School of Chemistry (Scholarly Articles)
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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 ... -
A hierarchical single-pulse shock tube pyrolysis study of C-2-C-6 1-alkenes
(Elsevier, 2020-06-27)A single-pulse shock tube study of the pyrolysis of 2% C-2 - C-6 1-alkenes is presented at 2 bar in the tem-perature range 900-1800 K in the current study. Reactant, intermediate and product species are obtained and ... -
Effect of surface chemistry on islet amyloid polypeptide conformation
(American Institute of Physics, 2020-09-04)The formation of dense, linear arrays (fibrils) by biomolecules is the hallmark of a number of degenerative diseases, such as Alzheimer s and type-2 diabetes. Protein fibrils have also attracted interest as building blocks ... -
Influence of excipients on cocrystal stability and formation
(American Chemical Society, 2020-05-26)Cocrystal formation is widely used to modify and optimize the physicochemical properties of an active pharmaceutical ingredient (API). However, the stability of cocrystals toward formulation with excipients is little ... -
Investigation of non-covalent interactions of metal complexes with DNA in cell-free systems
(Schweizerische Chemische Gesellschaft, 2017-03-01)Non-covalent interactions of metallo compounds with DNA range from the simple, unspecific electrostatic binding of a positively charged metal complex to the sequence-selective recognition of DNA binding sites due to shape, ... -
Spontaneous solid-state cocrystallization of caffeine and urea
(American Chemical Society, 2020-01-09)The cocrystallization of caffeine and urea was monitored and analyzed using infrared spectroscopy, Raman microscopy, scanning electron microscopy, differential scanning calorimetry, and X-ray diffraction. The caffeine-urea ... -
The very different effect of water on nucleation, crystallization, and hydrate stability of zingerone and vanillate esters
(American Chemical Society, 2020-01-09)Vanillin and vanillate esters are widely used as flavorings in the food industry, and the vanillin derivative zingerone is one of the compounds found in the spice ginger. Neither the growth of single crystals of zingerone ... -
Unprecedented morphology control of gas phase cocrystal growth using multi zone heating and tailor made additives
(Royal Society of Chemistry, 2020-04-15)Herein, it is shown for the first time that cocrystals can be grown by cosublimation with unprecedented morphology control using tailor made additives. Multicrystalline sea-urchin motifs and solids that look like candy-floss ... -
Characterization of Lysozyme PEGylation products using polarized Excitation Emission Matrix (pEEM) spectroscopy
(Wiley, 2020-07-07)The growing use of therapeutic proteins requires accurate measurement techniques for measuring biophysical and structural changes during manufacturing. This is particularly true for PEGylation of proteins, because ... -
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 ... -
A Bpp-based dinuclear ruthenium photocatalyst for visible light-driven oxidation reactions
(Royal Society of Chemistry, 2019-11-05)A diruthenium dyad molecule consisting of a 2,2-(1H-pyrazole-3,5-diyl)dipyridine (Hbpp) bridging ligand with the formula out-/in-[(bpy)2Ru(bpp)Ru(L)(tpy)]n+ (bpy = 2,2′-bipyridine, tpy = 2,2′:6′,2′′-terpyridine, L = Cl, ... -
Electrolysis of low-grade and saline surface water
(Nature Research (part of Springer Nature), 2020-02-17)Review Article Published: 17 February 2020 Electrolysis of low-grade and saline surface water Wenming Tong, Mark Forster, Fabio Dionigi, Sören Dresp, Roghayeh Sadeghi Erami, Peter Strasser, Alexander J. Cowan & Pau ... -
Supramolecular stacking in a high Z′ calix[8]arene–porphyrin assembly
(Royal Society of Chemistry, 2019-11-15)A co-crystal structure of sulfonato-calix[8]arene (sclx8) and trimethylanilinium-porphyrin (tmap) at 1.0 Å resolution is reported. The oppositely charged macrocycles formed an alternating stacked assembly. Crystal packing ... -
Tuning protein frameworks via auxiliary supramolecular interactions
(American Chemical Society, 2019-09-06)Protein crystals with their precise, periodic array of functional building blocks have potential applications in biomaterials, sensing, and catalysis. This paper describes how a highly porous crystalline framework of a ... -
Calixarene-mediated assembly of a small antifungal protein
(International Union of Crystallography, 2019-02-05)Synthetic macrocycles such as calixarenes and cucurbiturils are increasingly applied as mediators of protein assembly and crystallization. The macrocycle can facilitate assembly by providing a surface on which two or more ... -
Investigating native state fluorescence emission of Immunoglobulin G using polarized Excitation Emission Matrix (pEEM) spectroscopy and PARAFAC
(Elsevier, 2018-12-20)Intrinsic fluorescence spectroscopy (IFS) measurements for protein structural analysis can be enhanced by the use of anisotropy resolved multidimensional emission spectroscopy (ARMES). ARMES attempts to overcome the ... -
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 ... -
Using polarized Total Synchronous Fluorescence Spectroscopy (pTSFS) with PARAFAC analysis for characterizing intrinsic protein emission
(Elsevier, 2019-10-15)Using polarized Excitation Emission Matrix (pEEM) spectroscopy to measure the intrinsic emission of proteins offers a potentially useful methodology for a wide variety of potential applications. However, the presence of ... -
An experimental and kinetic modeling study of the oxidation of hexane isomers: Developing consistent reaction rate rules for alkanes
(Elsevier, 2019-05-09)Alkanes are key components in gasoline, jet and diesel fuels and considerably influence the combustion behavior of these fuels because of their wide range of reactivity. An improved understanding of their combustion behavior ... -
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 ...