Showing papers in "Canadian Journal of Chemistry in 2015"
TL;DR: In this article, the formation of methane hydrate with different ratios of silica sand and clay and different water saturations was studied, at suitable temperature and methane gas pressure, water in the void...
Abstract: Kinetics of methane hydrate formation with different ratios of silica sand and clay and different water saturations were studied. At suitable temperature and methane gas pressure, water in the void...
79 citations
TL;DR: Topological indices are numerical parameters of a graph that characterize its topology and are usually graph invariant as mentioned in this paper, and they are used in physicochemical properties and topological indices.
Abstract: Topological indices are numerical parameters of a graph that characterize its topology and are usually graph invariant. In a QSAR/QSPR study, physicochemical properties and topological indices such...
76 citations
TL;DR: The antifreeze proteins (AFPs) have evolved to adsorb to ice crystals and have been shown to survive low temperatures using a range of physiological changes including the production of ants and ants.
Abstract: Certain organisms survive low temperatures using a range of physiological changes including the production of antifreeze proteins (AFPs), which have evolved to adsorb to ice crystals. Several of th...
68 citations
TL;DR: A numerical quantity that characterizes the whole structure of a graph is called a topological index as mentioned in this paper, and the concept of Randic (Rα), atom−bond connectivity (ABC), and geometric-arithmetic (GA) topolog...
Abstract: A numerical quantity that characterizes the whole structure of a graph is called a topological index. The concept of Randic (Rα), atom−bond connectivity (ABC), and geometric−arithmetic (GA) topolog...
61 citations
TL;DR: In this paper, the authors proposed a win-win situation in which carbon dioxide can be safely stored in hydrate form while releasing natural gas from in situ hydrates using carbon dioxide.
Abstract: Production of natural gas from hydrate using carbon dioxide allows for a win-win situation in which carbon dioxide can be safely stored in hydrate form while releasing natural gas from in situ hydr...
56 citations
TL;DR: A brief institutional history of the Department of Chemistry at the University of Western Ontario in London, Ontario, from the founding of the university in 1878 until modern times is presented in this paper.
Abstract: A brief institutional history of the Department of Chemistry at the University of Western Ontario in London, Ontario, from the founding of the university in 1878 until modern times is presented. Af...
45 citations
TL;DR: The optimized molecular structures, conformational analyses, vibrational (IR) frequencies and their assignments, maximum electronic absorption wavelengths (gas phase and in ethanol solvent), 1H and....
Abstract: The optimized molecular structures, conformational analyses, vibrational (IR) frequencies and their assignments, maximum electronic absorption wavelengths (gas phase and in ethanol solvent), 1H and...
42 citations
TL;DR: In this article, O1s XPS spectra were collected and fitted for 15 potassium silicate glasses containing 10−37 mol% K2O to resolve discrepant results between XPS and 29Si and 17O NMR techniques.
Abstract: To resolve discrepant results between O1s XPS and 29Si and 17O NMR techniques, O1s XPS spectra were collected and fitted for 15 potassium silicate glasses containing 10−37 mol% K2O. The effects of ...
38 citations
TL;DR: In this article, the authors studied the nucleation of methane hydrate from water emulsions in five different kinds of crude oil and in decane with the use of isothermal methods.
Abstract: Nucleation of methane hydrate from water emulsions in five different kinds of crude oil and in decane have been studied with the use of isothermal methods. The experiments were conducted at a temperature of –5 °C and pressure of 12 MPa. It is shown that the nucleation rates tend to decrease with the increase in the density of the organic liquid used to make the emulsion. It is most likely that the observed regularities are related to the rate of methane diffusion to water surface.
35 citations
TL;DR: The mechanistic principles of three major photophysical quenching mechanisms involving Forster resonance energy transfer, through-bond energy transfer (TBET), and photoinduced electron transfer (PeT) are reviewed and design principles for novel fluorogenic probes based on an understanding of these quench mechanisms are presented.
Abstract: Fluorescent labelling of specific proteins in complex biological systems remains an important challenge in chemical biology. One promising approach comprises the use of small molecules designed to ...
35 citations
TL;DR: In this paper, the excited state photophysical properties of 1,3,5-triarylpyrazolines 1,4 and 4 were studied in methanol and 1:1 (v/v)-water.
Abstract: The excited state photophysical properties of the 1,3,5-triarylpyrazolines 1–4 were studied in methanol and 1:1 (v/v) methanol–water, as well as 1:4 (v/v) methanol–water and water by fluorescence s...
TL;DR: In this paper, a short review summarizes the process development for the synthesis of buprenorphine, naltrexone, naloxone, and nalbuphine from naturally occurring opiates such as thebaine and oripa.
Abstract: This short review summarizes our work on the process development for the synthesis of buprenorphine, naltrexone, naloxone, and nalbuphine from naturally occurring opiates such as thebaine and oripa...
TL;DR: In this paper, a new biodegradable porous medium was employed for the hydrate-based gas separation (HBGS) process to capture carbon dioxide in a fixed bed column from a precombustion stream.
Abstract: A new biodegradable porous medium has been employed in this work for the hydrate-based gas separation (HBGS) process to capture carbon dioxide in a fixed bed column from a precombustion stream. Pro...
TL;DR: In this article, the nucleation and crystal growth of gas hydrates near mineral surfaces and in confinement are analyzed for methane recovery from gas hydrate reservoirs, through mole-based methods.
Abstract: Understanding the nucleation and crystal growth of gas hydrates near mineral surfaces and in confinement are critical to the methane recovery from gas hydrate reservoirs. In this work, through mole...
TL;DR: In this paper, the authors describe the synthesis and application of a novel magnetic metal-organic framework (MOF) [Fe3O4-2,5-dimercapto-1,3,4-thiadiazole)/Cu3(benzene-1.3, 5-tricarboxylate)2] to preconcentrate t...
Abstract: This work describes the synthesis and application of a novel magnetic metal-organic framework (MOF) [(Fe3O4-2,5-dimercapto-1,3,4-thiadiazole)/Cu3(benzene-1,3,5-tricarboxylate)2] to preconcentrate t...
TL;DR: Three-component thermochromic mixtures generally consist of a leuco dye, a phenolic colour developer, and a high-melting organic solvent as mentioned in this paper, and their colouring behavi...
Abstract: Three-component thermochromic mixtures generally consist of a leuco dye, a phenolic colour developer, and a high-melting organic solvent (listed in order of increasing mass). Their colouring behavi...
TL;DR: In this article, the effect of pH, DNA length, and DNA length on the photostability of fluorescent gold nanoclusters has been examined and compared with the silver counterpart.
Abstract: DNA-templated fluorescent gold nanoclusters (AuNCs) have been recently prepared showing higher photostability than the silver counterpart. In this work, we examined the effect of pH, DNA length, DN...
TL;DR: In this paper, a rationalization of the bonding in triphenylene complexes has been provided for all of the low-energy isomers of half-sandwich L3M(Tphn) structures.
Abstract: Full geometry optimization using the BP86 and B3LYP methods has been carried out for all of the low-energy isomers of half-sandwich L3M(Tphn) (Tphn = triphenylene, M = Ti–Ni, and L3 = (CO)3, Cp–) and sandwich M(Tphn)2 (Tphn = triphenylene and M = Ti, Cr, Fe, Ni) structures. Depending on the electron richness of the molecule and the nature of the metal, a complete rationalization of the bonding in triphenylene complexes has been provided. The triphenylene adopts various hapticities from η2 to η6, some of them involving full or partial coordination of the C6 ring and shown to be quite flexible with respect to the ground spin state. The triphenylene behavior remains dependent on the electron-withdrawing and electron-donor properties of the (CO)3M and CpM fragments, respectively. For the sandwich complexes, both triphenylene ligands prefer to behave differently depending on the coordination mode to satisfy the metal electron demand.
TL;DR: The development of polymeric and oligomeric chemical additives that can control the nucleation and growth of gas hydrates remains a topic of major research interest, with important implications for... as discussed by the authors.
Abstract: The development of polymeric and oligomeric chemical additives that can control the nucleation and growth of gas hydrates remains a topic of major research interest, with important implications for...
TL;DR: In this paper, the authors reported the direct preparation of graphene-based films using magnetron sputtering of graphite target and the nanomaterial was deposited at a low temperature of 620 °C on silicon wafers.
Abstract: This study reports the direct preparation of graphene-based films using magnetron sputtering of graphite target. The nanomaterial was deposited at a low temperature of 620 °C on silicon wafers and ...
TL;DR: The ionic clathrate hydrate of tetra-n-butylammonium (TBA) acrylate was characterized using single-crystal X-ray diffraction, elemental analysis, and nuclear magnetic resonance (NMR) spectroscopy.
Abstract: The ionic clathrate hydrate of tetra-n-butylammonium (TBA) acrylate was characterized using single-crystal X-ray diffraction, elemental analysis, and nuclear magnetic resonance (NMR) spectroscopy. ...
TL;DR: In this paper, the synthesis and solid-state NMR characterization of two 17O-labeled platinum anticancer drugs, cis-diammine(1,1-cyclobutane-[17O4]dicarboxylato)platinum(II) (carboplatin) and ([17O 4]oxalato...
Abstract: We report synthesis and solid-state NMR characterization of two 17O-labeled platinum anticancer drugs: cis-diammine(1,1-cyclobutane-[17O4]dicarboxylato)platinum(II) (carboplatin) and ([17O4]oxalato...
TL;DR: Density functional theory calculation was performed to investigate the intermolecular interactions, thermodynamic properties, crystal structure, and detonation performance of CL-20 (2.4,6,8,10,12-h) as mentioned in this paper.
Abstract: Density functional theory calculation was performed to investigate the intermolecular interactions, thermodynamic properties, crystal structure, and detonation performance of CL-20 (2,4,6,8,10,12-h...
TL;DR: The authors describes the evolution of time-resolved electrospray ionization mass spectrometry (TRESI-MS), a technology that was developed in large part at Western University.
Abstract: This review describes the evolution of time-resolved electrospray ionization mass spectrometry (TRESI-MS), a technology that was developed in large part at Western University. TRESI-MS was initiall...
TL;DR: Graphene is a newly discovered material and is considered to be the new wonder material for many applications as discussed by the authors, and the recent possibility of obtaining pure and fully characterized graphene opens the do...
Abstract: Graphene is a newly discovered material and is considered to be the new wonder material for many applications. The recent possibility of obtaining pure and fully characterized graphene opens the do...
TL;DR: The laboratory has successfully accomplished the task of carrying out combinatorial selection to isolate lanthanide-dependent RNA-cleaving DNAzymes, and reports two new DNAZymes, each discovered in a different selection condition and both are highly specific to lanthanides.
Abstract: Lanthanides represent a group of very important but challenging analytes for biosensor development These 15 elements are very similar in their chemical properties So far, limited success has been realized using the rational ligand design approach My laboratory has successfully accomplished the task of carrying out combinatorial selection to isolate lanthanide-dependent RNA-cleaving DNAzymes We report two new DNAzymes, each discovered in a different selection condition and both are highly specific to lanthanides When both DNAzymes are used together, it is possible to identify the last few heavy lanthanides Upon introducing a phosphorothioate modification, one of the abovementioned DNAzymes becomes highly active with many toxic heavy metals With the selection of more DNAzymes with different activity patterns cross the lanthanide series, a sensor array might be produced for identifying each ion This article is a minireview of the current developments on this topic and some of the historical aspects
TL;DR: In this article, the synergistic effect of cyclohexane and cycloehexanone was found to promote the synthesis of adipic acid using [MnIIIT(p-Cl)PP]Cl as co-reactants.
Abstract: The synergistic effect of cyclohexane and cyclohexanone promoted synthesis of adipic acid catalyzed by [MnIIIT(p-Cl)PP]Cl with cyclohexane and cyclohexanone as co-reactants. The results showed that...
TL;DR: Silica sulfuric acid magnetic nanoparticles efficiently catalyze the one-pot, three-component reaction of isatins and malononitrile with dimedone, 1,3-dimethylbarbituric acid or 4-hydroxycoumarin this paper.
Abstract: Silica sulfuric acid magnetic nanoparticles efficiently catalyze the one-pot, three-component reaction of isatins and malononitrile with dimedone, 1,3-dimethylbarbituric acid or 4-hydroxycoumarin i...
TL;DR: In this article, a thorough investigation of solid-state NMR signal enhancement schemes and high-resolution techniques for application to the spin-7/2 43Ca nuclide are presented.
Abstract: A thorough investigation of solid-state NMR signal enhancement schemes and high-resolution techniques for application to the spin-7/2 43Ca nuclide are presented. Signal enhancement experiments employing double frequency sweeps, hyperbolic secant pulses, and rotor-assisted population transfer, which manipulate the satellite transitions of half-integer quadrupolar nuclei to polarize the central transition (m = + 1/2 ↔ –1/2), are carried out on four well-characterized 43Ca isotopically enriched calcium salts: Ca(NO3)2, Ca(OD)2, CaSO4·2H2O, and Ca(OAc)2·H2O. These results, in conjunction with numerical simulations of 43Ca NMR spectra under magic-angle spinning conditions, are used to identify the technique that provides the most uniform (or quantitative) polarization enhancement as well as the largest signal enhancement factors independent of size of the 43Ca quadrupolar coupling constant, which is the most significant source of resonance broadening in 43Ca NMR spectra. These samples are further investigated ...
TL;DR: In this paper, the authors show that small water droplets in the pipeline provide a large total surface area for hydrate formatio... and that the formation of a water-in-oil (W/O) emulsion can be caused by turbulent flow in oil and gas pipelines.
Abstract: Turbulent flow in oil and gas pipelines often results in the formation of a water-in-oil (W/O) emulsion. Small water droplets in the pipeline provide a large total surface area for hydrate formatio...