Browsing School of Chemistry by Title
Now showing items 202-221 of 360
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Kernel principal component analysis residual diagnosis (KPCARD): an automated method to remove cosmic ray artefacts in Raman spectra.
(2016)A new, fully automated, rapid method, referred to as kernel principal component analysis residual diagnosis (KPCARD), is proposed for removing cosmic ray artifacts (CRAs) in Raman spectra, and in particular for large Raman ... -
A kinetic modelling study of alcohols operating regimes in a HCCI engine
(SAE International, 2017-09-04)Pursuing a sustainable energy scenario for transportation requires the blending of renewable oxygenated fuels such as alcohols into commercial hydrocarbon fuels. From a chemical kinetic perspective, this requires the ... -
A kinetics and dynamics study on the auto-ignition of dimethyl ether at low temperatures and low pressures
(Elsevier, 2020-09-14)Though the combustion chemistry of dimethyl ether (DME) has been widely investigated over the past decades, there remains a dearth of ignition data that examines the low-temperature, low-pressure chemistry of DME. In this ... -
Lectins: getting familiar with translators of the sugar code
(MDPI, 2015-01-22)The view on the significance of the presence of glycans in glycoconjugates is undergoing a paradigmatic change. Initially mostly considered to be rather inert and passive, the concept of the sugar code identifies glycans ... -
Lewis acid induced anomerization of se-glycosides. Application to synthesis of alpha-Se-GalCer
(American Chemical Society, 2016-01-22)The TiCl4 induced anomerization of selenium glycosides of galacturonic acid derivatives is reported. The reaction was successful for galacturonic acid when various alkyl, alkenyl, alkynyl, saccharide, steroid, and lipid ... -
Lewis acid promoted anomerisation of alkyl O- and S-xylo-, arabino- and fucopyranosides
(Elsevier, 2018-11-24)Pentopyranoside and 6-deoxyhexopyranosides, such as those from d-xylose, l-arabinose and l-fucose are components of natural products, oligosaccharides or polysaccharides. Lewis acid promoted anomerisation of some of their ... -
Ligand design for somatostatin receptor isoforms 4 and 5
(Elsevier, 2018-11-17)The somatostatin receptor (SSTR) isoforms, SSTR-4 and SSTR-5 are targets in numerous disorders and diseases. Although there has been some success in achieving selective isoform inhibition, structure-based drug design and ... -
Light driven styrene epoxidation and hydrogen generation using H2O as an oxygen source in a photoelectrosynthesis cell
(Royal Society of Chemistry, 2015-10-02)A dye-sensitized photoelectrosynthesis cell (DSPEC) has been prepared for the oxidation of alkenes to epoxides and evolution of hydrogen using water as an oxygen source and sunlight. A Ru oxidation catalyst, 2,2+ , is ... -
Liquid-crystal-mediated force between a cylindrical nanoparticle and substrate
(American Physical Society, 2007-10-25)Using classical density functional theory, the structure of a molecular fluid around a cylindrical nanoparticle near a solid substrate is studied. The solvent-mediated force between the nanoparticle and the substrate is ... -
Low Temperature Fluorescence Studies of Crude Petroleum Oils
(2011)We have studied the low-temperature (133-298 K) fluorescence emission of crude petroleum oils using a combination of steady-state and time-resolved measurements. This was done, first, to see if we could generate linear ... -
Low-content quantification in powders using Raman spectroscopy: a facile chemometric approach to sub 0.1% limits of detection.
(American Chemical Society, 2015-02-23)A robust and accurate analytical methodology for low-content (<0.1%) quantification in the solid-state using Raman spectroscopy, sub-sampling, and chemometrics was demonstrated using a piracetam–proline model. The method ... -
Machine learning methods for quantitative analysis of Raman spectroscopy data
(Society of Photo-optical Instrumentation Engineers (SPIE), 2003-08-27)The automated identification and quantification of illicit materials using Raman spectroscopy is of significant importance for law enforcement agencies. This paper explores the use of Machine Learning (ML) methods in ... -
Manipulating cocrystal size and morphology using a combination of temperature cycling and additives
(American Chemical Society, 2020-11-20)A cooling crystallization of benzoic acid and isonicotinamide in ethanol yields the 1:1 cocrystal with an extreme needle-like morphology with an initial mean aspect ratio of ∼10 and a size of ∼64 μm. We demonstrate that ... -
Mapping the terrain for the Lean Supply Chain 4.0
(Emerald, 2023-10-03)This study aims to carry out a systematic literature review (SLR) on the integration of Lean, Industry 4.0 and the supply chain or the Lean Supply Chain (LSC) 4.0. The research analyses the current research on the LSC 4.0 ... -
Measuring the micro-polarity and hydrogen-bond donor/acceptor ability of thermoresponsive N-isopropylacrylamide/N-tert-butylacrylamide copolymer films using solvatochromic indicators
(application/pdf, 2009)Thin polymer films are important in many areas of biomaterials research, biomedical devices, and biological sensors. The accurate in situ measurement of multiple physicochemical properties of thin polymer films is critical ... -
Measuring the Micro-Polarity and Hydrogen-Bond Donor/Acceptor Ability of Thermoresponsive N-Isopropylacrylamide/N-tert-Butylacrylamide Copolymer Films Using Solvatochromic Indicators
(2009)Thin polymer films are important in many areas of biomaterials research, biomedical devices, and biological sensors. The accurate in situ measurement of multiple physicochemical properties of thin polymer films is critical ... -
Mechanochemical tuning of the binaphthyl conformation at the air water interface
(Wiley, 2015-06-12)Gradual and reversible tuning of the torsion angle of an amphiphilic chiral binaphthyl, from −90° to −80°, was achieved by application of a mechanical force to its molecular monolayer at the air–water interface. This 2D ... -
Merging carbohydrate chemistry with lectin histochemistry to study inhibition of lectin binding by glycoclusters in the natural tissue context
(Springer, 2015-11-09)Recognition of glycans by lectins leads to cell adhesion and growth regulation. The specificity and selectivity of this process are determined by carbohydrate structure (sequence and shape) and topology of its presentation. ... -
Metal-based glycoconjugates and their potential in targeted anticancer chemotherapy
(De Gruyter Open, 2016-04-07)Glucose is a key source of energy and an essential nutrient for cell growth. Rapidly dividing cancer cells are well-known to require more nutrients and energy than normal ones to sustain their higher proliferation ... -
Metallacarboranes and their interactions: theoretical insights and their applicability
(Royal Society of Chemistry, 2012-02-14)This tutorial review will deal with the study of metallacarboranes and their interactions with other molecules from a theoretical point of view. This contribution is devoted to guide experimental chemists through calculations ...