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  Subjects -> CHEMISTRY (Total: 891 journals)
    - ANALYTICAL CHEMISTRY (55 journals)
    - CHEMISTRY (621 journals)
    - CRYSTALLOGRAPHY (21 journals)
    - ELECTROCHEMISTRY (28 journals)
    - INORGANIC CHEMISTRY (45 journals)
    - ORGANIC CHEMISTRY (51 journals)
    - PHYSICAL CHEMISTRY (70 journals)

CHEMISTRY (621 journals)                  1 2 3 4 | Last

Showing 1 - 200 of 735 Journals sorted alphabetically
2D Materials     Hybrid Journal   (Followers: 14)
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: 43)
ACS Chemical Neuroscience     Full-text available via subscription   (Followers: 21)
ACS Combinatorial Science     Full-text available via subscription   (Followers: 23)
ACS Macro Letters     Full-text available via subscription   (Followers: 26)
ACS Medicinal Chemistry Letters     Full-text available via subscription   (Followers: 41)
ACS Nano     Full-text available via subscription   (Followers: 274)
ACS Photonics     Full-text available via subscription   (Followers: 14)
ACS Symposium Series     Full-text available via subscription  
ACS Synthetic Biology     Full-text available via subscription   (Followers: 24)
Acta Chemica Iasi     Open Access   (Followers: 5)
Acta Chimica Slovaca     Open Access   (Followers: 2)
Acta Chimica Slovenica     Open Access   (Followers: 1)
Acta Chromatographica     Full-text available via subscription   (Followers: 9)
Acta Facultatis Medicae Naissensis     Open Access  
Acta Metallurgica Sinica (English Letters)     Hybrid Journal   (Followers: 7)
Acta Scientifica Naturalis     Open Access   (Followers: 3)
adhäsion KLEBEN & DICHTEN     Hybrid Journal   (Followers: 6)
Adhesion Adhesives & Sealants     Hybrid Journal   (Followers: 9)
Adsorption Science & Technology     Full-text available via subscription   (Followers: 6)
Advanced Functional Materials     Hybrid Journal   (Followers: 57)
Advanced Science Focus     Free   (Followers: 5)
Advances in Chemical Engineering and Science     Open Access   (Followers: 66)
Advances in Chemical Science     Open Access   (Followers: 18)
Advances in Chemistry     Open Access   (Followers: 21)
Advances in Colloid and Interface Science     Full-text available via subscription   (Followers: 19)
Advances in Drug Research     Full-text available via subscription   (Followers: 23)
Advances in Environmental Chemistry     Open Access   (Followers: 5)
Advances in Enzyme Research     Open Access   (Followers: 10)
Advances in Fluorine Science     Full-text available via subscription   (Followers: 9)
Advances in Fuel Cells     Full-text available via subscription   (Followers: 17)
Advances in Heterocyclic Chemistry     Full-text available via subscription   (Followers: 11)
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: 16)
Advances in Polymer Science     Hybrid Journal   (Followers: 43)
Advances in Protein Chemistry     Full-text available via subscription   (Followers: 18)
Advances in Protein Chemistry and Structural Biology     Full-text available via subscription   (Followers: 19)
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: 64)
American Journal of Biochemistry and Molecular Biology     Open Access   (Followers: 17)
American Journal of Chemistry     Open Access   (Followers: 30)
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: 165)
Angewandte Chemie International Edition     Hybrid Journal   (Followers: 244)
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: 2)
Applied Organometallic Chemistry     Hybrid Journal   (Followers: 9)
Applied Spectroscopy     Full-text available via subscription   (Followers: 23)
Applied Surface Science     Hybrid Journal   (Followers: 31)
Arabian Journal of Chemistry     Open Access   (Followers: 6)
ARKIVOC     Open Access   (Followers: 1)
Asian Journal of Biochemistry     Open Access   (Followers: 2)
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: 350)
Biochemistry Insights     Open Access   (Followers: 6)
Biochemistry Research International     Open Access   (Followers: 6)
BioChip Journal     Hybrid Journal  
Bioinorganic Chemistry and Applications     Open Access   (Followers: 10)
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: 2)
Biomacromolecules     Full-text available via subscription   (Followers: 21)
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: 128)
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: 8)
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: 10)
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: 18)
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: 191)
Chemical Science     Open Access   (Followers: 24)
Chemical Technology     Open Access   (Followers: 24)
Chemical Vapor Deposition     Hybrid Journal   (Followers: 5)
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: 7)
Chemistry - A European Journal     Hybrid Journal   (Followers: 163)
Chemistry - An Asian Journal     Hybrid Journal   (Followers: 16)
Chemistry and Materials Research     Open Access   (Followers: 21)
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: 254)
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   (Followers: 1)
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: 4)
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)
Communications Chemistry     Open Access  
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: 69)
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  

        1 2 3 4 | Last

Journal Cover
Canadian Journal of Chemistry
Journal Prestige (SJR): 0.29
Citation Impact (citeScore): 1
Number of Followers: 10  
 
  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]
  • This special issue is dedicated to Professor Neil Burford
    • Abstract: Canadian Journal of Chemistry, Volume 96, Issue 6, Page iii-iii, June 2018.

      Citation: Canadian Journal of Chemistry
      PubDate: 2018-05-29T10:01:26Z
      DOI: 10.1139/cjc-2018-0189
       
  • Introduction
    • Authors: Paul J. Ragogna
      Abstract: Canadian Journal of Chemistry, Volume 96, Issue 6, Page v-v, June 2018.

      Citation: Canadian Journal of Chemistry
      PubDate: 2018-05-29T07:00:00Z
      DOI: 10.1139/cjc-2018-0197
       
  • Stand-off deep-UV Raman spectroscopy
    • Authors: Bradley R. Arnold, Christopher E. Cooper, Michael R. Matrona, Darren K. Emge, Jeffrey B. Oleske
      Pages: 1 - 7
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      UV Raman spectra were measured using a novel experimental configuration. This configuration allows many of the difficulties associated with UV excitation and high-power pulsed laser sources to be mitigated. Large sample areas are imaged into the detection system allowing high power excitation sources to be used while simultaneously avoiding sample degradation and multi-photon absorption effects. Such large detection areas allow large numbers of molecular scatters to be probed even with minimal penetration depth. Alignment issues between sample and collection optics are also simplified. Several common solvents were studied using 213 nm light and their spectra reported.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-06-05T12:15:46Z
      DOI: 10.1139/cjc-2017-0678
       
  • Progress toward an amplifiable metabolic label for DNA: conversion of
           4-thiothymidine (4sT) to 5-methyl-2′-deoxycytidine and synthesis of a
           4sT phosphorodiamidate prodrug
    • Authors: Adam K. Hedger, Marlies E. Oomen, Victor Liu, Michael P. Moazami, Nicholas Rhind, Job Dekker, Jonathan K. Watts
      Pages: 1 - 10
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      The ability to metabolically label DNA in a way that produces a latent change from one nucleobase to another would create a signal that can be amplified by PCR — this in turn would allow studies of newly synthesized DNA using high-throughput sequencing. To function as an amplifiable metabolic label, a nucleotide analogue would need to be taken up by cells and incorporated into cellular DNA; after purification of DNA, it could be converted into a different nucleobase with a different base pairing pattern. We selected 4-thiothymidine (4sT) as a candidate metabolic label: 4sT is readily taken up by a large number of polymerases in vitro, and we present a method that allows 4sT to be converted into 5-methyl-2′-deoxycytidine (5mC) after incorporation into DNA. Encouraged by these results, we treated cells with 4sT nucleoside; however, we found that 4sT is not incorporated into DNA in bacterial, yeast, or mammalian cells to useful levels under the conditions we tested. A phosphorodiamidate prodrug of 4sTMP was successfully synthesized but did not measurably improve incorporation into cellular DNA.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-06-04T11:50:26Z
      DOI: 10.1139/cjc-2017-0732
       
  • Serotonin as a drug receptor for Li+: a computational study
    • Authors: Autumn R. Meek, Alexander Morzycki, Michael D. Carter, Christopher Barden, Donald F. Weaver
      Pages: 1 - 9
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Although Li+ is widely used to treat bipolar disorder, its antidepressant pharmacological mechanism of action remains unelucidated. Herein, based on molecular modelling studies, we present the novel hypothesis that one possible receptor for Li+ is serotonin (5-hydroxytryptamine, 5-HT), a small molecule neurotransmitter rather than a large macromolecular protein. The resulting Li+/5-HT drug–receptor complex subsequently interacts with “upstream” macromolecular receptors such as the 5-HT1A receptor differently than 5-HT alone, producing an enhanced antidepressant effect. The notion that a neurotransmitter could itself be a receptor for a therapeutic is an interesting receptor cascade concept. Using molecular mechanics and semi-empirical and ab initio levels of theory, the potential interactions between Li+ and 5-HT and between Li+ and 5-HIAA (5-hydroxyindoleacetic acid, a 5-HT metabolite) were examined. Molecular dynamics simulations were then used to examine how Li+ affects the binding of 5-HT to its target 5-HT1A antidepressant receptor. The results of these calculations suggest that Li+ can interact with 5-HT and in such a way that it modifies the ligand–protein interactions.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-05-28T07:00:00Z
      DOI: 10.1139/cjc-2017-0665
       
  • The polarity sensitivity factor of some fluorescent probe molecules used
           for studying supramolecular systems and other heterogeneous environments
    • Authors: Brian D. Wagner, Amy E. Arnold, Spencer T. Gallant, Carmen R. Grinton, Julia K. Locke, Natasha D. Mills, Carrie A. Snow, Timara B. Uhlig, Christen N. Vessey
      Pages: 1 - 7
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Fluorescence spectroscopy provides an excellent technique for investigating heterogeneous systems, due to its high sensitivity and the large effect of the local environment on molecular emission. In addition, the use of polarity-sensitive fluorescent probes as guests in supramolecular host–guest inclusion complexes can be exploited in fluorescent sensors. This paper identifies, tabulates, and quantifies a series of useful polarity-sensitive fluorescent probes, with a wide range of polarity-dependent fluorescence responses. The degree of polarity sensitivity is quantified using the polarity sensitivity factor (PSF), developed in our laboratory. In most cases, such polarity-sensitive probes show increased emission as the local polarity is decreased (PSF> 1); 10 such probes are described. However, less commonly, “reverse polarity dependence” can occur in which probe emission decreases with decreasing polarity (PSF < 1); four such probes are described. The mechanism for the observed polarity-induced fluorescence changes will also be discussed in selected representative cases. The purpose of this paper is to present details on a broad arsenal of polarity-sensitive fluorescence probes with varying properties, with potentially useful applications in the study of heterogeneous systems, including inclusion phenomena, and in practical applications such as fluorescent sensors, which will be useful to researchers studying supramolecular and other heterogeneous systems using fluorescence spectroscopy.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-05-28T07:00:00Z
      DOI: 10.1139/cjc-2017-0727
       
  • The structure and bonding properties of tiopronin-protected silver
           nanoparticles as studied by X-ray absorption spectroscopy
    • Authors: J. Daniel Padmos, David J. Morris, Peng Zhang
      Pages: 1 - 6
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Thiolate-protected Ag nanoparticles (NPs) exhibit interesting physical and chemical properties which may lead to various sensing, diagnostic, and therapeutic applications. Further, understanding structure–property relationships of Ag NPs is of great interest to optimize their application. Herein, we used TEM, UV–vis, and a series of synchrotron X-ray spectroscopy techniques to probe the local structure and chemical bonding properties of thiolate-stabilized Ag NPs. Compared with other Ag nanostructures prepared under slightly modified conditions, the Ag NPs were found to have pronounced structural changes, which led to immensely different optical properties. Notably, the NPs were also found to have similar surface structure to recently elucidated Ag nanoclusters prepared with different thiolates. These findings suggest that the NP structure and optical properties can be sensitively tailored by controlling the synthetic conditions. The multi-element, multi-core excitation approach (i.e., Ag K-, Ag L3-, and S K-edges) employed in the X-ray absorption spectroscopy measurements was also demonstrated as an effective tool to uncover the NP structure from both the metal core and the ligand shell perspectives.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-05-23T07:00:00Z
      DOI: 10.1139/cjc-2017-0674
       
  • Visible-light degradation of Orange II using an Fe(II)–terpyridine
           complex grafted onto TiO2 surface
    • Authors: Benjamin Stewart, Peipei Huang, He He, Thomas Fenton, Gonghu Li
      Pages: 1 - 6
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      The photo-Fenton process employs light, iron species, and H2O2 to oxidize organic pollutants. In this study, a coordination complex, Fe(II)–terpyridine, was covalently grafted onto TiO2 surfaces via a light-harvesting linkage for use in the photo-Fenton reaction. The surface Fe(II)–terpyridine complex was characterized with techniques, including microscopy and spectroscopy, and was investigated in the degradation of Orange II in the presence of H2O2. Under visible-light irradiation, slightly higher activity was obtained using the surface Fe(II)–terpyridine catalyst than using photoactivated TiO2 nanoparticles under UV light. Furthermore, the Fe(II)–terpyridine complex grafted on TiO2 showed significantly greater activity than the same complex grafted on ZrO2 in the degradation of Orange II. A possible explanation for this observation was discussed that involves the formation of high valent oxoiron species on TiO2 in the photo-Fenton process.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-05-22T07:00:00Z
      DOI: 10.1139/cjc-2017-0509
       
  • Implications of measurement error structure on the visualization of
           multivariate chemical data: hazards and alternatives
    • Authors: Peter D. Wentzell, Chelsi C. Wicks, Jez W.B. Braga, Liz F. Soares, Tereza C.M. Pastore, Vera T.R. Coradin, Fabrice Davrieux
      Pages: 1 - 11
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      The analysis of multivariate chemical data is commonplace in fields ranging from metabolomics to forensic classification. Many of these studies rely on exploratory visualization methods that represent the multidimensional data in spaces of lower dimensionality, such as hierarchical cluster analysis (HCA) or principal components analysis (PCA). However, such methods rely on assumptions of independent measurement errors with uniform variance and can fail to reveal important information when these assumptions are violated, as they often are for chemical data. This work demonstrates how two alternative methods, maximum likelihood principal components analysis (MLPCA) and projection pursuit analysis (PPA), can reveal chemical information hidden from more traditional techniques. Experimental data to compare different methods consists of near-infrared (NIR) reflectance spectra from 108 samples of wood that are derived from four different species of Brazilian trees. The measurement error characteristics of the spectra are examined and it is shown that, by incorporating measurement error information into the data analysis (through MLPCA) or using alternative projection criteria (i.e., PPA), samples can be separated by species. These techniques are proposed as powerful tools for multivariate data analysis in chemistry.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-05-22T07:00:00Z
      DOI: 10.1139/cjc-2017-0730
       
  • Physicochemical, catalytic, and antimicrobial activities of porous cobalt
           oxide nanoparticles (kinetics study of H2O2 decomposition using
           fluorometric and gasometric methods)
    • Authors: Marwa M. Ibrahim, Sahar A. El-Molla
      Pages: 1 - 7
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Co3O4 nanomaterials were prepared by different methods. The samples were nominated as Co3O4 (Pr), Co3O4 (Co), and Co3O4 (Hy) due to preparation by precipitation, combustion, and a hydrothermal method, respectively. These nanomaterials were characterized by studying their structural, morphological, and surface properties. The catalytic activity was evaluated by following H2O2 decomposition through fluorometric and gasometric methods. The obtained results showed that the catalytic efficiency of the catalysts was affected by their preparation methods. The order of catalytic activities of the investigated samples using fluorometric method is compatible with that obtained by gasometric method. Co3O4 (Hy) exhibited much higher catalytic activity due to the high surface area, small particle size, different oxidation states, different shapes, and the high production of hydroxyl radical. The antimicrobial activity is studied against standard bacterial and fungal strains, and the studies showed that the hydrothermal method enhanced antimicrobial activity more than other preparation methods.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-05-14T07:00:00Z
      DOI: 10.1139/cjc-2017-0680
       
  • Synthesis of a simply modified electrochemical nicotine sensor based on
           silver nanoparticles
    • Authors: M.A. Ameer, A.M. Fekry, S.M. Azab, M. Shehata
      Pages: 1 - 7
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      An innovative electrochemical nicotine modified sensor was created by chemically mixing a carbon paste with silver nano powder to prepare an Ag nanoparticle modified carbon paste electrode. Different electrochemical techniques including cyclic voltammetry, linear sweep voltammetry, and electrochemical impedance spectroscopy in both aqueous and micellar media were used. The surface morphology was also detected using scanning electron microscope and energy dispersive X-ray analysis techniques. Nicotine measurements were investigated in Britton–Robinson buffer solutions with a pH range of 2.0–8.0 containing 1.0 mmol/L sodium dodecyl sulfate. The electrode-based NIC sensor exhibited a high sensitivity in quantitative analysis, and its detection limit could be as low as 0.0036 μmol/L with linearity ranging from 0.8 μmol/L to 800 μmol/L. In addition, due to its good reproducibility, anti-interference performance, and long-term stability, the proposed sensor is capable of detecting trace levels of nicotine in urine samples and different brands of commercial cigarettes.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-05-08T07:00:00Z
      DOI: 10.1139/cjc-2017-0492
       
  • Conversion of Symphytum officinale and Panicum virgatum plant extracts to
           5-hydroxymethylfurfural catalysed by metal chlorides in ionic liquids
    • Authors: Alexandrine L. Martel, Sabine Montaut, Gerardo Ulíbarri, Graeme A. Spiers
      Pages: 1 - 6
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      The present work examined the potential for two plants grown on Canadian soil, Symphytum officinale L. (common comfrey) and Panicum virgatum L. (switchgrass), to produce 5-hydroxymethylfurfural using metal chloride catalysis in two ionic liquids, 1-butyl-3-methylimidazolium chloride or 1-ethyl-3-methylimidazolium chloride. Furthermore, two pre-treatments, namely the dilute sulfuric acid treatment and the methanol extraction, were studied as a way to improve sugar availability and increase 5-hydroxymethylfurfural yields compared with untreated biomass. The 0.5 mol/L H2SO4 hydrolysis under autoclave conditions produced sugar-rich extracts containing 230 ± 23 mg of sugars per gram of hydrolysed biomass for comfrey and 425 ± 13 mg of sugars per gram of hydrolysed biomass for switchgrass. The methanol extraction produced extracts high in simple sugars with concentration of 300 ± 60 mg of sugars per gram of dry extract for comfrey and 202 ± 16 mg of sugars per gram of dry extract for switchgrass. The yield of 5-hydroxymethylfurfural was improved from less than 1% using untreated biomass to 6.04% and 18.0% using dry methanol extracts of comfrey and switchgrass, respectively. These yields, although small, are important, as they show for the first time that a methanol extract could enhance the metal chloride catalysis in ionic liquids for 5-hydroxymethylfurfural production from biomass.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-05-07T07:00:00Z
      DOI: 10.1139/cjc-2017-0663
       
  • A novel MS3 experiment for quantifying ions with a linear ion trap
    • Authors: J. Larry Campbell, Bruce A. Collings, J.C. Yves Le Blanc, James W. Hager
      Pages: 1 - 11
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Liquid chromatography coupled with tandem mass spectrometry has long been employed for the quantitation of molecules. With judicious selection of precursor and fragment ions, multiple-reaction monitoring assays can be developed rapidly for these experiments. However, there are cases where analyses struggle due to high background signals caused by matrix effects that interfere with the analytical signal. An alternative to MRMs involves using two stages of tandem mass spectrometry — an MS3 experiment. Although this technique can provide greater selectivity than MS/MS experiments, cycle times for MS3 experiments are typically longer than MRM-type experiments. Here, we present a quantitation technique employing an MS3 method with shorter cycle times than traditional linear ion trap MS3 scans. Termed “scan-free” MS3, this technique performs “mass analysis” by isolating the ions of interest in the linear ion trap and then emptying the trap of these ions. The signal will be due only to those preselected ions, resulting in an MS3 experiment with up to a ∼35% reduction in cycle times relative to standard MS3 experiments without loss of sensitivity. We compare the analytical performance of this method with MRMs, as well as standard MS3 experiments, finding equivalent or better performance from the scan-free MS3 method.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-05-07T07:00:00Z
      DOI: 10.1139/cjc-2017-0734
       
  • Probing the effect of donor-fragment substitution in Mor-DalPhos on
           palladium-catalyzed C–N and C–C cross-coupling reactivity
    • Authors: Sarah M. Crawford, Craig A. Wheaton, Vinayak Mishra, Mark Stradiotto
      Pages: 1 - 9
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      The competitive catalytic screening of 18 known and newly prepared Mor-DalPhos ligand variants in the palladium-catalyzed cross-coupling of chlorobenzene with aniline, octylamine, morpholine, indole, ammonia, or acetone is presented, including ligands derived from the new secondary phosphine HP(Me2Ad)2 (Me2Ad = 3,5-dimethyladamantyl). Although triarylphosphine ancillary ligand variants performed poorly in these test reactions, ligands featuring either PAd2 or P(Me2Ad)2 donors (Ad = 1-adamantyl) gave rise to superior catalytic performance. Multiple Mor-DalPhos variants proved effective in cross-couplings involving aniline, octylamine, or morpholine; conversely, only a smaller subset of ligands proved useful in related cross-couplings of indole, ammonia, or acetone. In the case of the N-arylation of indole, a Mor-DalPhos ligand variant featuring ortho-disposed PAd2 and dimethylmorpholino donor fragments (L13) proved superior to all other ligands surveyed, including the parent ligand Mor-DalPhos (L5). Conversely, L5 was found to be superior to all other ligands in the palladium-catalyzed monoarylation of ammonia. Ligand L6 (i.e., the P(Me2Ad)2 variant of L5) proved superior to all other ligands in the monoarylation of acetone and, with the exception of indole N-arylation, was the most broadly useful of the Mor-DalPhos ligands surveyed herein.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-05-07T07:00:00Z
      DOI: 10.1139/cjc-2017-0749
       
  • Fluoride-mediated rearrangement of phenylfluorosilanes
    • Authors: Natalie L. Dean, J. Scott McIndoe
      Pages: 1 - 4
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Combining Ph3SiF and fluoride ion under conditions used for the Hiyama coupling causes rapid formation of the expected [Ph3SiF2]−; however, real-time electrospray mass spectrometric analysis reveals that phenyl-fluoride exchange occurs concomitantly, also producing substantial quantities of [PhnSiF5–n]− (n = 0–2). The exchange process is verified using 19F NMR spectroscopy. This observation may have implications for Hiyama reaction protocols, which use transmetallation from triaryldifluorosilicates as a key step in cross-coupling.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-05-04T07:00:00Z
      DOI: 10.1139/cjc-2017-0754
       
  • Computational investigations of 18-electron triatomic
           sulfur–nitrogen anions
    • Authors: Juuso Valjus, Heikki M. Tuononen, Risto S. Laitinen, Tristram Chivers
      Pages: 1 - 8
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      MRCI-SD/def2-QZVP and PBE0/def2-QZVP calculations have been employed for the analysis of geometries, stabilities, and bonding of isomers of the 18-electron anions N2S2−, NS2−, and NSO−. Isomers of the isoelectronic neutral molecules SO2, S2O, S3, and O3 are included for comparison. The sulfur-centered acyclic NSN2−, NSS−, and NSO− anions are the most stable isomers of their respective molecular compositions. However, the nitrogen-centered isomers SNS− and SNO− lie close enough in energy to their more stable counterparts to allow their occurrence. The experimental structural information, where available, is in good agreement with the optimized bond parameters. The bonding in all investigated species is qualitatively similar, though electron density analyses reveal important quantitative differences that arise from bond polarization. Most of the investigated systems can be described with a single configuration wave function, the two notable exceptions being isomers SSS and OOO that show some diradical character. The computed MRCI-SD/def2-QZVP absorption maxima for SNS− and NSS− are 342 and 327 nm, respectively. The corresponding PBE0/def2-QZVP values in acetonitrile are 353 and 333 nm. These data support the proposed initial formation of SNS− from electrochemical or chemical reduction of SSNS− based on experimental UV–vis spectra. The interconversion of SNS− and NSS− is calculated to be facile and reversible, leading to an equilibrium mixture that also includes the remarkably stable dianion SNSNSS2−. Thus, salts of either SNS− or NSS− with bulky organic cations represent feasible synthetic targets.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-05-04T07:00:00Z
      DOI: 10.1139/cjc-2018-0047
       
  • Fe(NO3)3·9H2O-catalyzed aerobic oxidative deoximation of ketoximes and
           aldoximes under mild conditions
    • Authors: Yongshu Li, Nizhou Xu, Guangyao Mei, Yun Zhao, Yiyong Zhao, Jinghui Lyu, Guofu Zhang, Chengrong Ding
      Pages: 1 - 5
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      A mild, simple process for the effective aerobic oxidative deoximation of a wide range of ketoximes and aldoximes has been developed that utilizes Fe(NO3)3·9H2O as the single catalyst and molecular oxygen as the green oxidant. The environmentally benign protocol provides moderate to excellent yield and broad functional groups tolerance and is a valuable synthetic method for practical applications. According the relevant verification experiment, a plausible mechanism has been proposed.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-04-24T07:00:00Z
      DOI: 10.1139/cjc-2017-0567
       
  • Preparation and characterization of apatite-like compound
    • Authors: Khaled Boughzala, Ali Bechrifa, Fethi Kooli, Nabil Fattah, Khaled Bouzouita
      Pages: 1 - 7
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Barium–lanthanum britholite solid solutions, Ba10-xLax(PO4)6-x(SiO4)xF2, with 0 ≤ x ≤ 6 were prepared by solid state reaction in the temperature range of 1200–1400 °C. The powders were analyzed by inductively coupled plasma atomic emission spectroscopy (ICP-AES), F-selective electrode, X-ray diffraction (XRD), and Fourier transform infrared (FTIR). In addition, the present study used thermal analysis to follow the apatite formation reaction during the heat treatment. For x ≤ 3, there is formation of a single apatite phase, whereas above this value, the La2SiO5, La2Si2O7, BaSi2O5, and Ba2La2O5 secondary phases were observed. The variation of the lattice parameters of the apatite phase as a function of x confirmed that the solid solution is discontinuous to either side of x = 3.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-04-19T07:00:00Z
      DOI: 10.1139/cjc-2017-0459
       
  • A rapid and sensitive IC-ICP-MS method for determining selenium speciation
           in natural waters
    • Authors: Mark W. Donner, Tariq Siddique
      Pages: 1 - 8
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Selenium (Se) is an element monitored by water quality agencies worldwide. The challenge of assessing its presence in aquatic systems is its low concentrations (parts per trillion) and the need for determining its chemical speciation. A method was developed using an ion chromatograph (IC) paired with a quadrupole inductively coupled plasma mass spectrometer (ICP-MS) equipped with a hydrogen reaction cell to provide analysts with a rapid and sensitive method to measure Se speciation with suitable accuracy and precision. The Se species selenite (SeIV) and selenate (SeVI) were separated within a 5 min span using dilute nitric acid as a mobile phase in a step-wise gradient (50–400 mmol L−1) and quantified using 80Se isotope that yielded low limits of detection (
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-04-10T07:00:00Z
      DOI: 10.1139/cjc-2017-0637
       
  • Exosomal proteomic analysis reveals changes in the urinary proteome of
           rats with unilateral ureteral obstruction
    • Authors: Dennis J. Orton, Alan A. Doucette, Weei-Yuarn Huang, Dawn L. MacLellan
      Pages: 1 - 8
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Congenital urinary tract obstruction (UTO) is a commonly noted disorder with the potential to cause permanent loss of renal function. Due to the possibility of spontaneous resolution, postnatal management strategies require lengthy and invasive surveillance methods to monitor the status of renal function and severity of obstruction. Here, a quantitative proteome analysis of urinary exosomes from weanling rats with surgically introduced UTO identifies a number of candidate biomarkers with the potential to improve diagnostic and prognostic methods for this disease. Using gel-assisted digestion coupled to liquid chromatography/tandem mass spectrometry (LC–MS/MS), 318 proteins were identified. Relative protein quantitation by spectral counting showed 190 proteins with significant changes in abundance due to either partial or complete obstruction. Numerous proteins identified here have been shown to be similarly altered in abundance in other renal diseases that cause tubule apoptosis and interstitial fibrosis. Extrapolating the role of the proteins showing quantifiable changes in abundance here from other forms of renal disease suggests they have potential for clinical applicability as biomarkers of congenital UTO. Included in the list of identified proteins are markers of apoptosis, oxidative stress, fibrosis, inflammation, and tubular cell damage, which are commonly associated with UTO. This study therefore provides a number of candidate biomarkers that, following validation in children experiencing UTO, have the potential to improve postnatal management of this disease.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-04-09T07:00:00Z
      DOI: 10.1139/cjc-2017-0681
       
  • Regioselective substituent effects upon the synthesis of dipyrrins from
           2-formyl pyrroles
    • Authors: Michael H.R. Beh, Carlotta Figliola, Kate-Lyn A.R. Lund, Aleksandra K. Kajetanowicz, Ann E. Johnsen, Elise M. Aronitz, Alison Thompson
      Pages: 1 - 6
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      The synthesis of symmetric α-free meso-H-dipyrrin hydrobromides from 5-H-2-formyl pyrroles was investigated. The self-condensation produces regioisomeric dipyrrins through adoption of two mechanistic pathways. The key difference between the two pathways lies in which position of the pyrrole directs nucleophilic attack. Through a systematic study involving various substituted and (or) isotopically labelled 5-H-2-formyl pyrroles, we herein provide evidence to suggest that not only do two mechanistic pathways exist, but the steric bulk of the substituent adjacent to the 5-unsubstituted position influences which pathway dominates.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-03-26T07:00:00Z
      DOI: 10.1139/cjc-2017-0662
       
  • Synthesis and structural characterization of new polyether complexes of
           germanium(II) and tin(II)
    • Authors: Alina M. Secara, Justin F. Binder, Ala’aeddeen Swidan, Charles L.B. Macdonald
      Pages: 1 - 8
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      A series of germanium(II) and tin(II) bromide polyether complexes have been synthesized. Specifically, [GeBr([15]crown-5)][GeBr3], [GeBr([18]crown-6)][GeBr3], [GeBr(triglyme)][GeBr3], [GeBr(tetraglyme)][GeBr3], [SnBr([18]crown-6)][SnBr3], [Sn([15]crown-5)2][SnBr3]2, [SnBr(triglyme)][SnBr3], and [SnBr(tetraglyme)][SnBr3] have been fully characterized including by single crystal X-ray diffraction. The synthesis of [GeBr(dibenzo[24]crown-8)][GeBr3] and [GeCl(dibenzo[24]crown-8)][GeCl3] are also reported, along with the crystal structure of the latter’s water adduct, which features a water molecule adjacent to the GeCl+ ion within the cavity of the crown ether.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-03-22T07:00:00Z
      DOI: 10.1139/cjc-2017-0763
       
  • On the reactivity of P-chloro dithieno[3,2-b:2′,3′-d]phosphole
           oxide
    • Authors: Zisu Wang, Denis Spasyuk, Thomas Baumgartner
      Pages: 1 - 6
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      The P-functionalization of dithieno[3,2-b:2′,3′-d]phosphole oxides via reaction of a P-chloro derivative with aromatic amines and alcohols is reported. The reactions proceed rapidly and provide the products in good yields, highlighting the synthetic versatility of the P-chloro dithienophosphole oxide toward effectively modifying the molecular scaffold without the need for elaborate phosphorus precursor syntheses. The resulting phosphinic amide and ester products show interesting photophysics that strongly depend on the nature of the P-substituent such as high luminescence quantum yields for the ester derivatives, as well as aggregation-induced enhanced emission for the amide derivative. The phosphinic amide species also shows intriguing self-assembly in the solid state via hydrogen bonding.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-03-22T07:00:00Z
      DOI: 10.1139/cjc-2017-0619
       
  • Resolving the effects of compositional change on structures in Cu2ZnSnS4
           nanocrystals by X-ray absorption fine structure
    • Authors: Matthew J. Turnbull, Saghar Khoshmashrab, Yun Mui Yiu, Zhifeng Ding
      Pages: 1 - 10
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Renewable energy sources, and solar energy in particular, are a high impact research topic in the push for sustainable, long-term energy alternatives to fossil fuels. Cu2ZnSnS4 (CZTS) is one of the attractive, cost-effective materials that meets these needs. The quaternary nature makes the structure prone to defects and crystal alignment disorder. Some of these defects create advantageous electronic effects through antisite substitutions of Zn for Cu, [math]. Others such as Sn for Zn replacements are detrimental. Synchrotron-based X-ray absorbance fine structure (XAFS) analysis was used to identify specific patterns in the antisite contributions to the structure of low-cost CZTS films that produced the highest photoresponse in each of our samples. Correlations were found between the Cu/(Zn + Sn) ratio and advantageous antisite formations, though at the cost of increased alignment disorder. Similarly, the Zn/Sn ratio showed relationships between both advantageous and disadvantageous antisite and vacancy pairs. Variations in the local surroundings for each metal center were confirmed through X-ray absorption near-edge structures (XANES). Extended X-ray absorption fine structures (EXAFS), verified through FEFF fitting of the EXAFS, confirmed the patterns in crystal alignment disorder, and the effects each antisite had on the overall crystal structure. The precision and unique nature of such synchrotron techniques offers opportunities to identify these trends at each metal center, providing guidance to balance negative and positive structural components during fabrication. Each minor change in stoichiometry has been shown to affect several interactions within the structure.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-03-21T07:00:00Z
      DOI: 10.1139/cjc-2017-0697
       
  • A twist on Hellwinkel’s salt,
           [P(2,2′-biphenyl)2]+[P(2,2′-biphenyl)3]–
    • Authors: Khatera Hazin, Derek P. Gates
      Pages: 1 - 8
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Treating PCl5 with C12H8Li2, generated from either C12H10, C12H8Br2, or C12H8I2, affords three products in different ratios depending on the source of the lithiated biphenyl. Hellwinkel’s salt [P(C12H8)2][P(C12H8)3] ([1][2]) and another product [P(C12H8)(C24H16)][P(C12H8)3] ([1′][2]) were obtained by reacting PCl5 with 2,2′-dilithiobiphenyl [Route A: 2.5 equiv.; obtained from biphenyl, n-BuLi, and TMEDA; Route B: 3.0 equiv.; obtained from 2,2′-diiodobiphenyl and n-BuLi; Route C: 4.0 equiv.; obtained from 2,2′-dibromobiphenyl and n-BuLi]. The synthesis, isolation, and characterization of the chiral spiro-compound [1′][2] and the characterization of the pentavalent phosphorane [P(C12H8)2(C12H9)] (3) are reported. The complex [1′][2] was characterized by 31P{1H} NMR spectroscopy, X-ray crystallography, and mass spectrometry. The pentavalent compound (3) was characterized by 31P{1H} NMR spectroscopy and X-ray crystallography.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-03-15T07:00:00Z
      DOI: 10.1139/cjc-2017-0648
       
  • Synthesis, structural characterization, and reactivity of
           (thiolato)bismuth complexes as potential water-tolerant Lewis acid
           catalysts
    • Authors: Glen G. Briand, Andreas Decken, Whitney E.M.M. Shannon, Eric E. Trevors
      Pages: 1 - 9
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      We have synthesized bismuth complexes incorporating polydentate mono- and di-thiolate ligands and examined their utility as water-tolerant Lewis acid catalysts. The reaction of Bi(OAc)3 or Bi(NO3)3·5H2O and the corresponding mono- or di-thiol(ate) yielded the compounds [(SNNS)Bi(OAc)] (4), [(SNNSPr)Bi(OAc)] (5), [(NNS2)Bi(OAc)] (6), [(ONS2)Bi(OAc)] (7), [(ONS2)Bi(NO3)] (8), and [(NNS)2Bi][NO3] (9) [H2(SNNS) = N,N′-dimethyl-N,N′-bis(2-mercaptoethyl)ethylenediamine; H2(SNNSPr) = N,N′-diethyl-N,N′-bis(2-mercaptoethyl)propanediamine; H2(NNS2) = N,N-diethyl-N′,N′-bis(2-mercaptoethyl)ethanediamine; H2(ONS2) = 2-methoxyethyl-bis(2-mercaptoethyl)amine; H(NNS) = N,N-diethyl-N′-(2-mercaptoethyl)ethanediamine]. The solid-state structures of 4–8 show similar distorted pentagonal pyramidal geometries at the bismuth centre with a thiolate sulfur atom in the axial site, whereas 8 shows second structural arrangement with a distorted trigonal bipyramidal geometry at bismuth. The cation of 9 shows two NNS-bonded ligands and a distorted octahedral geometry at bismuth. Two-dimensional NMR studies of 4–8 show geminal 1H coupling in –SCH2CH2N– groups and suggests strong dative Bi–N intramolecular interactions. Bi(NO3)3·5H2O and BiCl3 show high activity toward the esterification of stearic acid, Bi(NO3)3·5H2O, and 4–7 and 9 show high activity toward the transesterification of methyl stearate in butanol, and 7 shows moderate activity as a catalyst for the transesterification of glyceryl trioctanoate in methanol.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-03-09T08:00:00Z
      DOI: 10.1139/cjc-2017-0640
       
  • Isolation of a post-PKS C–C branching jadomycin from S. venezuelae
           ISP5230 in the presence of 8-aminooctanoic acid
    • Authors: Jeanna M. MacLeod, Stephanie M. Forget, Camilo F. Martinez-Farina, David L. Jakeman
      Pages: 1 - 5
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      The jadomycin family of natural products was first identified and characterized by Vining and co-workers at Dalhousie University in the 1990s. Herein, we report findings from a recently developed co-amino acid supplementation culture method with S. venezuelae ISP5230 using 8-aminooctanoic acid, where the major natural product was a jadomycin variant omitting an E-ring (1). These results reinforce that the 3a position is susceptible to nucleophilic addition by cellular metabolites in jadomycin biosynthesis when intramolecular cyclization is unfavorable. Further, the cytotoxicity data for several unsubstituted E-ring jadomycins are reported and discussed.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-03-08T08:00:00Z
      DOI: 10.1139/cjc-2017-0572
       
  • The expansive library of jadomycins
    • Authors: Jeanna M. MacLeod, Stephanie M. Forget, David L. Jakeman
      Pages: 1 - 7
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      The jadomycin family of natural products was discovered from Streptomyces venezuelae ISP5230 in the 1990s. Subsequent identification of the biosynthetic gene cluster along with synthetic efforts established that incorporation of an amino acid into the polyaromatic angucycline core occurs non-enzymatically. Over two decades, the precursor-directed biosynthetic potential of the jadomycins has been heavily exploited, generating a library exceeding 70 compounds. This review compiles the jadomycins that have been isolated and characterized to date; these include jadomycins incorporating proteinogenic and non-proteinogenic amino acids, semi-synthetic derivatives, biosynthetic shunt products, compounds isolated in structural gene deletion studies, and deoxysugar sugar variant jadomycins produced by deletion or heterologous expression of sugar biosynthetic genes.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-03-06T08:00:00Z
      DOI: 10.1139/cjc-2017-0573
       
  • Tuning the creep rates of binary Al alloys by considering the effects of
           the stacking faults, alloying elements, and elastic moduli: a
           first-principles study
    • Authors: T. Todorova, J.W. Zwanziger
      Pages: 1 - 5
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Using first-principles calculations, the effects of intrinsic stacking faults, elastic moduli, and diffusivity on the creep rates of aluminum alloys Al–X (X = Sc, Nb, or Mo) have been investigated. The calculated stacking fault energies of dilute Al show stabilization in the case of Sc and destabilization in the case of Mo and Nb. Although all three impurities confer stiffer elastic properties, Sc appears to retain the ductility of Al but Mo and Nb push the system in the brittle regime. Also, Mo and Nb strongly increase the activation barrier to diffusion, leading to much reduced creep. The results indicate that Mo and Nb can be used in Al alloys to improve elastic properties and creep resistance but only at very low levels, before brittleness becomes an issue.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-02-26T08:00:00Z
      DOI: 10.1139/cjc-2017-0605
       
  • Inverted P3HT:PC61BM organic solar cells incorporating a π-extended
           squaraine dye with H- and (or) J-aggregation
    • Authors: Sergey V. Dayneko, Abby-Jo Payne, Gregory C. Welch
      Pages: 1 - 9
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      In this report, we investigated the impact of adding a large π-extended squaraine dye to the classic bulk heterojunction P3HT:PC61BM system. The compound, SQIQ-A, is a bis-indole squaraine dye appended with acetylene-indoloquinoxaline end-capping units that exhibits strong optical absorption in thin film from 650 to 750 nm, beyond the absorption wavelength cut-off for P3HT:PC61BM films (ca. ∼650 nm). The dye SQIQ-A can form H- or J-aggregates (blue or red shifting the optical absorption profiles) via solvent vapour annealing with CHCl3 or THF, respectively, thus providing a simple method to control the morphology and optical properties of the molecule. Ternary blended films composed of P3HT:PC61BM:SQIQ-A (1:1:0.3 mass ratio) were investigated as-cast, after solvent vapour annealing, and after thermal annealing. Films were characterized using optical absorption spectroscopy, X-ray diffraction, atomic force microscopy, and polarized light microscopy. Solar cells were fabricated using an inverted architecture in air and analysed using current–voltage and external quantum efficiency measurements. It was found that solar cells thermally annealed at 130 °C for 10 min gave good power conversion efficiencies of 3%, similar to the control P3HT:PC61BM but with improved fill factors and noticeable photocurrent generation from 650 to 760 nm where the SQIQ-A molecule absorbs. Exposure to solvent vapour (CHCl3 or THF) results in aggregation of all components but specifically leads to the formation of micron-sized domains, lowering the overall photovoltaic performance.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-02-15T08:00:00Z
      DOI: 10.1139/cjc-2017-0655
       
  • Using the localized pair model to describe the nature of the hydrogen bond
    • Authors: Adam J. Proud, Brendan J.H. Sheppard, Jason K. Pearson
      Pages: 1 - 8
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Herein, we present a novel study of hydrogen bonding using the localized pair model. Using localized molecular orbitals, we examine how the two localized electron pairs involved in hydrogen bonding change upon the formation of the interaction, as well as while the distance between the two species within the complex change. This is achieved through the use of extracule densities, which describe the probability associated with the centre of mass of an electron pair. Quantitative assessments are performed by analyzing the extracule density demonstrating that this method is on par with other density-based tools for the analysis of hydrogen bonds and their strengths.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-02-13T08:00:00Z
      DOI: 10.1139/cjc-2017-0677
       
  • Coordination isomerism in N-heterocyclic phosphenium thiocyanates
    • Authors: Markus Blum, Jacqueline Gebhardt, Marius Papendick, Simon H. Schlindwein, Martin Nieger, Dietrich Gudat
      Pages: 1 - 6
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Two N-heterocyclic phosphines with exocyclic SCN substituents were synthesised via metathesis of chlorophosphine precursors with KSCN and fully characterised. The crystallographic studies reveal that the products exhibit pronounced structural differences. The thiocyanato unit binds in one case via the nitrogen atom to yield a molecular structure with a slightly elongated P–N single bond and, in the other case, via the sulfur atom to form a structure that is best described as an ion pair and forms a one-dimensional coordination polymer in the crystal. DFT calculations suggest that the P–N and P…S interactions can be described as covalent and dative bonds, respectively, and that the structural differences correlate with the different cation stabilities of the individual phosphenium cation fragments.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-02-12T08:00:00Z
      DOI: 10.1139/cjc-2017-0647
       
  • Developing backbone-modified Mor-DalPhos ligand variants for use in
           palladium-catalyzed C–N and C–C cross-coupling
    • Authors: Mark A. MacLean, Craig A. Wheaton, Mark Stradiotto
      Pages: 1 - 10
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      The present contribution describes the systematic structural diversification of the κ2-P,N DalPhos ligand family in an effort to improve catalytic efficiency in the monoarylation of ammonia and acetone. The study is focused primarily on modifying the backbone phenylene linker, while retaining the same bite angle and steric bulk as the Mor-DalPhos ligand through the use of P(1-Ad)2 and morpholine donors. Eight new variants of Mor-DalPhos were prepared; two of these feature a pyridine linker (L1, L2), and five others feature either electron-donating (L3, L4) or electron-withdrawing (L5–L7) substituents on the phenylene linker. Additionally, thiomorpholino substitution (L8) was performed to investigate the effects of a possible tridentate coordination mode. Precatalyst complexes of the general formula LPd(cinnamyl)Cl were prepared and characterized in both solution and solid state. Solution studies demonstrated a significant degree of lability in the Pd–N bond, whereby dynamic behavior is seen to be dependent on the nature of the ligand backbone. The utility of these new ligands in the palladium-catalyzed monoarylation of ammonia or acetone was then surveyed. Notably, pyridine-derived ligand variants (L1, L2) were observed to out-perform parent Mor-DalPhos in the latter transformations.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-02-12T08:00:00Z
      DOI: 10.1139/cjc-2017-0671
       
  • An engineered one-site aptamer with higher sensitivity for label-free
           detection of adenosine on graphene oxide
    • Authors: Zijie Zhang, Juewen Liu
      Pages: 1 - 7
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      The 27-nucleotide DNA aptamer for adenosine and ATP, originally selected by the Szostak lab in 1995, has been a very popular model system for biosensor development. This unique aptamer has two target binding sites, and we recently showed that it is possible to remove either site while the other one still retains binding. From an analytical perspective, tuning the number of binding sites has important implications in modulating sensitivity of the resulting biosensors. In this work, we report that the engineered one-site aptamer showed excellent signaling properties with a 2.6-fold stronger signal intensity and also a 4.2-fold increased detection limit compared with the wild-type two-site aptamer. The aptamer has a hairpin structure, and the length of the hairpin stem was systematically varied for the one-site aptamers. Isothermal titration calorimetry and a label-free fluorescence signaling method with graphene oxide and SYBR Green I were respectively used to evaluate binding and sensor performance. Although longer stemmed aptamers produced better adenosine binding affinity, the signaling was quite independent of the stem length as long as more than three base pairs were left. This was explained by the higher affinity of binding to GO by the longer aptamers, cancelling out the higher affinity for adenosine binding. This work further confirms the analytical applications of such one-site adenosine aptamers, which are potentially useful for improved ATP imaging and for developing new biosensors.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-02-07T08:00:00Z
      DOI: 10.1139/cjc-2017-0601
       
  • Pyridine, thiophosphine, and selenophosphine complexes of the
           phenylphosphine dication
    • Authors: Hannah Sinclair, Riccardo Suter, Neil Burford, Robert McDonald, Michael J. Ferguson
      Pages: 1 - 5
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Compounds of the generic formula [PhPL][OTf]2 with L = bipyridine (bipy) and 4,4′-di(tert-butyl)-2,2′-bipyridine (Bbipy) and [PhPL2][OTf]2 with L = 4-dimethylaminopyridine (dmap), tricyclohexyl-thiophosphine, and tricyclohexyl-selenophosphine have been prepared by the reaction of dichlorophenylphosphine with two equivalents of trimethylsilyl triflate and the respective ligand. The new complexes of the phenylphosphine dication with this variety of ligands expands the scope of coordination complexes involving phosphorus as an acceptor.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-02-01T08:00:00Z
      DOI: 10.1139/cjc-2017-0596
       
  • Gold nanoparticle-functionalized niobium oxide perovskites as
           photocatalysts for visible light-induced aromatic alcohol oxidations
    • Authors: Melissa Chassé, Geniece L. Hallett-Tapley
      Pages: 1 - 8
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Spherical gold nanoparticles have been supported onto the surface of potassium niobium oxide perovskites, an underdeveloped class of semiconductor in photocatalytic organic transformations. The nanoparticle dopants of 9.5 nm in diameter and surface plasmon absorption at 530 nm are examined as possible visible light induced catalysts using alcohol photooxidation as the probe reaction. The nanomaterial-induced photooxidation of a series of aromatic alcohols is examined, in the absence of solvent, as a function of base, H2O2, and catalyst concentrations, as well as using multiple visible light sources. This experimental methodology affords extremely selective photooxidation to the carbonyl products (>99%) in as little as 2 h. Using the results obtained from the substitution of the aromatic alcohol, the proposed photocatalytic mechanism is suggested to rely heavily on plasmon-initiated electron transfer from the gold nanoparticle surface to the potassium niobium oxide perovskite and subsequent reductive decomposition of H2O2. This photodegradation step is proposed to favor the formation of ketyl radical species, a key intermediate in the visible light induced mechanism that undergoes both an electron and proton transfer to facilitate formation of the final, carbonyl products. Furthermore, the gold nanoparticle – potassium niobium oxide catalyst exhibits moderate reusability, highly desired in the realm of heterogeneous catalysis.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-02-01T08:00:00Z
      DOI: 10.1139/cjc-2017-0673
       
  • An unexpected Staudinger reaction at an N-heterocyclic carbene-carbon
           center
    • Authors: Matthew M.D. Roy, Linkun Miao, Michael J. Ferguson, Robert McDonald, Eric Rivard
      Pages: 1 - 6
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      The previously unreported carbene-phosphine adduct (IPr)PCl2N3 [IPr = (HCNDipp)2C:; Dipp = 2,6-iPr2C6H3] was synthesized and used as a synthon toward the elusive dichlorophosphazene monomer unit, [Cl2P=N]. (IPr)PCl2N3 was found to undergo halide and azide abstraction when combined with various electrophiles and its thermolysis yielded the unexpected Staudinger reaction product (IPr=N)PCl2.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-01-31T08:00:00Z
      DOI: 10.1139/cjc-2017-0607
       
  • The effect of electronic excitation on London dispersion
    • Authors: Xibo Feng, Alberto Otero-de-la-Roza, Erin R. Johnson
      Pages: 1 - 8
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Atomic and molecular dispersion coefficients can now be calculated routinely using density-functional theory. In this work, we present the first determination of how electronic excitation affects molecular C6 London dispersion coefficients from the exchange-hole dipole moment (XDM) dispersion model. Excited states are typically found to have larger dispersion coefficients than the corresponding ground states, due to their more diffuse electron densities. A particular focus is both intramolecular and intermolecular charge-transfer excitations, which have high absorbance intensities and are important in organic dyes, light-emitting diodes, and photovoltaics. In these classes of molecules, the increase in C6 for the electron-accepting moiety is largely offset by a decrease in C6 for the electron-donating moiety. As a result, the change in dispersion energy for a chromophore interacting with neighbouring molecules in the condensed phase is minimal.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-01-31T08:00:00Z
      DOI: 10.1139/cjc-2017-0726
       
  • Sintered polymeric binders for Li-ion battery alloy anodes
    • Authors: T.D. Hatchard, R.A. Fielden, M.N. Obrovac
      Pages: 1 - 6
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      The cycling performance in lithium half cells of Si alloy electrodes with polyvinylidene fluoride or polyimide binders were evaluated after the electrodes were cured at temperatures below and above the binder carbonization temperature. After carbonization, the cycling performance of electrodes using polyvinylidene fluoride binder improved considerably but still suffered from capacity fade. Electrodes with carbonized polyimide binder had superior performance and showed no capacity fade after 100 cycles. The superior performance of carbonized polyimide electrodes is thought to be related to polyimide’s high carbon yield upon heating, resulting in the formation of a uniform carbon coating on alloy surfaces. These results suggest that new high performance binders for alloy electrodes might be derived by the carbonization of polymers with a high carbon yield that lead to the formation of uniform carbon coatings on alloy particles.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-01-31T08:00:00Z
      DOI: 10.1139/cjc-2017-0728
       
  • Decarboxylative arylation of substituted pyrroles N-protected with
           2-(trimethylsilyl)ethoxymethyl (SEM)
    • Authors: Carlotta Figliola, Sarah M. Greening, Connor Lamont, Brandon R. Groves, Alison Thompson
      Pages: 1 - 9
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Palladium-catalyzed decarboxylative arylation is reported using pyrroles N-protected with the 2-(trimethylsilyl)ethoxymethyl (SEM) group and featuring 2-, 3-, and 4-substituents about the pyrrolic framework. In contrast to N-protected pyrroles previously used in decarboxylative arylation, the use of SEM allows deprotection under mild conditions.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-01-29T08:00:00Z
      DOI: 10.1139/cjc-2017-0402
       
  • Linear dicoordinate beryllium: a 9Be solid-state NMR study of a discrete
           zero-valent s-block beryllium complex
    • Authors: C. Leroy, J.K. Schuster, T. Schaefer, K. Müller-Buschbaum, H. Braunschweig, D.L. Bryce
      Pages: 1 - 7
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Beryllium-9 (9Be) quadrupolar coupling and chemical shift tensor data are reported for bis(1-(2,6-diisopropylphenyl)-3,3,5,5-tetramethylpyrrolidine-2-ylidene)beryllium (Be(CAAC)2). These are the first such data for beryllium in a linear dicoordinate environment. The 9Be quadrupolar coupling constant, 2.36(0.02) MHz, is the largest recorded in the solid state to date for this isotope. The span of the beryllium chemical shift tensor, 22(2) ppm, covers about half of the known 9Be chemical shift range, and the isotropic 9Be chemical shift, 32.0(0.3) ppm, is the largest reported in the solid state to our knowledge. DFT calculations reproduce the experimental data well. A natural localized molecular orbital approach has been used to explain the origins and orientation of the beryllium electric field gradient tensor. The single-crystal X-ray structure of a second polymorph of Be(CAAC)2 is also reported. Inspection of the powder X-ray diffraction data shows that the new crystal structure is part of the bulk product next to another crystalline phase. Therefore, experimental X-ray powder data for the microcrystalline powder sample and the SSNMR data do not fully match either the originally reported crystal structure (Arrowsmith et al. Nat. Chem. 2016, 8, 890–894) or the new polymorph. The ability of solid-state NMR and powder X-ray diffraction to characterize powdered samples was thus particularly useful in this work.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-01-24T08:00:00Z
      DOI: 10.1139/cjc-2017-0704
       
  • Investigation of the push–pull effects on β-functionalized zinc
           porphyrin coordinated to C60 donor–acceptor conjugates
    • Authors: Michael B. Thomas, R.G. Waruna Jindasa, Yi Hu, Benjamin Schmitz, Hong Wang, Francis D’Souza
      Pages: 1 - 9
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Two novel β-functionalized push–pull zinc porphyrins with amine or phenyl push-groups and cyclic imide or carboxylic esters pull-groups have been newly synthesized for light energy harvesting applications. The ethynylphenyl spacers extended the conjugation of the porphyrin π-systems, as reflected by their red-shifted absorbance and fluorescence spectra. Computational studies performed at the B3LYP/6-31G* level indicated no steric hindrance between the porphyrin π-system and the substituents. The calculated HOMO and LUMO orbitals displayed significant delocalization in 1, where the electron density in the HOMO was localized over the push groups, whereas the LUMO was extended over the porphyrin π- and pull-groups. On the other hand, 2 did not display significant orbital segregation, which is attributed to its weaker push–pull character. Electrochemical studies revealed smaller HOMO–LUMO gaps for the push–pull zinc porphyrins. As a consequence of the push–pull effects, reduction in fluorescence intensity and lifetime was observed. Femtosecond transient absorption spectral studies revealed successful formation of singlet excited state in both of the push–pull porphyrins. Donor–acceptor conjugates were subsequently built and characterized by coordinating an electron acceptor, C60Im, via metal–ligand axial coordination. Efficient photo-induced charge separation in both donor–acceptor conjugates was witnessed wherein the charge-separated states persisted tens of nanoseconds prior returning to the ground state.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-01-23T08:00:00Z
      DOI: 10.1139/cjc-2017-0416
       
  • Exploiting the full quantum crystallography
    • Authors: Lou Massa, Chérif F. Matta
      Pages: 1 - 7
      Abstract: Canadian Journal of Chemistry, e-First Articles.
      Quantum crystallography (QCr) is a branch of crystallography aimed at obtaining the complete quantum mechanics of a crystal given its X-ray scattering data. The fundamental value of obtaining an electron density matrix that is N-representable is that it ensures consistency with an underlying properly antisymmetrized wavefunction, a requirement of quantum mechanical validity. However, X-ray crystallography has progressed in an impressive way for decades based only upon the electron density obtained from the X-ray scattering data without the imposition of the mathematical structure of quantum mechanics. Therefore, one may perhaps ask regarding N-representability “why bother'” It is the purpose of this article to answer such a question by succinctly describing the advantage that is opened by QCr.
      Citation: Canadian Journal of Chemistry
      PubDate: 2018-01-10T08:00:00Z
      DOI: 10.1139/cjc-2017-0667
       
 
 
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