Browsing School of Chemistry by Title
Now showing items 1-20 of 295
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An ab initio/transition state theory study of the reactions of Ċ5H9 species of relevance to 1,3-Pentadiene, Part II: Pressure dependent rate constants and implications for combustion modeling
(American Chemical Society, 2020-05-12)The temperature- and pressure-dependence of rate constants for several radicals and unsaturated hydrocarbons reactions (1,3-C5H8/1,4-C5H8/cyC(5)H(8) + (H)over dot, C2H4 + (C)over dot(3)H5-a, C3H6 + (C)over dot(2)H(3)) are ... -
Accurate anisotropy recovery from fluorophore mixtures using Multivariate Curve Resolution (MCR)
(Elsevier, 2017-11-22)Anisotropy resolved multidimensional emission spectroscopy (ARMES) provides valuable insights into multi-fluorophore systems like proteins that have complex overlapping emission bands. The method combines multidimensional ... -
Additive tuning redox potential in metallacarboranes by sequencial halogen substitution
(Wiley, 2010-04-21)The first artificially made set of electron acceptors is presented that are derived from a unique platform Cs[3,3′-Co(C2B9H11)2], for which the redox potential of each differs from its predecessor by a fixed amount. The ... -
Adsorption and conformations of lysozyme and α-lactalbumin at a water-octane interface
(AIP Publishing, 2017-11)As proteins contain both hydrophobic and hydrophilic amino acids, they will readily adsorb onto interfaces between water and hydrophobic fluids such as oil. This adsorption normally causes changes in the protein structure, ... -
Adsorption of the natural protein surfactant Rsn-2 onto liquid interfaces
(Royal Society of Chemistry, 2017-02-27)To stabilize foams, droplets, and films at liquid interfaces nature has evolved a range of protein biosurfactants. Compared to synthetic surfactants, these combine surface activity with biocompatibility and low solution ... -
Advances in rapid compression machine studies of low- and intermediate-temperature autoignition phenomena
(Elsevier, 2017-07-10)Rapid compression machines (RCMs) are widely used to acquire experimental insights into fuel autoignition and pollutant formation chemistry, especially at conditions relevant to current and future combustion technologies. ... -
Aggregation of nanoparticles on one and two-component bilayer membranes
(AIP Publishing, 2014)Using dissipative particle dynamics simulations the aggregation of nanoparticles on single and two-component bilayers is investigated. For a uniform bilayer the aggregation of nanoparticlesdepends strongly on the location ... -
The air-water interface stabilizes α-helical conformations of the insulin B-chain
(AIP Publishing, 2019-08-09)Adsorption of proteins onto liquid interfaces, such as the air-water interface, often leads to changes in the protein conformation. This can lead to changes in protein assembly behaviour, with aggregation and fibrillation ... -
The air-water interface stabilizes α-helical conformations of the insulin B-chain
(NUI Galway, 2019-09-16)Dataset to accompany article: Cheung, David L. (2019). The air-water interface stabilizes α-helical conformations of the insulin B-chain. The Journal of Chemical Physics, 151(6), 064706. doi: 10.1063/1.5100253 -
Allelopathic interactions between the brown algal genus lobophora (dictyotales, phaeophyceae) and scleractinian corals
(Nature Publishing Group, 2016-01-05)Allelopathy has been recently suggested as a mechanism by which macroalgae may outcompete corals in damaged reefs. Members of the brown algal genus Lobophora are commonly observed in close contact with scleractinian corals ... -
Allylic azide rearrangement in tandem with Huisgen cycloaddition for stereoselective annulation: synthesis of C-Glycosyl iminosugars
(American Chemical Society, 2015-12-09)Allylic azide rearrangement is used. in,tandem with. intramolecular azide-alkene cycloaddition to give a triazoline that when subsequently decomposed in the presence of a nucleophile gives piperidines. The tandem reaction ... -
Allylic azide rearrangement in tandem with intramolecular Huisgen cycloaddition for iminosugar and glycomimetic synthesis. Functionalized piperidine, pyrrolidine and pyrrolotriazoles from D-mannose
(Thieme Publishing, 2017-04-20)Intramolecular Huisgen azide-alkene cycloaddition reaction of 7-azido-hepta-1,5-diene-3,4-diols, prepared from methyl α-d-mannopyranoside, were carried out. Allylic azide rearrangement to secondary azides occurred ... -
Alternating bimetallic Na/Mn covalent and ionic chains
(RSC, 2010-07-30)The first coordination polymers constructed using the 2,2'-biphenol ligand are described along with their ionic supramolecular counterparts. -
Amperometric flow injection analysis of glucose and galactose based on engineered pyranose 2-oxidases and osmium polymers for biosensor applications
(Wiley, 2018-04-25)In the present study, wild type and three mutants of pyranose 2-oxidase (PyOx-WT, PyOx-MT1, PyOx-MT2, PyOx-MT3), which showed improved properties for D-galactose oxidation, were investigated for their oxidising ability ... -
Analysis of hydrocarbon bearing fluid inclusions HCFI) using time-resolved fluorescence spectroscopy
(Society of Photo-optical Instrumentation Engineers, 2005)Hydrocarbon-bearing fluid inclusions (HCFI) are microscopic cavities within rocks that are filled with petroleum oil, the composition of which may not have changed since the trapping event. Thus, the composition of that ... -
Anisotropy resolved multidimensional emission spectroscopy (ARMES): A new tool for protein analysis
(Elsevier, 2015-07-30)Structural analysis of proteins using the emission of intrinsic fluorophores is complicated by spectral overlap. Anisotropy resolved multidimensional emission spectroscopy (ARMES) overcame the overlap problem by the use ... -
Anomer preferences for glucuronic and galacturonic acid and derivatives and influence of electron-withdrawing substituents
(American Chemical Society, 2018-07-04)Equilibrium anomeric ratios are reported for pyranoses (hemiacetals) of glucuronic and galacturonic acid and their derivatives. These are compared to related gluco- and galactopyranoses and to deoxyfluorogluco- and ... -
Antitumor platinum(IV) derivatives of carboplatin and the histone deacetylase inhibitor 4-phenylbutyric acid
(Elsevier, 2017-09-10)Five new platinum(IV) derivatives of carboplatin each incorporating the histone deacetylase inhibitor 4-phenylbutyrate in axial position were synthesized and characterized by 1H and 195Pt NMR spectroscopy, electrospray ... -
Application of ball milling for highly selective mechanochemical polymorph transformations
(American Chemical Society, 2018-06-07)Milling is an important secondary processing technique in the manufacture of pharmaceuticals, primarily used as a particle size reduction process. p-Aminobenzoic acid (PABA), m-aminobenzoic acid (MABA), o-aminobenzoic acid ... -
Application of vibrational spectroscopy to study solid-state transformations of pharmaceuticals
(2016-09-01)Understanding the properties, stability and transformations of the solid-state forms of an active pharmaceutical ingredient (API) in the development pipeline is of crucial importance for process-development, formulation ...