 3 days after treatment. Physical distress manifested as urinary retention, poor appetite and body weigh loss, was more prominent with increasing number of treatment sites as a result of extensive prostatic swelling and urethral damages. However, these problems usually alleviated spontaneously 7 to 10 days after PDT. The characteristic histological changes were hemorrhagic necrosis and glandular destruction with preservation of interlobular collagen fibers. Urethral damage seen at the early stage healed by regeneration of urothelium in 4 weeks. We conclude that interstitial PDT with mTHPC is technically possible to produce extensive glandular necrosis in the normal prostate which heals safely and does not change the prostatic architecture. ALA, although it seems promising for bladder tumors, is much less effective than mTHPC on the prostate. With mTHPC, it might have the potential for treating prostate cancers localized in the periphery of the gland.

  19. Efficacy of ethylene-diamine-tetra-acetic acid associated with chlorhexidine on intracanal medication removal: a scanning electron microscopy study.

    PubMed

    Abi-Rached, Giselle P C; Herrera, Daniel R; Zaia, Alexandre A; Ferraz, Caio C R; Almeida, Jose F A; Gomes, Brenda P F A

    2014-09-01

    The aim of this study was to evaluate the effectiveness of 17% ethylene-diamine-tetra-acetic acid (EDTA) used alone or associated with 2% chlorhexidine gel (CHX) on intracanal medications (ICM) removal. Sixty single-rooted human teeth with fully formed apex were selected. The cervical and middle thirds of each canal were prepared with Gates Glidden drills and rotary files. The apical third was shaped with hand files. The specimens were randomly divided into two groups depending on the ICM used after instrumentation: calcium hydroxide Ca(OH)(2) +CHX or Ca(OH)(2) +sterile saline (SS). After seven days, each group was divided into subgroups according to the protocol used for ICM removal: instrumentation and irrigation either with EDTA, CHX+EDTA, or SS (control groups). All specimens were sectioned and processed for observation of the apical thirds by using scanning electron microscopy. Two calibrated evaluators attributed scores to each specimen. The differences between the protocols for ICM removal were analyzed with Kruskal-Wallis and Mann-Whitney U tests. Friedman and Wilcoxon signed rank tests were used for comparison between the score of debris obtained in each root canal third. Remains of Ca(OH)(2) were found in all specimens independently of the protocol and ICM used (P > 0.05). Seventeen percent EDTA showed the best results in removing ICM when used alone (P < 0.05), particularly in those associated with CHX. It was concluded that the chelating agent 17% EDTA significantly improved the removal of ICM when used alone. Furthermore, the type of the vehicle associated with Ca(OH)(2) also plays a role in the ICM removal. PMID:24941937

  20. Bioactive surface modifications on inner walls of poly-tetra-fluoro-ethylene tubes using dielectric barrier discharge

    NASA Astrophysics Data System (ADS)

    Cho, Yong Ki; Park, Daewon; Kim, Hoonbae; Lee, Hyerim; Park, Heonyong; Kim, Hong Ja; Jung, Donggeun

    2014-03-01

    Bioactive surface modification can be used in a variety of medical polymeric materials in the fields of biochips and biosensors, artificial membranes, and vascular grafts. In this study, the surface modification of the inner walls of poly-tetra-fluoro-ethylene (PTFE) tubing was carried out to improve vascular grafts, which are made of biocompatible material for the human body in the medical field. Focus was centered on the cell attachment of the inner wall of the PTFE by sequential processes of hydrogen plasma treatment, hydrocarbon deposition, and reactive plasma treatment on the PFTE surface using micro plasma discharge. Micro plasma was generated by a medium-frequency alternating current high-voltage generator. The preliminary modification of PTFE was conducted by a plasma of hydrogen and argon gases. The hydrocarbon thin film was deposited on modified PTFE with a mixture of acetylene and argon gases. The reactive plasma treatment using oxygen plasma was done to give biocompatible functionality to the inner wall surface. The hydrophobic surface of bare PTFE is made hydrophilic by the reactive plasma treatment due to the formation of carbonyl groups on the surface. The reactive treatment could lead to improved attachment of smooth muscle cells (SMCs) on the modified PTFE tubing. Fourier transform infrared absorption spectroscopy, X-ray photoelectron spectroscopy, scanning electron microscopy, and water contact angle measurement were used for the analysis of the surface modification. The SMC-attached PTFE tube developed will be applicable to in vitro human vasculature-mimetic model systems, and to medical vascular grafts.