School of Chemistry (Scholarly Articles)
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Atomistic study of zwitterionic peptoid antifouling brushes
(American Chemical Society, 2018-08-24)Using molecular dynamics (MD) simulations, we study the molecular behavior and hydration properties of a set of zwitterionic peptoid brushes, grafted on a rutile surface, that has been previously reported to exhibit ... -
A Cu(II) complex targeting the translocator protein: in vitro and in vivo antitumor potential and mechanistic insights
(Royal Society of Chemistry, 2016-12-01)A new Cu-based anticancer metallodrug which targets the translocator protein is reported. [CuBr2(TZ6)] elicits a remarkable in vitro cytotoxicity in sensitive and multidrug resistant cell lines and induces a 98% reduction ... -
A comprehensive cocrystal screening study of chlorothiazide
(American Chemical Society, 2017-09-01)Cocrystal formation of chlorothiazide (ctz) was screened with a variety of coformers with carboxyl, amide, hydroxyl, sulfonamide, pyridine, amidine, and amine functional groups. New cocrystals with acetamide (aca), benzamide ... -
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 ... -
A comprehensive spectroscopic study of the polymorphs of diflunisal and their phase transformations
(Elsevier, 2017-06-08)Understanding phase transitions in pharmaceutical materials is of vital importance for drug manufacturing, processing and storage. In this paper we have carried out comprehensive high-resolution spectroscopic studies on ... -
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 ... -
Applications of raman spectroscopy in biopharmaceutical manufacturing: A short review
(Sage Publications, 2017-05-23)The production of active pharmaceutical ingredients (APIs) is currently undergoing its biggest transformation in a century. The changes are based on the rapid and dramatic introduction of protein- and macromolecule-based ... -
Synthesis of migrastatin analogues as inhibitors of tumour cell migration: Exploring structural change in and on the macrocyclic ring
(Wiley, 2015-11-04)Migrastatin and isomigrastatin analogues have been synthesised in order to contribute to structure-activity studies on tumour cell migration inhibitors. These include macrocycles varying in ring size, functionality and ... -
Solvothermal synthesis of discrete cages and extended networks comprising {Cr(III)3O(O2CR)3(oxime)3}2- (R = H, CH3, C(CH3)3, C14H9) building blocks
(Royal Society of Chemistry, 2016-07-28)The synthesis, structural and magnetic characterisation of a family of related Cr(III) cages are reported. Each member comprises {Cr(III)3O(O2CR1)3(R2-sao)3}2- (R1 = H, CH3, C(CH3)3, C14H9 ; R2 = Me, Ph, tBu, C10H8) triangles ... -
Does the chemical diversity of the Order Haplosclerida (Phylum Porifera: Class Demospongia) fit with current taxonomic classification?
(Georg Thieme Verlag, 2016-05-02)Sponges and their associated microbiota are well known to produce a large diversity of natural products, also called specialized metabolites. In addition to their potential use in the pharmaceutical industry, these rather ... -
Methyl 2,3,6-tri-O-Benzoyl-4-O-(tert-butyldimethylsilyl)-β-d-galactopyranoside
(MDPI (Multidisciplinary Digital Publishing Institute), 2017-03-19)Methyl 2,3,6-tri-O-benzoyl-4-O-(tert-butyldimethylsilyl)-β-d-galactopyranoside was synthesized in 47% yield by the silylation of a partially benzoylated galactose derivative, prepared from methyl β-d-galactopyranoside. ... -
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 ... -
Stereoselective epimerizations of glycosyl thiols
(American Chemical Society, 2017-10-17)Glycosyl thiols are widely used in stereoselective S-glycoside synthesis. Their epimerization from 1,2-trans to 1,2-cis thiols (e.g., equatorial to axial epimerization in thioglucopyranose) was attained using TiCl4, while ... -
CO2-responsive polyacrylamide copolymer vesicles with acid-sensitive morpholine moieties and large hydrophobic RAFT end-group
(Elsevier, 2017-10-07)Sequential Reversible Addition Fragmentation Chain Transfer (RAFT) polymerizations using 2,2′-azobis[2-(2-imidazolin-2-yl)propane]dihydrochloride (VA-044) and 2-(dodecylthiocarbonothioylthio)-2-methylpropionic acid ... -
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, ... -
Chemometric approaches to low-content quantification (LCQ) in solid-state mixtures using Raman mapping spectroscopy.
(Royal Society of Chemistry, 2017-10-30)The low-content quantification (LCQ) of active pharmaceutical ingredients or impurities in solid mixtures is important in pharmaceutical manufacturing and analysis. We previously demonstrated the feasibility of using Raman ... -
Ignition characteristics of 2-methyltetrahydrofuran: An experimental and kinetic study
(Elsevier, 2016-10-10)The present paper elucidates oxidation behavior of 2-methyltetrahydrofuran (2-MTHF), a novel second-generation biofuel. New experimental data sets for 2-MTHF including ignition delay time measurements in two different ... -
An RCM experimental and modeling study on CH4 and CH4/C2H6 oxidation at pressures up to 160 bar
(Elsevier, 2017-06-13)The oxidation of CH4 and CH4/C2H6 mixtures were studied at pressures relevant to knocking in large bore natural gas engines. The experiments were carried out in a rapid compression machine (RCM) at end of compression (EOC) ... -
Simplified approach to the prediction and analysis of temperature inhomogeneity in rapid compression machines
(American Chemical Society, 2015-11-03)Substantial progress has been made in understanding and reducing temperature inhomogeneity in rapid compression machines (RCMs) with the help of computational modeling. To date, however, it has not been possible to investigate ... -
Assessing the predictions of a NOx kinetic mechanism on recent hydrogen and syngas experimental data
(Elsevier, 2017-05-02)A detailed chemical kinetic mechanism has been developed to describe the pyrolysis and oxidation of the hydrogen/NOx and syngas/NOx systems. The thermodynamic data of nitrogenous compounds have been updated based on the ...