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CHEMISTRY (610 journals)                  1 2 3 4 | Last

Showing 1 - 200 of 735 Journals sorted alphabetically
2D Materials     Hybrid Journal   (Followers: 13)
Accreditation and Quality Assurance: Journal for Quality, Comparability and Reliability in Chemical Measurement     Hybrid Journal   (Followers: 26)
ACS Catalysis     Full-text available via subscription   (Followers: 42)
ACS Chemical Neuroscience     Full-text available via subscription   (Followers: 20)
ACS Combinatorial Science     Full-text available via subscription   (Followers: 20)
ACS Macro Letters     Full-text available via subscription   (Followers: 25)
ACS Medicinal Chemistry Letters     Full-text available via subscription   (Followers: 40)
ACS Nano     Full-text available via subscription   (Followers: 266)
ACS Photonics     Full-text available via subscription   (Followers: 13)
ACS Synthetic Biology     Full-text available via subscription   (Followers: 23)
Acta Chemica Iasi     Open Access   (Followers: 2)
Acta Chimica Sinica     Full-text available via subscription   (Followers: 1)
Acta Chimica Slovaca     Open Access   (Followers: 1)
Acta Chimica Slovenica     Open Access  
Acta Chromatographica     Full-text available via subscription   (Followers: 8)
Acta Facultatis Medicae Naissensis     Open Access  
Acta Metallurgica Sinica (English Letters)     Hybrid Journal   (Followers: 6)
Acta Scientifica Naturalis     Open Access   (Followers: 2)
adhäsion KLEBEN & DICHTEN     Hybrid Journal   (Followers: 5)
Adhesion Adhesives & Sealants     Hybrid Journal   (Followers: 8)
Adsorption Science & Technology     Full-text available via subscription   (Followers: 5)
Advanced Functional Materials     Hybrid Journal   (Followers: 54)
Advanced Science Focus     Free   (Followers: 5)
Advances in Chemical Engineering and Science     Open Access   (Followers: 64)
Advances in Chemical Science     Open Access   (Followers: 15)
Advances in Chemistry     Open Access   (Followers: 20)
Advances in Colloid and Interface Science     Full-text available via subscription   (Followers: 19)
Advances in Drug Research     Full-text available via subscription   (Followers: 21)
Advances in Enzyme Research     Open Access   (Followers: 9)
Advances in Fluorine Science     Full-text available via subscription   (Followers: 7)
Advances in Fuel Cells     Full-text available via subscription   (Followers: 15)
Advances in Heterocyclic Chemistry     Full-text available via subscription   (Followers: 9)
Advances in Materials Physics and Chemistry     Open Access   (Followers: 25)
Advances in Nanoparticles     Open Access   (Followers: 15)
Advances in Organometallic Chemistry     Full-text available via subscription   (Followers: 15)
Advances in Polymer Science     Hybrid Journal   (Followers: 43)
Advances in Protein Chemistry     Full-text available via subscription   (Followers: 17)
Advances in Protein Chemistry and Structural Biology     Full-text available via subscription   (Followers: 18)
Advances in Quantum Chemistry     Full-text available via subscription   (Followers: 6)
Advances in Science and Technology     Full-text available via subscription   (Followers: 12)
African Journal of Bacteriology Research     Open Access  
African Journal of Chemical Education     Open Access   (Followers: 3)
African Journal of Pure and Applied Chemistry     Open Access   (Followers: 7)
Agrokémia és Talajtan     Full-text available via subscription   (Followers: 2)
Al-Kimia : Jurnal Penelitian Sains Kimia     Open Access  
Alkaloids: Chemical and Biological Perspectives     Full-text available via subscription   (Followers: 2)
AMB Express     Open Access   (Followers: 1)
Ambix     Hybrid Journal   (Followers: 3)
American Journal of Biochemistry and Biotechnology     Open Access   (Followers: 61)
American Journal of Biochemistry and Molecular Biology     Open Access   (Followers: 15)
American Journal of Chemistry     Open Access   (Followers: 29)
American Journal of Plant Physiology     Open Access   (Followers: 11)
American Mineralogist     Hybrid Journal   (Followers: 15)
Analyst     Full-text available via subscription   (Followers: 38)
Angewandte Chemie     Hybrid Journal   (Followers: 166)
Angewandte Chemie International Edition     Hybrid Journal   (Followers: 237)
Annales UMCS, Chemia     Open Access  
Annals of Clinical Chemistry and Laboratory Medicine     Open Access   (Followers: 5)
Annual Reports in Computational Chemistry     Full-text available via subscription   (Followers: 3)
Annual Reports Section A (Inorganic Chemistry)     Full-text available via subscription   (Followers: 4)
Annual Reports Section B (Organic Chemistry)     Full-text available via subscription   (Followers: 9)
Annual Review of Chemical and Biomolecular Engineering     Full-text available via subscription   (Followers: 12)
Annual Review of Food Science and Technology     Full-text available via subscription   (Followers: 13)
Anti-Infective Agents     Hybrid Journal   (Followers: 3)
Antiviral Chemistry and Chemotherapy     Hybrid Journal   (Followers: 1)
Applied Organometallic Chemistry     Hybrid Journal   (Followers: 8)
Applied Spectroscopy     Full-text available via subscription   (Followers: 22)
Applied Surface Science     Hybrid Journal   (Followers: 31)
Arabian Journal of Chemistry     Open Access   (Followers: 5)
ARKIVOC     Open Access   (Followers: 1)
Asian Journal of Biochemistry     Open Access   (Followers: 1)
Atomization and Sprays     Full-text available via subscription   (Followers: 4)
Australian Journal of Chemistry     Hybrid Journal   (Followers: 7)
Autophagy     Hybrid Journal   (Followers: 2)
Avances en Quimica     Open Access  
Biochemical Pharmacology     Hybrid Journal   (Followers: 10)
Biochemistry     Full-text available via subscription   (Followers: 336)
Biochemistry Insights     Open Access   (Followers: 6)
Biochemistry Research International     Open Access   (Followers: 6)
BioChip Journal     Hybrid Journal  
Bioinorganic Chemistry and Applications     Open Access   (Followers: 9)
Bioinspired Materials     Open Access   (Followers: 5)
Biointerface Research in Applied Chemistry     Open Access   (Followers: 2)
Biointerphases     Open Access   (Followers: 1)
Biology, Medicine, & Natural Product Chemistry     Open Access   (Followers: 1)
Biomacromolecules     Full-text available via subscription   (Followers: 20)
Biomass Conversion and Biorefinery     Partially Free   (Followers: 10)
Biomedical Chromatography     Hybrid Journal   (Followers: 7)
Biomolecular NMR Assignments     Hybrid Journal   (Followers: 3)
BioNanoScience     Partially Free   (Followers: 5)
Bioorganic & Medicinal Chemistry     Hybrid Journal   (Followers: 121)
Bioorganic & Medicinal Chemistry Letters     Hybrid Journal   (Followers: 84)
Bioorganic Chemistry     Hybrid Journal   (Followers: 10)
Biopolymers     Hybrid Journal   (Followers: 18)
Biosensors     Open Access   (Followers: 2)
Biotechnic and Histochemistry     Hybrid Journal   (Followers: 2)
Bitácora Digital     Open Access  
Boletin de la Sociedad Chilena de Quimica     Open Access  
Bulletin of the Chemical Society of Ethiopia     Open Access   (Followers: 2)
Bulletin of the Chemical Society of Japan     Full-text available via subscription   (Followers: 24)
Bulletin of the Korean Chemical Society     Hybrid Journal   (Followers: 1)
C - Journal of Carbon Research     Open Access   (Followers: 3)
Cakra Kimia (Indonesian E-Journal of Applied Chemistry)     Open Access  
Canadian Association of Radiologists Journal     Full-text available via subscription   (Followers: 2)
Canadian Journal of Chemistry     Hybrid Journal   (Followers: 10)
Canadian Mineralogist     Full-text available via subscription   (Followers: 6)
Carbohydrate Research     Hybrid Journal   (Followers: 26)
Carbon     Hybrid Journal   (Followers: 71)
Catalysis for Sustainable Energy     Open Access   (Followers: 7)
Catalysis Reviews: Science and Engineering     Hybrid Journal   (Followers: 7)
Catalysis Science and Technology     Free   (Followers: 8)
Catalysis Surveys from Asia     Hybrid Journal   (Followers: 3)
Catalysts     Open Access   (Followers: 9)
Cellulose     Hybrid Journal   (Followers: 7)
Cereal Chemistry     Full-text available via subscription   (Followers: 4)
ChemBioEng Reviews     Full-text available via subscription   (Followers: 1)
ChemCatChem     Hybrid Journal   (Followers: 8)
Chemical and Engineering News     Free   (Followers: 17)
Chemical Bulletin of Kazakh National University     Open Access  
Chemical Communications     Full-text available via subscription   (Followers: 73)
Chemical Engineering Research and Design     Hybrid Journal   (Followers: 26)
Chemical Research in Chinese Universities     Hybrid Journal   (Followers: 3)
Chemical Research in Toxicology     Full-text available via subscription   (Followers: 22)
Chemical Reviews     Full-text available via subscription   (Followers: 182)
Chemical Science     Open Access   (Followers: 23)
Chemical Technology     Open Access   (Followers: 21)
Chemical Vapor Deposition     Hybrid Journal   (Followers: 5)
Chemical Week     Full-text available via subscription   (Followers: 7)
Chemie in Unserer Zeit     Hybrid Journal   (Followers: 56)
Chemie-Ingenieur-Technik (Cit)     Hybrid Journal   (Followers: 24)
ChemInform     Hybrid Journal   (Followers: 8)
Chemistry & Biodiversity     Hybrid Journal   (Followers: 7)
Chemistry & Biology     Full-text available via subscription   (Followers: 32)
Chemistry & Industry     Hybrid Journal   (Followers: 6)
Chemistry - A European Journal     Hybrid Journal   (Followers: 153)
Chemistry - An Asian Journal     Hybrid Journal   (Followers: 16)
Chemistry and Materials Research     Open Access   (Followers: 20)
Chemistry Central Journal     Open Access   (Followers: 4)
Chemistry Education Research and Practice     Free   (Followers: 5)
Chemistry in Education     Open Access   (Followers: 9)
Chemistry International     Hybrid Journal   (Followers: 2)
Chemistry Letters     Full-text available via subscription   (Followers: 44)
Chemistry of Materials     Full-text available via subscription   (Followers: 247)
Chemistry of Natural Compounds     Hybrid Journal   (Followers: 9)
Chemistry World     Full-text available via subscription   (Followers: 19)
Chemistry-Didactics-Ecology-Metrology     Open Access   (Followers: 1)
ChemistryOpen     Open Access   (Followers: 1)
Chemkon - Chemie Konkret, Forum Fuer Unterricht Und Didaktik     Hybrid Journal  
Chemoecology     Hybrid Journal   (Followers: 4)
Chemometrics and Intelligent Laboratory Systems     Hybrid Journal   (Followers: 14)
Chemosensors     Open Access  
ChemPhysChem     Hybrid Journal   (Followers: 11)
ChemPlusChem     Hybrid Journal   (Followers: 2)
ChemTexts     Hybrid Journal  
CHIMIA International Journal for Chemistry     Full-text available via subscription   (Followers: 2)
Chinese Journal of Chemistry     Hybrid Journal   (Followers: 6)
Chinese Journal of Polymer Science     Hybrid Journal   (Followers: 11)
Chromatographia     Hybrid Journal   (Followers: 24)
Chromatography     Open Access   (Followers: 2)
Chromatography Research International     Open Access   (Followers: 6)
Clay Minerals     Full-text available via subscription   (Followers: 10)
Cogent Chemistry     Open Access  
Colloid and Interface Science Communications     Open Access  
Colloid and Polymer Science     Hybrid Journal   (Followers: 11)
Colloids and Interfaces     Open Access  
Colloids and Surfaces B: Biointerfaces     Hybrid Journal   (Followers: 6)
Combinatorial Chemistry & High Throughput Screening     Hybrid Journal   (Followers: 5)
Combustion Science and Technology     Hybrid Journal   (Followers: 22)
Comments on Inorganic Chemistry: A Journal of Critical Discussion of the Current Literature     Hybrid Journal   (Followers: 2)
Composite Interfaces     Hybrid Journal   (Followers: 7)
Comprehensive Chemical Kinetics     Full-text available via subscription   (Followers: 1)
Comptes Rendus Chimie     Full-text available via subscription  
Comptes Rendus Physique     Full-text available via subscription   (Followers: 1)
Computational and Theoretical Chemistry     Hybrid Journal   (Followers: 9)
Computational Biology and Chemistry     Hybrid Journal   (Followers: 11)
Computational Chemistry     Open Access   (Followers: 2)
Computers & Chemical Engineering     Hybrid Journal   (Followers: 10)
Coordination Chemistry Reviews     Full-text available via subscription   (Followers: 3)
Copernican Letters     Open Access   (Followers: 1)
Corrosion Series     Full-text available via subscription   (Followers: 6)
Critical Reviews in Biochemistry and Molecular Biology     Hybrid Journal   (Followers: 5)
Croatica Chemica Acta     Open Access  
Crystal Structure Theory and Applications     Open Access   (Followers: 4)
CrystEngComm     Full-text available via subscription   (Followers: 13)
Current Catalysis     Hybrid Journal   (Followers: 2)
Current Chromatography     Hybrid Journal  
Current Green Chemistry     Hybrid Journal  
Current Metabolomics     Hybrid Journal   (Followers: 5)
Current Microwave Chemistry     Hybrid Journal  
Current Opinion in Colloid & Interface Science     Hybrid Journal   (Followers: 9)
Current Opinion in Molecular Therapeutics     Full-text available via subscription   (Followers: 14)
Current Research in Chemistry     Open Access   (Followers: 8)
Current Science     Open Access   (Followers: 70)
Current Trends in Biotechnology and Chemical Research     Open Access   (Followers: 3)
Dalton Transactions     Full-text available via subscription   (Followers: 23)
Detection     Open Access   (Followers: 2)
Developments in Geochemistry     Full-text available via subscription   (Followers: 2)
Diamond and Related Materials     Hybrid Journal   (Followers: 12)
Dislocations in Solids     Full-text available via subscription  
Doklady Chemistry     Hybrid Journal  

        1 2 3 4 | Last

Journal Cover Canadian Journal of Chemistry
  [SJR: 0.364]   [H-I: 57]   [10 followers]  Follow
   Hybrid Journal Hybrid journal (It can contain Open Access articles)
   ISSN (Print) 0008-4042 - ISSN (Online) 1480-3291
   Published by NRC Research Press Homepage  [21 journals]
  • A water-soluble TbIII complex as a temperature-sensitive luminescent probe
    • Authors: Jorge H.S.K. Monteiro, Fernando A. Sigoli, Ana de Bettencourt-Dias
      Pages: 1 - 6
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      The water soluble [Tb(dipicCbz)3]3− (dipicCbz = 4-(9H-carbazol-9-yl-)pyridine-2,6-dicarboxylato) complex was isolated and evaluated as a temperature sensor in water. The 1:3 (TbIII:dipicCbz2−) stoichiometry in solution was confirmed by luminescence titration and high-resolution mass spectrometry. The quantum yield of sensitized emission is 3.8% ± 0.4% at 25.0 ± 0.1 °C, and the emission intensity depends on the temperature in the range of 5–70 °C with a relative thermal sensitivity of 3.4% °C−1 at 35 °C and temperature resolution < 0.01 °C in the range of 30–40 °C. The reversibility of this behavior was demonstrated for three heating–cooling cycles. Calculations of the energy gap between donor and acceptor show that the temperature dependence of the emission intensity is due to back-energy transfer from the Tb 5D4 excited state to the triplet and twisted intramolecular charge transfer (TICT) states of the dipicCbz. The assignment of one of the energy levels as a TICT state was confirmed by the temperature-dependent behavior of the phosphorescence band.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-11-14T10:58:59Z
      DOI: 10.1139/cjc-2017-0436
  • Catalytic asymmetric Friedel–Crafts synthesis of
           1,1′-diaryl-2-substituted 4-pentenes enables stereoselective access to
           functionalized tetrahydronaphthalenes
    • Authors: Étienne Chénard, Jean-Philippe Cusson, Stephen Hanessian
      Pages: 1 - 9
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      A series of electron-rich arenes were reacted with 1-alkyl or 1-aryl 1′-allyl benzylic alcohols to give the corresponding 1,1′-diarylalkanes, in the presence of Lewis and Brønsted acids as catalysts. In the presence of HBF4, 1,1′-diarylalkanes containing an allylic chain were shown to form tetrahydronaphthalenes through a rearrangement involving spirocyclic intermediates. The mechanism of the cyclization is discussed.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-11-10T11:50:32Z
      DOI: 10.1139/cjc-2017-0393
  • The bioactive lipid (S)-sebastenoic acid impacts motility and dispersion
           in Vibrio cholerae
    • Authors: Christopher J.A. Warner, Mauro Salinas, David Zamorano-Sánchez, Walter M. Bray, R. Scott Lokey, Fitnat H. Yildiz, Roger G. Linington
      Pages: 1 - 8
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Although Gram-negative bacterial pathogens continue to impart a substantial burden on global healthcare systems, much remains to be understood about aspects of basic physiology in these organisms. In recent years, cyclic-diguanylate (c-di-GMP) has emerged as a key regulator of a number of important processes related to pathogenicity, including biofilm formation, motility, and virulence. In an effort to discover chemical genetic probes for studying Vibrio cholerae we have developed a new motility-based high-throughput screen to identify compounds that modulate c-di-GMP levels. Using this new screening platform, we tested a library of microbially derived marine natural products extracts, leading to the discovery of the bioactive lipid (S)-sebastenoic acid. The evaluation of the effect of this new compound on bacterial motility, vpsL expression, and biofilm formation implied that (S)-sebastenoic acid may alter phenotypes associated to c-di-GMP signaling in V. cholerae.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-11-10T11:43:41Z
      DOI: 10.1139/cjc-2017-0334
  • Simultaneous determination of nifedipine and atenolol in combined dosage
           forms using a boron-doped diamond electrode with differential pulse
    • Authors: Jessica Scremin, Elen Romão Sartori
      Pages: 1 - 7
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Combinations of nifedipine (NIF) and atenolol (ATN) are used for the treatment of arterial hypertension. Dosages values different from those presented on the label of pharmaceuticals can significantly impact a consumer’s health. To control the quality of the pharmaceuticals effectively, a method for the simultaneous determination of these both drugs using an anodically pretreated boron-doped diamond electrode coupled to differential pulse voltammetry technique was developed. The influence of supporting electrolyte, pH and scan rate on the current response of these both antihypertensives was examined to select the optimum experimental conditions. It was found that NIF and ATN provided two well-shaped and reproducible oxidation peaks at 0.97 V and 1.36 V (vs. Ag/AgCl electrode), respectively, in TRIS buffer solution (pH 8.0). At optimized differential pulse voltammetric parameters, the current response of NIF and ATN was proportionally linear in the concentration range of 3.98–107 μmol L–1 and 1.99–47.2 μmol L–1, with detection limit of 0.612 and 0.999 μmol L−1, respectively. The proposed method was successfully applied in analysis of several commercial combined dosage forms, whose accuracy was attested by good agreement of the results (paired t test at a 95% confidence level) with those obtained using high performance liquid chromatography.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-11-10T11:30:31Z
      DOI: 10.1139/cjc-2017-0302
  • Theoretical study of the CO, NO, and N2 adsorptions on Li-decorated
           graphene and boron-doped graphene
    • Authors: Yao-Dong Song, Liang Wang, Li-Ming Wu
      Pages: 1 - 10
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      The adsorption properties of common gas molecules (CO, NO, and N2) on the surface of Li-decorated pristine graphene and Li-decorated boron doped graphene are investigated using density functional theory. The adsorption energy, charge transfer, and density of states of gas molecules on three surfaces have been calculated and discussed, respectively. The results show that Li-decorated pristine graphene has strong interaction with CO and N2. Compared with Li-decorated pristine graphene, Li-decorated boron doped graphene exhibit a comparable adsorption ability of CO and N2. Moreover, Li-decorated boron doped graphene have a more significant adsorption energy to NO than that of Li-decorated pristine graphene because of the chemical interaction of the NO gas molecule. The strong interaction between the NO molecule and substrate (Li-decorated boron doped graphene) induces dramatic changes to the electrical conductivity of Li-decorated boron doped graphene. The results indicate that Li-decorated boron doped graphene would be an excellent candidate for sensing NO gas.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-11-06T08:00:00Z
      DOI: 10.1139/cjc-2017-0346
  • Facile preparation and isolation of neutral organic electron donors based
           on 4-dimethylaminopyridine
    • Authors: Julien D. Martin, C. Adam Dyker
      Pages: 1 - 4
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      A number of new neutral bis-2-(4-dimethylamino)pyridinylidene electron donors featuring N-akyl groups of varying lengths (propyl, butyl, hexyl, dodecyl) have been prepared from 4-dimethylaminopyridine by means of a simple two-step procedure. Each derivative could be isolated in high yield and could be stored indefinitely under inert atmosphere. The electron donors were chemically oxidized to the corresponding bipyridinium ions, and all compounds were characterized by NMR spectroscopy and cyclic voltammetry. As an emerging class of electron transfer agents, the availability of the isolated neutral bispyridinylidenes should be beneficial for cases that are incompatible with generating the electron donor in situ.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-11-06T08:00:00Z
      DOI: 10.1139/cjc-2017-0526
  • A reinvestigation of mono- and bis-ethynyl phosphonium salts: structural
           and computational studies and new reactivity
    • Authors: Alex J. Veinot, Angela D.K. Todd, Katherine N. Robertson, Jason D. Masuda
      Pages: 1 - 10
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      A series of mono- and bis-ethynyl phosphonium salts have been prepared via reaction of bromoacetylenes, Ph–C≡C–Br or Br–C≡C–C6H4–C≡C–Br, with various phosphines. Some of the derivatives reported are previously known, ([Ph–C≡C–PPh3]Br, [Ph–C≡C–PMe3]Br, [Ph–C≡C–PBu3]Br, and [Ph3P–C≡C–C6H4–C≡C–PPh3][Br2]), however typically these are missing complete spectroscopic characterization and many have been prepared using much more complicated methods. The derivative [Ph–C≡C–PPh3]Br is capable of inhibiting the growth of tumour cells and has been shown crystallographically to have a significant interaction with the heat shock proteins (HSP70 or DnaK). Thus, solid state structures for all seven phosphonium salts prepared have been reported as they may be of interest to others in this field. Sterically encumbered phosphines such as Mes3P did not react with Ph–C≡C–Br; however, (2,4,6-MeO–C6H2)3P was found to slowly react at moderate temperature to give the expected alkynyl phosphonium salt. However, at higher temperatures, the alkynyl phosphonium undergoes an intramolecular cyclization to form a phosphonium analogue of a 1,4-oxazine. Finally, electronic structure calculations reveal the positive charge on the acetylenic β-carbon, a result of a significant contribution of other canonical structures. The flexibility of the P–C≡C bond has been investigated showing a low-energy barrier (
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-10-25T07:00:00Z
      DOI: 10.1139/cjc-2017-0482
  • Synthesis and attempted reductions of bulky 1,3,5-triazapentadienyl groups
           2 and 13 halide complexes
    • Authors: Indrek Pernik, Brant J. Maitland, Andreas Stasch, Cameron Jones
      Pages: 1 - 9
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Three extremely bulky 1,3,5-triazapentadienes, ArNNNH (ArNNN = N{C(But)=N(Ar)}2; Ar = Mes (mesityl), Dep (2,6-diethylphenyl), or Dip (2,6-diisopropylphenyl)) have been prepared and structurally characterized. These are readily deprotonated, yielding a series of lithium and potassium triazapentadienyl complexes, one of which, (DipNNN)Li, has been structurally characterized. Similarly, three monomeric triazapentadienyl magnesium iodide complexes, (ArNNN)MgI(OEt2), and a dimeric calcium counterpart, {(MesNNN)Ca(THF)(μ-I)}2, have been prepared. Attempts to reduce the former gave homoleptic bis(triazapentadienyl) magnesium complexes, (ArNNN)2Mg (Ar = Mes or Dep) as the main products. One reaction also gave a very low yield of the magnesium(I) dimer, {(DepNNN)Mg–}2, which was structurally characterized. In related chemistry, two triazapentadienyl boron difluoride compounds, (ArNNN)BF2 (Ar = Mes or Dep), have been synthesized, and unsuccessful attempts have been made to reduce these to boron(I) heterocycles. For sake of comparison, attempts have been made to prepare a series of related amino-substituted β-diketiminato group 13 element(I) heterocycles. Although these were also not successful, several group 13 element(III) halide complexes incorporating this ligand class have been characterized.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-10-18T07:00:00Z
      DOI: 10.1139/cjc-2017-0548
  • Quantitation of nonspecific protein adsorption at solid–liquid
           interfaces for single-cell proteomics
    • Authors: Man Chung Gilbert Lee, Bingyun Sun
      Pages: 1 - 8
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Protein nonspecific adsorption that occurred at the solid–liquid interface has been subjected to intense physical and chemical characterizations due to its crucial role in a wide range of applications, including food and pharmaceutical industries, medical implants, biosensing, and so on. Protein-adsorption caused sample loss has largely hindered the studies of single-cell proteomics; the prevention of such loss requires the understanding of protein–surface adsorption at the proteome level, in which the competitive adsorption of thousands and millions of proteins with vast dynamic range occurs. To this end, we feel the necessity to review current methodologies on their potentials to characterize — more specifically to quantify — the proteome-wide adsorption. We hope this effort can help advancing single-cell proteomics and trace proteomics.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-10-13T07:00:00Z
      DOI: 10.1139/cjc-2017-0304
  • Common bed bugs can biosynthesize pheromone components from amino acid
           precursors in human blood
    • Authors: Regine Gries, Huimin Zhai, Andrew R. Lewis, Robert Britton, Gerhard Gries
      Pages: 1 - 5
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      We have recently shown that the aggregation pheromone of the common bed bug, Cimex lectularius, comprises a six-component blend of dimethyl disulfide (DMDS), dimethyl trisulfide (DMTS), (E)-2-hexenal, (E)-2-octenal, 2-hexanone, and histamine. Here, we tested the hypothesis that bed bugs biosynthesize some pheromone components from amino acid precursors in human blood, namely DMDS and DMTS from L-methionine and histamine from histidine. We tested this hypothesis by (i) allowing bed bugs to feed on and metabolize sheep blood enriched with 13C-labelled histidine or 2H-labelled methionine, (ii) extracting bed bug feces (a source of the aggregation pheromone), and (iii) analyzing feces extracts by GC-MS, HPLC-MS and NMR spectroscopy. The analyses revealed that bed bugs converted 2H-methionine to 2H-DMDS and 2H-DMTS, and 13C-histidine to 13C-histamine. There is not enough histidine in human blood to account for the amount of histamine that bed bugs produce and excrete with their feces, and only a small proportion of the available 13C-histidine was converted to 13C-histamine in our study. Therefore, it is likely that bed bugs biosynthesize histamine, and possibly also DMDS and DMTS, primarily de novo.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-10-10T07:00:00Z
      DOI: 10.1139/cjc-2017-0407
  • Carbon dot doped silica nanoparticles as fluorescent probe for
           determination of bromate in drinking water samples
    • Authors: Guoqiang Xiang, Huanhuan Fan, Heng Zhang, Lijun He, Xiuming Jiang, Wenjie Zhao
      Pages: 1 - 6
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      A simple and effective strategy for designing a fluorescent probe for bromate was described in this work. Organosilane modified carbon dots were prepared by pyrolysis of citric acid in N-(β-aminoethyl)-γ-aminopropyl methyldimethoxysilane solvent at 230 °C and further doped onto silica nanoparticles by a silylation reaction. The fluorescence of carbon dot doped silica nanoparticles was quenched by bromate in acidic medium. By utilizing this property, the nanoparticle could be used as a sensor to detect bromate. The parameters affecting the performance of the sensor probe such as types of acid medium, acid concentration, reaction temperature, and time were investigated and optimized. The detection limit of the sensor was found to be 1.1 ng mL−1, with a linear range from 8 to 400 ng mL−1 and relative standard deviation of 2.0% (150 ng mL−1, n = 9). The method was successfully applied to the determination of bromate in drinking water samples, and the recoveries were in the range of 96.3%–103.7%.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-10-02T07:00:00Z
      DOI: 10.1139/cjc-2017-0239
  • Theoretical perspective on electronic structure and photophysical
           properties for three cyclometalated iridium(III) complexes bearing
           different substituent groups on the main ligands
    • Authors: Deming Han, Chaoyu Wang, Shijie Fu, Jingmei Li, Shuhui Lv, Yuanhua Yu
      Pages: 1 - 6
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      To investigate the influence of the different substituents in the main ligands on the electronic structures, phosphorescent properties, and organic light-emitting devices (OLEDs) performance, three iridium(III) complexes 1, 2, and 3 are studied by means of the density functional theory/time-dependent density functional theory (DFT/TDDFT). Ionization potential, electron affinities, and reorganization energy have also been obtained to evaluate the charge transfer and balance properties between hole and electron for the three complexes. The lowest energy absorption wavelength calculated for complex 1 is in very good agreement with the experimental value. The lowest energy emissions of complexes 1, 2, and 3 are localised at 492, 565, and 510 nm, respectively, at M052X level. It is expected that this work might provide a way to develop potential iridium(III) phosphors with good electroluminescent performance.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-10-02T07:00:00Z
      DOI: 10.1139/cjc-2017-0539
  • Synthesis and characterization of a stable non-cyclic bis(amino)arsenium
    • Authors: Marcus Kuprat, Axel Schulz, Max Thomas, Alexander Villinger
      Pages: 1 - 11
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      The reaction of Li[Mes*NH] (1, Mes* = 2,4,6-tri-tert-butylphenyl) with aminoarsane Mes*N(H)AsCl2 (2, Mes* = 2,4,6-t-Bu3C6H2) at −80 °C resulted in the formation of bisamino(chloro)arsane (Mes*NH)2AsCl (3Cl) by elimination of LiCl. 3Cl reacted with the Lewis acids such as AlCl3, GaCl3, and Ag[X] (X = AsF6−, OTf−, BF4−; OTf = trifluoromethanesulfonate = OSO2CF3−) upon chloride ion abstraction to give salts bearing the cation [(Mes*NH)2As]+ (3[X]; X = AsF6−, OTf−, BF4−, ECl4; E = Al, Ga). 3+ represents the first NH-functionalized acyclic bis(amino)arsenium cation. The formation of the salts bearing 3+ could also be observed in the reaction of cyclo-1,3-diarsa-2,4-diazane [ClAs(μ-NMes*)]2 (4) with Lewis acids (AlCl3, GaCl3) in the presence of proton sources in solution. All presented salts 3[X] were stable at room temperature and fully characterized.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-09-28T07:00:00Z
      DOI: 10.1139/cjc-2017-0420
  • An investigation of hybridization and the orbital models of molecular
           electronic structure for CH4, NH3, and H2O
    • Authors: C.E. Brion, Saul Wolfe, Zheng Shi, Glyn Cooper, Yenyou Jeff Zheng
      Pages: 1 - 9
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Observations of the physical behaviour (motions) of the valence (frontier) electrons in the iconic benchmark hydride molecules CH4, NH3, and H2O are used to provide a direct experimental evaluation of hybridization and of the localized and delocalized orbital models of molecular electronic structure, after more than 80 years since the initial proposals of these theoretical concepts. Our previously published experimental measurements of valence (frontier) electron momentum probability distributions, made by electron momentum spectroscopy (EMS), are compared with those calculated using the localized molecular orbital (LMO) model and a range of hybrid orbital models, as well as with the delocalized canonical molecular orbital (CMO) and density functional theory Kohn–Sham orbital (KSO) models. In all cases, the electron momentum probability distributions calculated with LMOs and localized hybrid orbital type models are inconsistent with the experimental observations. In contrast, those calculated with the delocalized CMOs and KSOs are in very good agreement with the experimental measurements. These findings are of importance in those research applications such as reactivity, drug and novel material design, and also in molecular electronics, where the shapes and orientations of particular valence (frontier) orbital electron density probability distributions (and not the total electron densities) are considered to be key determining factors. These findings and their implications are also of pedagogical significance in chemistry and molecular physics.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-09-26T07:00:00Z
      DOI: 10.1139/cjc-2017-0450
  • An efficient, room temperature, oxygen radical anion (O2•−) mediated,
           one-pot, and multicomponent synthesis of spirooxindoles
    • Authors: Somaiah Gajaganti, Shivam Bajpai, Vandana Srivastava, Sundaram Singh
      Pages: 1 - 7
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      The present report highlights an efficient use of oxygen radical anion to promote a room temperature multi-component synthesis of spirooxindoles (4a–4l) under mild reaction conditions. The potassium superoxide (KO2) and tetraethylammonium bromide (TEAB) combination generate the oxygen radical anion in situ to promote this transformation. This method offers a sustainable and direct access to the biologically important spirooxindole derivatives in good to excellent yields.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-09-26T07:00:00Z
      DOI: 10.1139/cjc-2017-0432
  • An analogy study on ESIPT reaction for 3BHC sensor between polar DMF and
           nonpolar toluene
    • Authors: Dapeng Yang, Min Jia, Jingyuan Wu, Xiaoyan Song, Qiaoli Zhang
      Pages: 1 - 5
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      A comparison about excited state intramolecular proton transfer (ESIPT) mechanism of a new sensor 3-(1,3-benzothiazol-2-yl)-2-hydroxynaphthalene-1-carbaldehyde (3BHC) in polar solvent dimethylformamide (DMF) and nonpolar solvent toluene have been investigated within the framework of the time-dependent density functional theory (TD-DFT) method. The reproduced previous experimental absorption and emission spectra via our calculations reveals the reasonability of the DFT and TD-DFT theoretical level. The staple bond lengths, bond angles, and corresponding infrared vibrational spectra demonstrate that the intramolecular hydrogen bond of 3BHC should be strengthened in both polar DMF and nonpolar toluene. Two kinds of ESIPT mechanisms for different solvents have been put forward; there is a low potential barrier in the ESIPT process in the DMF solvent, whereas there is almost a nonbarrier for the ESIPT process in the toluene solvent. Hence, we could conclude that the ESIPT process of 3BHC sensor is more likely to occur in the nonpolar solvent upon the photoexcitation, based on which, the excited state behavior of 3BHC could be controlled.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-09-26T07:00:00Z
      DOI: 10.1139/cjc-2017-0463
  • Corrigendum: Analytical quantification of electrochemical ferrates for
           drinking water treatments
    • Authors: Macarena A. Cataldo Hernández, Andrew May, Arman Bonakdapour, Madjid Mohseni, David P. Wilkinson
      Pages: 1 - 1
      Abstract: Canadian Journal of Chemistry, e-First Articles.

      Citation: Canadian Journal of Chemistry
      PubDate: 2017-09-23T10:04:53Z
      DOI: 10.1139/cjc-2017-0583
  • Integrating regression and classification-based QSARs with molecular
           docking analyses to explore the structure-antiaromatase activity
           relationships of letrozole-based analogs
    • Authors: Nilanjan Adhikari, Sk. Abdul Amin, Tarun Jha, Shovanlal Gayen
      Pages: 1 - 11
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Aromatase is a multienzyme complex responsible for the biosynthesis of estrogen and its level has been found higher in breast cancer. Although the designing strategy of aromatase inhibitors (AIs) has continued for more than four decades, it may still be in demand to design highly effective and less toxic AIs. In this study, several chemometric approaches have been used to explore the important structural features of a series of letrozole-based analogs for their promising aromatase inhibitory activity. All techniques are statistically validated individually and in turn, validated with each other along with the structure–activity relationship (SAR) observations. The imidazole ring has been found to interact with the heme iron, whereas the triazole ring system has not shown any interaction. Moreover, imidazole function is better than 1,2,3-triazole, whereas 1,2,3-triazole is better than the 1,2,5-triazole ring system. Additionally, a bulky aryl substitution in the azole ring along with the orientation of the azole nitrogens and the cyanophenyl function has an essential role in the inhibition of aromatase. Furthermore, a cyano group substituted at the phenyl moiety interacts with Arg115, Met374, and Ser478 at the enzyme active site to form hydrogen bonding interactions. These observations are useful for designing potential AIs in the future.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-09-22T07:00:00Z
      DOI: 10.1139/cjc-2017-0419
  • Genetically modified human type II collagen for N- and C-terminal covalent
    • Authors: Andrew Wieczorek, Clara K. Chan, Suzana Kovacic, Cindy Li, Thomas Dierks, Nancy R. Forde
      Pages: 1 - 8
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Collagen is the predominant structural protein in vertebrates, where it contributes to connective tissues and the ECM; it is also widely used in biomaterials and tissue engineering. Dysfunction of this protein and its processing can lead to a wide variety of developmental disorders and connective tissue diseases. Recombinantly engineering the protein is challenging due to post-translational modifications generally required for its stability and secretion from cells. Introducing end labels into the protein is problematic, because the N- and C-termini of the physiologically relevant tropocollagen lie internal to the initially flanking N- and C-propeptide sequences. Here, we introduce mutations into human type II procollagen in a manner that addresses these concerns and purify the recombinant protein from a stably transfected HT1080 human fibrosarcoma cell line. Our approach introduces chemically addressable groups into the N- and C-telopeptide termini of tropocollagen. Simultaneous overexpression of formylglycine generating enzyme (FGE) allows the endogenous production of an aldehyde tag in a defined, substituted sequence in the N terminus of the mutated collagen, whereas the C-terminus of each chain presents a sulfhydryl group from an introduced cysteine. These modifications are designed to enable specific covalent end-labelling of collagen. We find that the doubly mutated protein folds and is secreted from cells. Higher order assembly into well-ordered collagen fibrils is demonstrated through transmission electron microscopy. Chemical tagging of thiols is successful; however, background from endogenous aldehydes present in wild-type collagen has thus far obscured the desired specific N-terminal labelling. Strategies to overcome this challenge are proposed.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-09-22T07:00:00Z
      DOI: 10.1139/cjc-2017-0335
  • P-arylation of aryl halides by an environmentally compatible method
    • Authors: Sara Sobhani, Zahra Vahidi
      Pages: 1 - 5
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      In this paper, palladium–DABCO complex supported on magnetic nanoparticles was successfully used as a new magnetically recoverable heterogeneous catalyst for the synthesis of arylphosphonates via P-arylation of different types of aryl halides (aryl iodides/bromides/chlorides and benzene boronic acid/sulfonate), with phosphite esters (triethyl/triphenyl/tri-iso-propyl/diethyl/diphenyl/di-iso-propyl phosphite) in neat water without using any additive. The heterogeneous catalyst was easily isolated from the reaction mixture by an external magnet and reused five times without significant degradation in its activity.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-09-22T07:00:00Z
      DOI: 10.1139/cjc-2017-0364
  • Medium effect (water versus MeCN) on reactivity and reaction pathways for
           the SNAr reaction of 1-aryloxy-2,4-dinitrobenzenes with cyclic secondary
    • Authors: Ik-Hwan Um, Min-Young Kim, Julian M. Dust
      Pages: 1 - 7
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      A kinetic study on SNAr reactions of 1-aryloxy-2,4-dinitrobenzenes (1a–1h) with a series of cyclic secondary amines in 80 mol% water – 20 mol% DMSO at 25.0 ± 0.1 °C is reported. The plots of kobsd versus amine concentration curve upward except for the reactions of substrates possessing a strong electron-withdrawing group in the leaving aryloxide with strongly basic piperidine. The curved plots indicate that the reactions proceed through both uncatalytic and catalytic routes. Linear Brønsted-type plots have been obtained for the uncatalyzed and catalyzed reactions of 1-(4-nitrophenoxy)-2,4-dinitrobenzene (1a) with βnuc = 0.84 and 0.78, respectively. The Yukawa–Tsuno plot for the uncatalyzed reactions of 1a–1h with piperidine results in an excellent linear correlation with ρ = 1.66 and r = 0.31. In contrast, rate constants for catalyzed reactions are independent of the electronic nature of the substituent in the leaving group. The current SNAr reactions have been proposed to proceed via a zwitterionic intermediate (MC±) that partitions to products through uncatalytic and catalytic routes. The catalyzed reaction from MC± has been concluded to proceed through a concerted mechanism with a six-membered cyclic transition state (TScycl) rather than via a stepwise pathway with a discrete anionic intermediate (MC−), the traditionally accepted mechanism. Medium effects on the reactivity and reaction mechanism are discussed. Particularly, hydrogen bonding of the amines to water precludes formation of kinetically significant dimers found in some aprotic solvents; no explicit role for water in the catalytic transition state is required or proposed. The specific stabilization of the leaving aryloxides substituted with strong electron-withdrawing groups accounts for the lack of the catalytic pathway in these systems (1a–1c) with piperidine nucleophile.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-09-19T07:00:00Z
      DOI: 10.1139/cjc-2017-0454
  • Theoretical analysis of high-pressure effects on conformational equilibria
    • Authors: Jacob Spooner, Heather Wiebe, Miranda Louwerse, Brandon Reader, Noham Weinberg
      Pages: 1 - 12
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Along with temperature, pressure is the most important physical parameter determining the thermodynamic properties and reactivity of chemical systems. In this work, we discuss the effects of high pressure on conformational properties of organic molecules and propose an approach toward calculation of conformational volume changes based on molecular dynamics simulations. The results agree well with the experimental data. Furthermore, we demonstrate that pressure can be used as an instrument for fine-tuning of molecular conformations and to propel a properly constructed molecular rotor possessing a suitable combination of energy and volume profiles.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-09-18T07:00:00Z
      DOI: 10.1139/cjc-2017-0411
  • Thiol-ene click microcontact printing of gold nanoparticles onto silicon
    • Authors: Casey M. Platnich, Abhinandan Banerjee, Vinayaraj Ozhukil Kollath, Kunal Karan, Simon Trudel
      Pages: 1 - 6
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      We report a novel process to selectively pattern nanomaterials, specifically gold nanoparticles, onto a silicon surface through “click” chemistry, to consistently and efficiently join together small units through a quick and simple reaction. We employed the UV-initiated thiol-ene reaction, which is used in tandem with microcontact printing. Dithiol-capped nanoparticles were used as a printing ink and were grafted onto ene-terminated Si(100) wafers by pressing a nanoparticle-impregnated poly(dimethylsiloxane) stamp, while irradiating with ultraviolet light to activate a radical initiator. The resulting structures were characterized using scanning electron microscopy and atomic force microscopy.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-09-18T07:00:00Z
      DOI: 10.1139/cjc-2017-0321
  • Application of sequential proline-catalyzed α-chlorination and aldol
           reactions in the total synthesis of 1-deoxygalactonojirimycin
    • Authors: Michael Meanwell, Mathew Sutherland, Robert Britton
      Pages: 1 - 4
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      A short enantioselective total synthesis of 1-deoxygalactonojirimycin (migalastat) has been achieved that does not rely on chiral pool starting materials or biocatalysis. Instead, this synthesis exploits a one-pot proline-catalyzed α-chlorination and aldol reaction of a commercially available aldehyde to assemble the entire carbon skeleton in a single step. The key role played by a nitrogen protecting group in the final epoxide opening reaction is highlighted as is the amenability to access structural analogues using this route.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-09-14T06:46:17Z
      DOI: 10.1139/cjc-2017-0318
  • A simple and sensitive sensor for silver ions based on unmodified gold
           nanoparticles by using dynamic light scattering techniques
    • Authors: Zhiyou Xiao, Anjiang Tang, Hongsheng Huang, Ze Wang
      Pages: 1 - 6
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      A simple and sensitive assay for Ag+ was developed with unmodified gold nanoparticles (AuNPs) by using dynamic light scattering techniques. Ag+ could induce the oligonucleotide (5′-ATC ACT ATA TCA TAT ACT CAT-3′) to change from a single-stranded structure to a double-stranded structure and desorb from the surface of AuNPs, which triggered the aggregation of AuNPs in the salt solution. The average hydrodynamic diameter of aggregated AuNPs could be detected by using dynamic light scattering techniques. Under the optimum conditions, the average hydrodynamic diameter of AuNPs is proportional to the concentration of Ag+ within the range of 13.3–100.0 nmol/L, with a detection limit of 3.2 nmol/L. The method is easy to operate and has low sample consumption, high sensitivity and selectivity.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-09-13T07:00:00Z
      DOI: 10.1139/cjc-2017-0241
  • Correlation of pheromone-binding protein–ligand equilibrium dissociation
           constants with electroantennogram response patterns
    • Authors: Mailyn Terrado, Yang Yu, Erika Plettner
      Pages: 1 - 10
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Pheromone-binding proteins (PBPs) are water-soluble proteins found at high concentration in the lymph fluid of pheromone-sensing hairs on insect antennae. PBPs could function as pheromone transporters, ferrying the hydrophobic odorants to their cognate odorant receptors. However, it is also possible for these proteins to bind the odorants near the dendritic membrane of pheromone-sensing neurons and, therefore, function as scavengers. The two functions are not mutually exclusive. In this paper, the transporter and (or) scavenger roles of PBPs in pheromone perception were investigated using the pheromone of the gypsy moth (7R, 8S)-epoxy-2-methyloctadecane and analogues with heteroatom (O or S) substitutions in the hydrocarbon chain. PBP–ligand equilibrium dissociation constants (Kd) were correlated with electroantennogram (EAG) response patterns of male gypsy moth antennae to the pheromone, its enantiomer, and their respective analogues. EAG measures the potential drop across the antenna due to odorant receptor activation and subsequent ion channel opening. Three quantifiable properties of the EAG responses were used: lag times from stimulus to response onset, depolarization rates (rate of receptor activation), and repolarization rates (rate of receptor deactivation). Negative correlations were observed between Kd and lag times and between Kd and repolarization rates. Positive correlations were seen with Kd against depolarization rates. The inverse relationship of Kd constants with lag times and the direct relationship with depolarization rates strongly supports transporter function of PBPs. Interestingly, the inverse correlation of Kd constants with repolarization rates suggests a scavenger effect. These results indicate that PBP affects odorant receptor activity through both odorant transport and scavenger functions. Through differences in ligand binding affinities, PBPs influence pheromone availability for receptor activation.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-09-13T07:00:00Z
      DOI: 10.1139/cjc-2017-0339
  • Michael addition at neutral pH: a facile synthesis of 1,3-dinitroalkanes
    • Authors: Porag Bora, Pranjal P. Bora, Barisha Wahlang, Ghanashyam Bez
      Pages: 1 - 6
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Base-catalyzed Michael addition of nitroalkane to conjugated nitroalkene suffers serious practical difficulties due to the formation of oligomeric byproduct. Given its importance for synthesis of pharmacologically relevant organic compounds, a scalable synthesis of 1,3-dinitroalkane is developed by addition of nitroalkane to nitroalkene in aqueous phosphate buffer at pH 7.0 with no added traditional base catalyst.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-08-25T07:00:00Z
      DOI: 10.1139/cjc-2017-0257
  • Analysis of the interaction between the cocaine-binding aptamer and its
           ligands using fluorescence spectroscopy
    • Authors: Aron A. Shoara, Sladjana Slavkovic, Logan W. Donaldson, Philip E. Johnson
      Pages: 1 - 8
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      We used fluorescence spectroscopy to measure the binding affinity and provide new insights into the binding mechanism of cocaine and quinine with the cocaine-binding DNA aptamer. Using the intrinsic fluorescence of quinine and cocaine, we have observed quenching of ligand fluorescence upon binding of the aptamer. Quantification of this quenching provides an easy method to measure the binding constant using small amounts of sample. The observed quenching coupled with a red shift of the Stokes shift in the emission spectrum indicates that quinine and cocaine interact with the aptamer through stacking interactions.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-08-22T07:00:00Z
      DOI: 10.1139/cjc-2017-0380
  • Experimental and modelling liquid–liquid equilibrium for the system
           2-ethyl-1-hexanol + glycerol
    • Authors: A.L. Araujo, M.O. Ferreira, C.P. Souza, L. Cardozo Filho, E.M.B.D de Sousa
      Pages: 1 - 6
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      This work presents experimental data on liquid–liquid equilibrium (LLE) for the system 2-ethyl-1-hexanol + glycerin. Equilibrium data were obtained through “cloud point” method, at temperatures of 298.15 K, 313.15 K, 333.15 K, 368.15 K, 383.15 K, 403.15 K, and 433.1 K. For the experimental data, a UNIQUAC model was used to describe the phase’s equilibrium performance. Posteriorly, a phase split stability test was done to validate the parameters found in this model. The system presented “upper critical solution temperature” (UCST), and the parameters of the UNIQUAC model were satisfactorily adjusted (1.27% standard deviation). The stability phase test (phase split) proved the validation of the tested model.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-08-16T07:00:00Z
      DOI: 10.1139/cjc-2017-0003
  • Collective and single-particle degrees of freedom in rotating nuclei
    • Authors: Anish Verma, Krzysztof Starosta
      Pages: 1 - 10
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      In 1937, Hermann Jahn and Edward Teller published their research describing a mechanism of symmetry breaking in nonlinear polyatomic molecules resulting in a lifting of orbital degeneracy of an electronic state (Proc. R. Soc. London, Ser. A 1937, 161, 220), yielding insight into molecular structure. The impact of symmetry breaking on the energy and structure of quantum states is not unique to molecules and may be applied to nuclei, involving degenerate nucleon states as opposed to electronic states. Reinhard and Otten showed that the nuclear Jahn–Teller effect provides a mechanism applicable to describe the commonly observed collective quadrupole surface motion (Nucl. Phys. A 1984, 420, 173). To take into account single-particle effects, it is important to properly model the valence nucleons, especially those occupying large angular momenta orbitals near the Fermi level. In this work, a model has been developed in which two valence nucleons of the same kind are coupled to an axially symmetric quadrupole deformed rotor of the D2 symmetry and interact through the nuclear delta force. To test this model, the band of the lowest-energy state at a given spin for 126Ce is reproduced. The resultant wavefunctions are then used to calculate the g factor, reduced electric quadrupole transition probability, and spectroscopic quadrupole moment all as a function of spin. This method lays the groundwork to explore higher order symmetries following the multipole expansion.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-08-16T07:00:00Z
      DOI: 10.1139/cjc-2017-0275
  • Application of Fe3O4@SiO2/(CH2)3-[imidazolium-SO3H]Cl as a robust,
           magnetically recoverable solid acid catalyst for the facile preparation of
    • Authors: Mohammad Ali Zolfigol, Mahdiyeh Navazeni, Meysam Yarie, Roya Ayazi-Nasrabadi
      Pages: 1 - 5
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      In this study, Fe3O4@SiO2/(CH2)3-[imidazolium-SO3H]Cl shows robust promoting capability in the synthesis of arylbispyranylmethane derivatives under mild and green conditions. Arylbispyranylmethanes were synthesized via efficient three-component reaction of various aromatic aldehydes with 4-hydroxy-6-methyl-2H-pyran-2-one. The nanomagnetic core-shell catalyst presented effective potential of at least eight times recycling applicability in the described synthetic procedure.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-08-16T07:00:00Z
      DOI: 10.1139/cjc-2017-0232
  • Hydrogen evolution at conjugated polymer nanoparticle electrodes
    • Authors: Patrick Fortin, Subash Rajasekar, Pankaj Chowdhury, Steven Holdcroft
      Pages: 1 - 10
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Organic polymer nanoparticles have been gaining attention in photovoltaics as a means to control the morphology of polymer composite films for the purpose of studying bulk heterojunction, photoactive layers. This work investigates the preparation of nanostructured organic thin films from P3HT:PC61BM nanoparticles and their characterization as photoelectrodes for the photoelectrochemical reduction of hydrogen in acidic solutions. The morphology and optoelectronic properties of the nanostructured photocathodes are compared with conventional, solution-cast thin films of P3HT:PC61BM. The nanostructured photoelectrodes provide increased surface area compared with solution-cast films through control of the nanoscale morphology within each nanoparticle, leading to enhanced P3HT:PC61BM phase segregation. The photo-assisted deposition of platinum nanoparticles as hydrogen evolution reaction (HER) catalysts onto the nanostructured P3HT:PC61BM photocathodes facilitates the photoreduction of protons to H2.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-08-14T07:00:00Z
      DOI: 10.1139/cjc-2017-0329
  • Adsorption of methanol, methanal, toluene, ethylbenzene, and styrene in
           zeolites: a grand canonical Monte Carlo simulation study
    • Authors: Fei Zhao, XiShang Sun, Ruifeng Lu, Lihua Kang
      Pages: 1 - 7
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      In this study, the adsorption behaviors of methanol, methanal, toluene, ethylbenzene, and styrene molecules in FAU, FER, CON, and MWW zeolites were investigated. The adsorption isotherms of the five adsorbates in the four zeolites at 298 and 350 K were simulated using grand canonical Monte Carlo simulations. Moreover, binary component adsorptions were considered. The results revealed that the saturated adsorption capacity of single components in different zeolites decreased in the order of FAU> MWW> CON> FER, and the adsorption capacity of the five adsorbates in the same zeolite decreased in the order of methanal> methanol> toluene> styrene> ethylbenzene. The equilibrium adsorption capacity slightly decreased with increasing temperature. In terms of binary component adsorption, intense competition existed between the smaller adsorbed molecules. As the differences among the molecular structures increased, the competition in adsorption became more intense.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-08-01T07:00:00Z
      DOI: 10.1139/cjc-2017-0218
  • Investigating the cheletropic reaction between sulfur dioxide and
           butadiene-containing linkers in UiO-66
    • Authors: Jinfeng Zhang, Jared B. DeCoste, Michael J. Katz
      Pages: 1 - 5
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      UiO-66 and a muconic acid functionalized derivative of UiO-66 (UiO-66-MA) were synthesized via the solvothermal method to determine if the muconic acid could undergo a cheletropic reaction in the presence of sulfur dioxide inside the metal-organic framework (MOF). Both MOFs were exposed to a constant flow of sulfur dioxide, and UiO-66-MA was observed to take up three times more sulfur dioxide than unfunctionalized UiO-66. Despite the improved uptake of sulfur dioxide in UiO-66-MA, NMR and IR data indicate that no chemical change occurred to the muconic acid indicating that a cheletropic reaction did not occur. We thus propose that the increased adsorption is due to either an interaction between the sulfur dioxide and unbound carboxylic acid from the muconic acid or a favourable interaction between the butadiene of muconic acid and sulfur dioxide.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-07-25T07:00:00Z
      DOI: 10.1139/cjc-2017-0306
  • The impact of molecular symmetry and shape on the stability of discotic
           liquid crystals
    • Authors: Emilie Voisin, Vance E. Williams
      Pages: 1 - 7
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Three series of dibenzo[a,c]phenazines were prepared in an order to assess the impact of side chain position on the phase stability of columnar liquid crystals. Each series was composed of four isomeric compounds differing only in the disposition of hexyloxy and decyloxy chains around the central aromatic core, giving rise to electronically similar compounds with varying shapes and symmetries. The substitution pattern was found to have a moderate effect on the clearing transition of the liquid crystal but a larger impact on the melting temperatures. These observations suggest a viable strategy for controlling the phase range of liquid crystals via judicious choice of peripheral chain structure and location.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-07-18T07:00:00Z
      DOI: 10.1139/cjc-2017-0317
  • Fukushima-derived radioactivity measurements in Pacific salmon and soil
           samples collected in British Columbia, Canada
    • Authors: Thomas Domingo, Krzysztof Starosta, Aaron Chester, Jonathan Williams, Sarah J. Lehnert, Nikolaus Gantner, Juan José Alava
      Pages: 1 - 8
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Despite the many studies that have shown minimal health risks to individuals living outside of Japan following the Fukushima Nuclear Accident, there are persisting concerns regarding the consumption of Pacific seafood that may be contaminated with radioactive species from Fukushima. To address these concerns, the activity concentrations of anthropogenic 134Cs and 137Cs, as well as naturally occurring 40K, were measured in Pacific salmon collected from Kilby Provincial Park, British Columbia (BC), in 2013 and from the Quesnel River, BC, in 2014 using low-background gamma-ray spectroscopy. In addition, soil samples and a single roof-debris sample were collected and analysed to provide a record of Fukushima-derived contamination in BC. Cesium-134 was not detected in the salmon samples. Cesium-137 was not detected in any of the sockeye or chum samples, although it was detected in all of the Chinook samples. The weighted average (±1σ) 137Cs activity concentration in the Chinook salmon collected in 2013 and 2014 was 0.23 (3) and 0.20 (3) Bq/kg fresh weight, respectively. A conservative annual dose estimate for an adult who consumes the average Canadian quantity of seafood per year, contaminated with radiocesium at the maximum concentrations measured in this campaign, was calculated to be 0.054 μSv per year. Cesium-134 was detected in all but two of the soil samples. A weak positive correlation was observed between presence of 134Cs and of 7Be suggesting that the 134Cs arrived via atmospheric deposition. Cesium-137 was present in every soil sample, although the total radiocesium activity concentrations measured were significantly less than action levels set by Health Canada.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-07-18T07:00:00Z
      DOI: 10.1139/cjc-2017-0272
  • Syntheses, characterization, and electrochemical behavior of alkylated
           2-(2′-quinolylbenzimidazole) complexes of rhenium (I)
    • Authors: Samuel S. Hanson, Jeffrey J. Warren
      Pages: 1 - 5
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      A series of ClRe(CO)3-containing complexes with 1-methyl-1H-benzo[d]imidazol-2-yl)quinoline (Me-QuBIm), 1-benzyl-1H-benzo[d]imidazol-2-yl)quinoline (Bn-QuBIm), and 2-(1-(4-methoxybenzyl)-1H-benzo[d]imidazol-2-yl)quinoline (OMeBn-QuBIm) ligands were prepared and characterized. Each complex was characterized using 1H and 13C NMR, infrared, UV–vis, and fluorescence spectroscopies, and cyclic voltammetry. The physical properties of each complex are similar to the parent ClRe(CO)3(2-(1H-benzo[d]imidazol-2-yl)quinoline) complex. However, the electrochemical behavior is distinct from the parent, showing reversible voltammograms and poor CO2 reduction activity. Addition of K+ or Mg2+ as Lewis acids modestly increases catalytic currents, but at large overpotentials. The work presented here is consistent with a mechanism that involves rhenium reduction and deprotonation of imidazole and benzimidazole prior to CO2 reduction electrocatalysis.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-07-18T07:00:00Z
      DOI: 10.1139/cjc-2017-0320
  • Exploration of the 150 cavity and the role of serendipity in the discovery
           of inhibitors of influenza virus A neuraminidase
    • Authors: Sankar Mohan, B. Mario Pinto
      Pages: 1 - 11
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Influenza pandemics are an ongoing threat for the human population, as the avian influenza viruses H5N1 and H7N9 continue to circulate in the bird population and the chance of avian to human transmission increases. Neuraminidase, a glycoprotein located on the surface of the influenza virus, plays a crucial role in the viral replication process and, hence, has proven to be a useful target enzyme for the treatment of influenza infections. The discovery that certain subtypes of influenza neuraminidase have an additional cavity, the 150 cavity, near the substrate binding site has triggered considerable interest in the design of influenza inhibitors that exploit this feature. Currently available antiviral drugs, neuraminidase inhibitors oseltamivir and zanamivir, were designed using crystal structures predating this discovery by some years. This mini review is aimed at summarizing our group’s efforts, together with related work from other groups, on neuraminidase inhibitors that are designed to exploit both the catalytic site and the 150 cavity. The design of a parent scaffold that yields a potent inhibitor that is active in cell culture assays and retains activity against several neuraminidases from mutant strains is also described. Finally, the role of serendipity in the discovery of a new class of potent neuraminidase inhibitors with a novel spirolactam scaffold is also highlighted.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-07-18T07:00:00Z
      DOI: 10.1139/cjc-2017-0343
  • Octahedral Co(III) salen complexes: the role of peripheral ligand
           electronics on axial ligand release upon reduction
    • Authors: Chen Zhang, Mathew Sutherland, Khrystyna Herasymchuk, Ryan M. Clarke, John R. Thompson, Linus Chiang, Charles J. Walsby, Tim Storr
      Pages: 1 - 9
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      A series of octahedral CoIII salen complexes (where salen represents a N2O2 bis-Schiff-base bis-phenolate framework) were prepared with axial imidazole ligating groups. When using 1-methylimidazole (1-MeIm) axial ligands, the CoIII/CoII reduction potential could be altered by 220 mV via variation of the electron-donating ability of the para-ring substituents (R = H (1), OMe (2), tBu (3), Br (4), NO2 (5), and CF3 (6)). In addition, the irreversibility of the reduction process suggested substantial geometrical changes and axial ligand exchange upon reduction to the more labile CoII oxidation state. Installing an imidazole-coumarin conjugate as the axial ligands resulted in fluorescence quenching when bound to the CoIII centre (R = H (7), OMe (8), and CF3 (9)). The redox properties and fluorescence increase upon ligand release for 7–9 were studied under reducing conditions and in the presence of excess competing ligand (1-MeIm). It was determined that the Lewis acidity of the CoIII centre was the dominant factor in controlling axial ligand exchange for this series of complexes.
      Citation: Canadian Journal of Chemistry
      PubDate: 2017-07-04T07:00:00Z
      DOI: 10.1139/cjc-2017-0277
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