Browsing School of Chemistry (Scholarly Articles) by Title
Now showing items 216-235 of 347
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The misplacement of ISO 18404:2015 in organisational improvement: a point-counterpoint article
(Emerald, 2023-09-05)This paper gives the background to the ISO 18404:2015 standard and explains its rationale. It aims to rebut the Oudrhiri et al. (2022) paper. Furthermore, this paper adds further evidence of the misplacement and unfitness ... -
Modeling ignition of a heptane isomer: improved thermodynamics, reaction pathways, kinetics, and rate rule optimizations for 2-methylhexane
(American Chemical Society, 2016-03-21)Accurate chemical kinetic combustion models of lightly branched alkanes (e.g., 2-methylalkanes) are important to investigate the combustion behavior of real fuels. Improving the fidelity of existing kinetic models is a ... -
Modeling nitrogen species as pollutants: thermochemical influences
(American Chemical Society, 2016-08-22)To simulate emissions of nitrogen-containing compounds in practical combustion environments, it is necessary to have accurate values for their thermochemical parameters, as well as accurate kinetic values to describe the ... -
Modelling Förster resonance energy transfer (FRET) using anisotropy resolved multi-dimensional emission spectroscopy (ARMES)
(Elsevier, 2020-11-16)Background Förster Resonance Energy Transfer (FRET) is widely used to study the structure and dynamics of biomolecular systems and also causes the non-linear fluorescence response observed in multi-fluorophore proteins. ... -
Molecular dynamics study of nanoparticle stability at liquid interfaces: effect of nanoparticle-solvent interaction and capillary waves
(AIP Publishing, 2011)While the interaction of colloidal particles (sizes in excess of 100 nm) with liquidinterfaces may be understood in terms of continuum models, which are grounded in macroscopic properties such as surface and line tensions, ... -
Molecular simulation of hydrophobin adsorption at an oil-water interface
(American Chemical Society, 2012-05-16)Hydrophobins are small, amphiphilic proteins expressed by strains of filamentous fungi. They fulfill a number of biological functions, often related to adsorption at hydrophobic interfaces, and have been investigated for ... -
Molecular simulation of nanoparticle diffusion at fluid interfaces
(2010)Using molecular dynamics simulations the transport properties of a model nanoparticle in solution are studied. In bulk solvent the translational diffusion coefficients are in good agreement with previous simulation and ... -
Molecular structure and phase behaviour of hairy-rod polymers
(Royal Society of Chemistry, 2009)Using dissipative particle dynamics simulations the relationship between molecular architecture and phase behaviour in model hairy-rod polymers is studied. In agreement with experimental and theoretical studies the phase ... -
Monitoring cell culture media degradation using surface enhanced Raman scattering (SERS) spectroscopy
(Elsevier (Science Direct), 2014-06-13)The quality of the cell culture media used in biopharmaceutical manufacturing is a crucial factor affecting bioprocess performance and the quality of the final product. Due to their complex composition these media are ... -
Monitoring local unfolding of bovine serum albumin during denaturation using steady-state and time-resolved fluorescence spectroscopy
(Springer, 2010-03)In a previous report (J. Fluoresc. 16, 153, 2006) we studied the chaotropiclly induced denaturation of Bovine Serum Albumin (BSA) using the fluorescence decay kinetics at different stages in the denaturation of BSA by ... -
Monte Carlo simulations of liquid crystals between microstructured substrates
(American Institute of Physics, 2008)The structure of a model liquid crystalline fluid confined between two microstructured substrates is studied through Monte Carlo simulations. A simple model for a structured substrate, similar in spirit to those used for ... -
Monte Carlo simulations of liquid crystals near rough walls
(American Institute of Physics, 2005-02-15)The effect of surface roughness on the structure of liquid crystalline fluids near solid substrates is studied by Monte Carlo simulations. The liquid crystal is modeled as a fluid of soft ellipsoidal molecules and the ... -
Morphological transitions in polymer vesicles upon bilayer swelling with small hydrophobic molecules in water
(Royal Society of Chemistry, 2013)We show that when unilamellar polymer vesicles dispersed in water made from a blockcopolymer, in this case poly((ethylene oxide)45-block-(methyl methacrylate)164), poly((ethylene oxide)45-block-(methyl methacrylate)170), ... -
Multi-attribute quality screening of immunoglobulin G using polarized Excitation Emission Matrix spectroscopy
(Elsevier, 2019-12-10)Immunoglobulin G (IgG) is often used as a starting material for the production of functionalised antibodies, like Antibody Drug Conjugates (ADCs), PEGlyated-conjugates, or radioimmunoconjugates. The gross structural quality ... -
Multiplexed electrochemical cancer diagnostics with automated microfluidics
(Wiley, 2018-11-27)Microfluidic platforms can lead to miniaturisation, increased throughput and reduced reagent consumption, particularly when the processes are automated. Here, a programmable microcontroller is used for automation of a ... -
Multivalent carbohydrate-lectin interactions: the way synthetic chemistry enables insights into nanometric recognition
(MDPI Open Access, 2016-05-13)Glycan recognition by sugar receptors (lectins) is intimately involved in many aspects of cell physiology. However, the factors explaining the exquisite selectivity of their functional pairing are not yet fully understood. ... -
N-Alkyl-1,5-dideoxy-1,5-imino-l-fucitols as fucosidase inhibitors: Synthesis, molecular modelling and activity against cancer cell lines
(Elsevier, 2018-12-04)1,5-Dideoxy-1,5-imino-l-fucitol (1-deoxyfuconojirimycin, DFJ) is an iminosugar that inhibits fucosidases. Herein, N-alkyl DFJs have been synthesised and tested against the ¿-fucosidases of T. maritima (bacterial origin) ... -
The natural bile acid surfactant sodium taurocholate (NaTC) as a coformer in coamorphous systems: Enhanced physical stability and dissolution behavior of coamorphous drug-NaTc systems
(Elsevier, 2018-10-28)The amorphization of 18 different drugs on milling with one mole equivalent sodium taurocholate (NaTC) was investigated. In all cases the X-ray powder pattern showed an amorphous halo after milling at room temperature or ... -
A new era for homolytic aromatic substitution: replacing Bu3SnH with efficient light-induced chain reactions
(Royal Society of Chemistry, 2016-04-01)Herein is a pertinent review of recent photochemical homolytic aromatic substitution (HAS) literature. Issues with using the reductant Bu3SnH in an oxidative process where the net loss of a hydrogen atom occurs is discussed. ... -
New experimental insights into acetylene oxidation through novel ignition delay times, laminar burning velocities and chemical kinetic modelling
(Elsevier, 2018-08-03)The oxidation of acetylene is central to the oxidation of virtually all hydrocarbon fuels. It is also important for commercial industry, due to its wide range of applications such as flame photometry, atomic absorption, ...