Browsing School of Chemistry (Scholarly Articles) by Title
Now showing items 166-185 of 185
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Tailoring cocrystal and salt formation and controlling the crystal habit of diflunisal
(American Chemical Society, 2016-09-26)Crystal habit modification of the drug diflunisal that normally grows into extremely thin, long needles has been achieved by breaking the stacking effect with the help of coformers. Eight new cocrystals are reported, along ... -
Tandem reactions via Barton Esters with intermolecular addition and vinyl radical substitution onto indole
(American Chemical Society, 2014-05-16)A one-pot initiator-free Barton ester decomposition with tandem radical addition onto alkyl propiolates or phenylacetylene with aromatic substitution of the resultant vinyl radical allows convenient access to new 9-substituted ... -
Theoretical and kinetic study of the hydrogen atom abstraction reactions of esters with HO2 radicals
(American Chemical Society, 2013-10-31)This work details an ab initio and chemical kinetic study of the hydrogen atom abstraction reactions by the hydroperoxyl radical (HO2) on the following esters: methyl ethanoate, methyl propanoate, methyl butanoate, methyl ... -
Theoretical chemical kinetic study of the h-atom abstraction reactions from aldehydes and acids by Ḣ Atoms and ȮH, HȮ2, and ĊH3 radicals
(American Chemical Society, 2014-11-11)We have performed a systematic, theoretical chemical kinetic investigation of H atom abstraction by H atoms and OH, HO2, and CH3 radicals from aldehydes (methanal, ethanal, propanal, and isobutanal) and acids (methanoic ... -
A theoretical study of cyclic ether formation reactions
(Elsevier, 2016-06-09)Cyclisation reactions of hydroperoxyl-alkyl radicals forming cyclic ethers and hydroxyl radicals play an important role in low temperature oxidation chemistry. These reactions contribute to the competition be-tween radical ... -
Theoretical study of the rate constants for the hydrogen atom abstraction reactions of esters with •OH radicals
(American Chemical Society, 2014-05-30)A systematic investigation of the rate constants for hydrogen atom abstraction reactions by hydroxyl radicals on esters has been performed. The geometry optimizations and frequency calculations were obtained using the ... -
Thermodynamics of linear and star polymers at fluid interfaces
(Royal Society of Chemistry, 2015)Performing molecular dynamics simulations on model systems we study the structural changes and thermodynamic stability of polymers of varying topology (linear and star-shaped) at interface between two liquids. We find that ... -
A theta-shaped amphiphilic cobaltabisdicarbollide anion: transition from monolayer vesicles to micelles
(Wiley, 2011-05-23)Self-assembly is ubiquitous in nature and in surfactant science.1 Globular micelles or vesicles in water are usually obtained with surfactants2 or amphiphilic block copolymers3 composed of a hydrophilic part and a hydrophobic ... -
Time-domain measurement of fluorescence lifetime variation with pH
(Society of Photo-optical Instrumentation Engineers, 2001)Advances in the design and miniaturization of the lasers and electronics required for Time Correlated Single Photon Counting (TCSPC) measurement of fluorescence lifetime have simplified the use of the time domain method. ... -
Time-resolved fluorescence microspectroscopy for characterizing crude oils in bulk and hydrocarbon bearing fluid inclusions.
(Ingenta, 2004)Time-resolved fluorescence data was collected from a series of 23 bulk crude petroleum oils and six microscopic hydrocarbon-bearing fluid inclusions (HCFI). The data was collected using a diode laser fluorescence lifetime ... -
Towards a kinetic understanding of the NOx promoting-effect on ignition of coalbed methane: A case study of methane/nitrogen dioxide mixtures
(Elsevier, 2016-05-03)Nitrogen dioxide (NO2) is an important impurity in coal-bed methane (CBM) and a dominant component of NOx pollution in practical engines. Its promoting effect on methane ignition has been studied in the current experimental ... -
Towards the synthesis of high boron content polyanionic multicluster macromolecules
(American Chemical Society, 2009-07-31)Reported are further consequences of the dioxane ring-opening in [3,3’-Co(8-(CH2CH2O)2-1,2-C2B9H10)(1’,2’-C2B9H11)] [1] with twelve-vertex carborane mono- and dianions. The removal of one BH vertex from the 1,2-carborane ... -
Twisted molecular magnets
(RSC, 2012-09-05)The use of derivatised salicylaldoximes in manganese chemistry has led to the synthesis of a family of approximately fifty hexanuclear ([MnIII6]) and thirty trinuclear ([MnIII3]) Single-Molecule Magnets (SMMs). Deliberate, ... -
Unexpected effects of catalytic amounts of additives on crystallization from the gas phase: Depression of the sublimation temperature and polymorph control
(American Chemical Society, 2016-04-11)Sublimation of carbamazepine, piracetam, diflunisal, and p-minobenzoic acid is enhanced by the presence of additives. Temperature reductions and polymorph control have been observed. Sublimation of carbamazepine containing ... -
Unprecedented B―H activation through Pd catalysed B―Cvinyl bond coupling on borane systems
(Wiley, 2011-04-20)A Pd-induced cascade B–Cvinyl coupling that produces multiple B–Cvinyl bonds starting from a single B–I bond has been demonstrated. The process is most probably stimulated by the geometrical disposition of the B–H bonds ... -
An updated experimental and kinetic modeling study of n-heptane oxidation
(Elsevier ScienceDirect, 2016-07-25)This work presents an updated experimental and kinetic modeling study of n-heptane oxidation. In the experiments, ignition delay times of stoichiometric n-heptaneiair mixtures have been measured in two different high-pressure ... -
Using rapid compression machines for chemical kinetics studies
(Elsevier, 2014-04-26)Rapid compression machines (RCMs) are used to simulate a single compression stroke of an internal combustion engine without some of the complicated swirl bowl geometry, cycle-to-cycle variation, residual gas, and other ... -
Using surface-enhanced Raman scattering (SERS) and fluorescence spectroscopy for screening yeast extracts, a complex component of cell culture media
(2012)Yeastolate or yeast extract, which are hydrolysates produced by autolysis of yeast, are often employed as a raw material in the media used for industrial mammalian cell culture. The source and quality of yeastolate can ... -
What controls the magnetic interaction in bis-mu-alkoxo Mn(III) dimers? A combined experimental and theoretical exploration.
(Wiley, 2012-03-29)The synthesis and magnetic characterisation of a series of bis-mu-alkoxide bridged MnIII dinuclear complexes of general formula [MnIII2(mu-OR)2(biphen)2(ROH)x(L)y] (where R=Me, Et; H2biphen=2,2'-biphenol and L=terminally ... -
Widely applicable metallacarborane reagents for π-conjugated systems
(American Chemical Society, 2014-05-12)The compounds [N(CH3)4][3,3′-Co(8-(p-C6H4C2H3)-1,2-C2B9H10)(1′,2′-C2B9H11)], [N(CH3)4][3,3′-Co(8-(p-C6H4CHO)-1,2-C2B9H10)(1′,2′-C2B9H11)], and [N(CH3)4][3,3′-Co(8-(m-C6H4CHO)-1,2-C2B9H10)(1′,2′-C2B9H11)] were synthesized ...