Showing papers in "Canadian Journal of Chemistry in 2010"
TL;DR: In this article, three-component organic thermochromic materials, consisting of a leuco dye, a weak acid acting as the colour developer, and a low-melting organic solvent, can change their colour in response to tem...
Abstract: Three-component organic thermochromic materials, consisting of a leuco dye, a weak acid acting as the colour developer, and a low-melting organic solvent, can change their colour in response to tem...
47 citations
TL;DR: A lowband-gap chromophore with fluorene as a donor, benzobisthiadiazole (BBTD) as an acceptor, and pyrrole as a π-spacer was successfully designed and synthesized in this paper.
Abstract: A novel low-band-gap chromophore (5, 0.86 eV) having fluorene as a donor, benzobisthiadiazole (BBTD) as an acceptor, and pyrrole as a π-spacer was successfully designed and synthesized, to probe th...
44 citations
TL;DR: Four amine-functionalized hydrogels were screened in vitro for adult murine NPC viability, migration, and differentiation and the greatest cell viability was found on chitosa.
Abstract: Neural precursor cells (NPCs or stem and progenitor cells) are promising in transplantation strategies to treat an injury to the central nervous system, such as a spinal cord injury (SCI), because ...
42 citations
TL;DR: In this article, the authors used 129 nucleobase-amino acid CCSD(T)/CBS stacking and T-shaped interaction energies as reference data to test the ability of various density functionals with double-zeta qualit...
Abstract: The present work uses 129 nucleobase – amino acid CCSD(T)/CBS stacking and T-shaped interaction energies as reference data to test the ability of various density functionals with double-zeta qualit...
42 citations
TL;DR: In this paper, the authors distinguish four pathways for the electrochemical oxidation of acetaminophen as a model organic substrate: direct electron transfer from the substrate to the anode, indirect electron transfer to anode and electron transfer between the substrate and anode.
Abstract: This work was undertaken to distinguish four pathways for the electrochemical oxidation of acetaminophen as a model organic substrate: (i) direct electron transfer from the substrate to the anode, ...
38 citations
TL;DR: Microgels/nanogels (micro/ nanogels) are promising drug-delivery systems (DDS) because of their unique properties, including tunable chemical and physical structures, good mechanical properties, and good chemical and mechanical properties.
Abstract: Microgels/nanogels (micro/nanogels) are promising drug-delivery systems (DDS) because of their unique properties, including tunable chemical and physical structures, good mechanical properties, hig...
34 citations
TL;DR: Two trisnortriterpenoids possessing a γ-lactone ring linked to the D-ring of a 3,4secodammarane skeleton in a 20-R configuration were described in this article.
Abstract: Two new trisnortriterpenoids possessing a γ-lactone ring linked to the D-ring of a 3,4-secodammarane skeleton in a 20R configuration, named isoeichlerialactone (1) and methyl isoeichlerialactone (2...
32 citations
TL;DR: In this paper, a precursor to the chelating Lewis acid 2,2′-diborabiphenyl with 2,6-bisalkynyl-substituted pyridazines, leads to elimination of 2 equiv.
Abstract: Treatment of a precursor to the chelating Lewis acid 2,2′-diborabiphenyl with 2,6-bisalkynyl-substituted pyridazines, leads to elimination of 2 equiv. of ClSiMe3; subsequent treatment of the mixtur...
30 citations
TL;DR: In this paper, the electrochemical reduction of sunset yellow at a multiwalled carbon nanotube (MWCNT)-modified glassy carbon electrode was investigated using cyclic voltammetry.
Abstract: The electrochemical reduction of sunset yellow at a multiwalled carbon nanotube (MWCNT)-modified glassy carbon electrode is investigated using cyclic voltammetry. A simple, sensitive, and inexpensi...
29 citations
TL;DR: In this article, the redox reactions of reactive oxygen species (ROS), superoxide and hydrogen peroxide, along with oxygen in aqueous solutions were investigated using a conventional electroc...
Abstract: The redox reactions of two main components of reactive oxygen species (ROS), superoxide and hydrogen peroxide, along with oxygen in aqueous solutions were investigated using a conventional electroc...
29 citations
TL;DR: The Magneli phase Ti4O7 (Ebonex®) was used as both anode and cathode in the electrochemical oxidation of sulfide ion in alkaline solution in the absence and presence of chloride and naphthenate ion.
Abstract: The Magneli phase Ti4O7 (Ebonex®) was used as both anode and cathode in the electrochemical oxidation of sulfide ion in alkaline solution in the absence and presence of chloride and naphthenate ion...
TL;DR: In this article, a non-empirical density-functional theory for thermochemistry and van der Waals complexes was proposed, which is based on the generalized gradient approximation (GGAs) of Perdew and Wang.
Abstract: In previous work, Kannemann and Becke [J. Chem. Theory Comput. 5, 719 (2009) and J. Chem. Theory Comput. 6, 1081 (2010)] have demonstrated that the generalized gradient approximations (GGAs) of Perdew and Wang for exchange [Phys. Rev. B 33, 8800 (1986)] and Perdew, Burke, and Ernzerhof for correlation [Phys. Rev. Lett. 77, 3865 (1996)], plus the dispersion density functional of Becke and Johnson [J. Chem. Phys. 127, 154108 (2007)], comprise a nonempirical density-functional theory of high accuracy for thermochemistry and van der Waals complexes. The theory is nonempirical except for two universal cutoff parameters in the dispersion energy. Our calculations so far have been grid-based and have employed the local density approximation (LDA) for the orbitals. In this work, we employ orbitals from self-consistent GGA calculations using Gaussian basis sets. The results, on a benchmark set of 65 van der Waals complexes, are similar to our grid-based post-LDA results. This work sets the stage for van der Waals f...
TL;DR: In this article, a reduction of benzaldehyde was successfully achieved by catalytic transfer hydrogenation in glycerol using several ruthenium based complexes and bases, which was employed as a green solvent and hydrogen source.
Abstract: Benzaldehyde was successfully reduced by catalytic transfer hydrogenation in glycerol using several ruthenium based complexes and bases. Glycerol was employed as a green solvent and hydrogen source...
TL;DR: In this paper, a simple model for predicting the principal site for nucleophilic substitution in aromatic perfluorocarbons is generalized to include both ring-nitrogen and ring-acid sites.
Abstract: Our recent simple model for predicting the principal site for nucleophilic substitution in aromatic perfluorocarbons (J. Fluorine Chem. 2005, 126, 727) is generalized to include both ring-nitrogen ...
TL;DR: Amphiphilic block copolymers poly(N-vinylcarbazole)-b-poly(Nvinylpyrrolidone) (PNVK-b-PNVP) were prepared by xanthate-mediated reversible addition-fragmentation chain transfer (RAFT) polymerizatio...
Abstract: Amphiphilic block copolymers poly(N-vinylcarbazole)-b-poly(N-vinylpyrrolidone) (PNVK-b-PNVP) were prepared by xanthate-mediated reversible addition-fragmentation chain transfer (RAFT) polymerizatio...
TL;DR: The estimated binding parameters indicated that BDMC has higher affinity than DABC to bind HSA, suggesting the essential role of the phenolic OH groups of BDMC, which are acetylated in DABC.
Abstract: The interactions of bisdemethoxycurcumin (BDMC) as a bioactive constituent of turmeric and diacetylbisdemethoxycurcumin (DABC) as a novel synthetic derivative of curcumin with human serum albumin (...
TL;DR: In this article, the use of γ-Al2O3/CH3SO3H (AMA) as a heterogeneous catalyst for the Mannich reaction was described for the first time, and it was found that this catalyst could be completely recovered and reused without loss of its catalytic activities.
Abstract: Mannich reaction of ketones, aromatic aldehydes, and aromatic amines catalyzed efficiently by γ-Al2O3/MeSO3H (alumina/methanesulfonic acid: AMA) as a heterogeneous catalyst, which were carried out in EtOH at ambient temperature to afford the corresponding β-amino ketones in good yields and high stereoselectivities in favor of the anti isomer, was described for the first time. It was found that this catalyst could be completely recovered and reused without loss of its catalytic activities and is thus environmentally conscious. Furthermore, the use of γ-Al2O3/CH3SO3H (AMA) catalyst is feasible because of its easy preparation, easy handling, stability, easy recovery, reusability, good activity, stereoselectivity, and eco-friendliness. The use of this method provides a novel and improved modification of the three-component Mannich reaction in terms of mild reaction conditions and clean reaction profiles, using a very small quantity of catalyst and a simple workup procedure.
TL;DR: A series of polystyrenes randomly labeled with 1-pyrenebutanol were prepared by copolymerizing styrene and 1-polyrenebutylacrylate yielding the CoBuE-PS series.
Abstract: A series of polystyrenes randomly labeled with 1-pyrenebutanol were prepared by copolymerizing styrene and 1-pyrenebutylacrylate yielding the CoBuE–PS series. Solutions of CoBuE–PS were prepared in...
TL;DR: A sulfonic acid functionalized ionic liquid was used as a Bronsted acid catalyst for the efficient synthesis of indole derivatives in good-to-high yields at room temperature under solvent-free condi... as discussed by the authors.
Abstract: A sulfonic-acid-functionalized ionic liquid is used as a Bronsted acid catalyst for the efficient synthesis of indole derivatives in good-to-high yields at room temperature under solvent-free condi...
TL;DR: In this paper, the effect of multiwalled carbon nanotubes (MWNT) on film formation behaviour and electrical conductivity properties of polystrene (PS) latex film was investigated by using the photo-graph.
Abstract: In this study, the effect of multiwalled carbon nanotubes (MWNT) on film formation behaviour and electrical conductivity properties of polystrene (PS) latex film was investigated by using the photo...
TL;DR: A series of π-conjugated donor (D) and acceptor (A) dyad comonomers using Suzuki coupling protocols were presented in this paper, consisting of thiophene/bithiophene as donors and pyridine/pyridine as acceptors.
Abstract: A series of new π-conjugated donor (D) and acceptor (A) dyad comonomers were prepared using Suzuki coupling protocols. The D–A comonomers consisting of thiophene/bithiophene as donors and pyridine/...
TL;DR: In this article, a quantitative conversion of the tertiary stannane (n-Bu)3SnH (2) into 6 SnH (4) was achieved by heating the neat hydride material under low pressure or under closed inert atmosphere conditi...
Abstract: The quantitative conversion of the tertiary stannane (n-Bu)3SnH (2) into (n-Bu)6Sn2 (4) was achieved by heating the neat hydride material under low pressure or under closed inert atmosphere conditi...
TL;DR: In this article, Monte Carlo simulations were used to calculate the primary radical yields g(eaq−), g(•OH), the sum [g(BE−)+ g(OH) + g(H•)/g(EAq−) in the low linear energy transfer (LET) rad...
Abstract: Monte Carlo simulations are used to calculate the primary radical yields g(eaq−), g(•OH), the sum [g(eaq−) + g(•OH) + g(H•)], and the ratio g(H•)/g(eaq−) in the low linear energy transfer (LET) rad...
TL;DR: In this paper, the performance of density functional theory (DFT) functionals for the description of the metal-metal bond distance and the bond dissociation energy as well as the singlet-triplet gap was evaluated with respect to ab initio data at the CASPT2 level.
Abstract: Homo- and hetero-dimetallic (d–d)8 analogues of the formally quadruply bonded [Re2Cl8]2– system with the general formula [MM′Cl8]x (M, M′ = Tc, Re, Ru, Os, Rh, Ir and x = –2, –1, 0, +1, +2) have been calculated with the density functional theory (DFT) functionals SVWN, BLYP, BP86, PBE, OLYP, OPBE, HCTH, B3LYP, O3LYP, X3LYP, BH&HLYP, TPSS, VSXC, TPPSh, and ab initio methods (CASPT2, CCSD(T)) using basis sets of triple-ζ quality. The performance of the functionals for the description of the metal–metal bond distance and the bond dissociation energy as well as the singlet–triplet gap was evaluated with respect to ab initio data at the CASPT2 level. Generally, the generalized gradient approximation (GGA) functionals, BLYP, BP86, and PBE, show good performance in the description of the metal–metal bond distance and for the dissociation energy. Hybrid functionals are not to be used for compounds of the type discussed here as they lead to increasingly too short and too weak bonds with the amount of exact exchang...
TL;DR: Silica-bonded S-sulfonic acid (SBSSA) was prepared by the reaction of 3-mercaptopropylsilica (MPS) and chloros sulfonic acid in tert-butylmethyl ether, and used as a catalyst for the silylation of hy...
Abstract: Silica-bonded S-sulfonic acid (SBSSA) was prepared by the reaction of 3-mercaptopropylsilica (MPS) and chlorosulfonic acid in tert-butylmethyl ether, and used as a catalyst for the silylation of hy...
TL;DR: In this article, the first solid-state 27Al NMR study of three aluminum phthalocyanine dyes (AlPcCl, AlPcCCl, and aluminum-1,8,15,22-tetrakis(phenylthio)-29H,31H-phthalocyanines ch...
Abstract: We report the first solid-state 27Al NMR study of three aluminum phthalocyanine dyes: aluminum phthalocyanine chloride, AlPcCl (1); aluminum-1,8,15,22-tetrakis(phenylthio)-29H,31H-phthalocyanine ch...
TL;DR: From the methanol extract of the Cardamine diphylla rhizome, methylethyl- (1), 2-methylbutyl-(2), 3-methylpentyl-(4), 3indolylmethyl-(5), 1-methoxy-3-indoly lmethyl-methyl- (6), 4-mETHoxy- 3-indolmeth...
Abstract: From the methanol extract of the Cardamine diphylla rhizome, methylethyl- (1), 2-methylbutyl- (2), 3-methylpentyl- (4), 3-indolylmethyl- (5), 1-methoxy-3-indolylmethyl- (6), 4-methoxy-3-indolylmeth...
TL;DR: In this article, the first series of alkali dipyrrinato complexes was reported, encompassing lithium, sodium, and potassium salts of meso-unsubstituted and mesoaryl-substitized derivatives.
Abstract: The first series of alkali dipyrrinato complexes is reported, encompassing lithium, sodium, and potassium salts of meso-unsubstituted and meso-aryl-substituted derivatives. By varying the substitue...
TL;DR: A simple, facile and efficient procedure for the synthesis of 2-arylthizolines and 2-arylimidazolines has been developed by the simple condensation of nitriles with 2-aminoethanethiol or ethylened... as discussed by the authors.
Abstract: A simple, facile, and efficient procedure for the synthesis of 2-arylthizolines and 2-arylimidazolines has been developed by the simple condensation of nitriles with 2-aminoethanethiol or ethylened...
TL;DR: In this article, 2-hydroxyethylammonium formate was used as a task-specific ionic liquid (TSIL) for the Knoevenagel condensation of carbonyl compounds with rhodanine to afford arylalkylidene rhodane under solvent-fr...
Abstract: 2-Hydroxyethylammonium formate acts as a task-specific ionic liquid (TSIL) for the Knoevenagel condensation of carbonyl compounds with rhodanine to afford arylalkylidene rhodanines under solvent-fr...