A5043053765- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Photosynthetic Processes and Mechanisms
- Electron Spin Resonance Studies
- Photochemistry and Electron Transfer Studies
- Light effects on plants
- Ionic liquids properties and applications
- Porphyrin and Phthalocyanine Chemistry
- Photoreceptor and optogenetics research
- Advanced NMR Techniques and Applications
- Conducting polymers and applications
- Spectroscopy and Quantum Chemical Studies
- Quantum and electron transport phenomena
- Photodynamic Therapy Research Studies
- Organic Electronics and Photovoltaics
- Molecular Junctions and Nanostructures
- Nanoplatforms for cancer theranostics
- Electrochemical Analysis and Applications
- Synthesis and characterization of novel inorganic/organometallic compounds
- Microbial metabolism and enzyme function
- Atomic and Subatomic Physics Research
- Free Radicals and Antioxidants
- Advanced Photocatalysis Techniques
- Solid-state spectroscopy and crystallography
- Innovative Teaching and Learning Methods
London Centre for Nanotechnology
2016-2025
University College London
2016-2025
Saarland University
2018-2025
Inspira
2023
Klinikum Saarbrücken
2020
Institute of Structural and Molecular Biology
2009-2018
University of Dundee
2017
Ninewells Hospital
2017
NHS Tayside
2017
NHS Grampian
2017
Singlet fission, the process of forming two triplet excitons from one singlet exciton, is a characteristic reserved for only handful organic molecules due to atypical energetic requirement low energy excited states. The predominant strategy achieving such trait by increasing ground state diradical character; however, this greatly reduces ambient stability. Herein, we exploit Baird's rule aromaticity manipulate singlet-triplet gap and create novel fission candidates. We achieve through...
Abstract Supported atomic metal sites have discrete molecular orbitals. Precise control over the energies of these is key to achieving novel reaction pathways with superior selectivity. Here, we achieve selective oxygen (O 2 ) activation by utilising a framework cerium (Ce) cations reduce energy 3 d orbitals isolated copper (Cu) sites. Operando X-ray absorption spectroscopy, electron paramagnetic resonance and density-functional theory simulations are used demonstrate that [Cu(I)O ] 3− site...
Building efficient triplet-harvesting layers for photovoltaic applications requires a deep understanding of the microscopic properties components involved and their dynamics. Singlet fission is particularly appealing mechanism as it generates two excitons from single photon. However, pathways coupled triplets into free species, dependence on intermolecular geometry, has not been fully explored. In this work, we produce highly ordered dilute pentacene films with distinct parallel herringbone...
Room temperature ionic liquids are considered to have huge potential for practical applications such as batteries. However, their high viscosity presents a significant challenge use changing from niche ubiquitous. The modelling and prediction of in is the subject an ongoing debate involving two competing hypotheses: molecular local mechanisms versus collective long-range mechanisms. To distinguish between these theories, we compared liquid with its uncharged, isoelectronic, isostructural...
Anion's conformational flexibility greatly influences the rotational and translational motions of ions in imide-based ionic liquids, more than fluorination mass.
The blue-light sensitive photoreceptor, phototropin, is a flavoprotein which regulates the phototropism response of higher plants. photoinduced triplet state and photoreactivity flavin-mononucleotide (FMN) cofactor in two LOV domains Avena sativa, Adiantum capillus-veneris, Chlamydomonas reinhardtii phototropin have been studied by time-resolved electron paramagnetic resonance (EPR) UV-vis spectroscopy at low temperatures (T < or = 80 K). Differences electronic structure FMN as reflected...
Abstract The viability of dilute magnetic semiconductors in applications is linked to the strength couplings, and room temperature operation still elusive standard inorganic systems. Molecular are emerging as an alternative due their long spin-relaxation times ease processing, but, with notable exception vanadium-tetracyanoethylene, transition temperatures remain well below boiling point liquid nitrogen. Here we show that thin films powders molecular semiconductor cobalt phthalocyanine...
Dark-colored shiny flakes of graphitic carbon nitride materials produced by reacting dicyandiamide C2N4H4 in a KBr/LiBr molten salt medium were determined to have C/N ratio near 1.2:1. The compounds also contained 2.3–2.5 wt % H incorporated within N–H species identified Fourier transform infrared spectroscopy. One recent study revealed analogous results for thin films an similar synthesis method, while previous investigation instead reported formation crystalline gC3N4 with triazine-based...
Abstract Voltage-gated sodium channels have essential roles in electrical signalling. Prokaryotic are tetramers consisting of transmembrane (TM) voltage-sensing and pore domains, a cytoplasmic carboxy-terminal domain. Previous crystal structures bacterial revealed the nature their TM domains but not C-terminal (CTDs). Here, using electron paramagnetic resonance (EPR) spectroscopy combined with molecular dynamics, we show that CTD NavMs channel from Magnetococcus marinus includes flexible...
Relaxases play essential roles in conjugation, the main process by which bacteria exchange genetic material, notably antibiotic resistance genes. They are bifunctional enzymes containing a trans-esterase activity, is responsible for nicking DNA strand to be transferred and covalent attachment resulting 5'-phosphate end, helicase unwinding while it being transported recipient cell. Here we show that these two activities carried out conformers can both load simultaneously on origin of transfer...
The electrical conductivity of poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) films with four salts that have various cations but the same bis(trifluoromethanesulfonyl)amide (TFSI) anion was studied. We found doping small-sized led to better because improved crystalline order and p-doped level PEDOT, as revealed by grazing-incidence wide-angle X-ray scattering (GIWAXS) UV–vis spectrum. This phenomenon can be rationalized fact stronger Coulombic interactions lead high...
Whereas triplet-nitrene complexes of the late transition metals are isolable and key intermediates in catalysis, singlet-nitrene ligands remain elusive. Herein we communicate three such palladium terminal imido with singlet ground states. UV–vis–NIR electronic spectroscopy broad bands up to 1400 nm as well high-level computations (DFT, STEOM-CCSD, CASSCF/NEVPT2, EOS analysis) reactivity studies suggest significant palladium(0) character. Although aliphatic nitrene proved be too reactive for...
Abstract Lipid droplet (LD) function relies on proteins partitioning between the endoplasmic reticulum (ER) phospholipid bilayer and LD monolayer membrane to control cellular adaptation metabolic changes. It has been proposed that these hairpin integrate into both membranes in a similar monotopic topology, enabling their passive lateral diffusion during emergence at ER. Here, we combine biochemical solvent-accessibility assays, electron paramagnetic resonance spectroscopy intra-molecular...
The LOV2 domain of <i>Avena sativa</i>phototropin and its C450A mutant were expressed as recombinant fusion proteins examined by optical spectroscopy, electron paramagnetic resonance, electron-nuclear double resonance. Upon irradiation (420–480 nm), the protein gave an absorption spectrum characteristic a flavin radical even in absence exogenous donors, thus demonstrating that mononucleotide (FMN) cofactor photogenerated triplet state is potent oxidant for redox-active amino acid residues...
Site specific incorporation of molecular probes such as fluorescent- and nitroxide spin-labels into biomolecules, subsequent analysis by Förster resonance energy transfer (FRET) double electron-electron (DEER) can elucidate the distance distance-changes between probes. However, have an intrinsic conformational flexibility due to linker which they are conjugated biomolecule. This property minimizes influence label side chain on structure target molecule, but complicates direct correlation...
Methylene blue and 2 nm gold nanoparticles were incorporated into commercial PVC catheters by use of a simple "swell–encapsulation–shrink" method using acetone–water mixtures. Neither the methylene nor nanogold leached aqueous solution assemblage was stable to photodegradation upon laser irradiation. Exposure modified red light for 4–8 minutes induced lethal photosensitisation Staphylococcus epidermidis Escherichia coli. Results from time-resolved EPR spectroscopy suggested that enhanced...
A major obstacle to the efficient production of antibody conjugates for therapy and diagnosis is non-ideal performance commonly used chemical methods attachment effector-molecules interest. Here we demonstrate that this limitation can be simply addressed using 3,4-substituted maleimides bridge thus functionalize disulfide bonds generate homogeneous conjugates. This one-step conjugation reaction fast, site-specific, quantitative generates products with full binding activity, good plasma...
Iron-catalyzed generation of free radicals leads to molecular damage in vivo, and has been proposed contribute organismal ageing. Here we investigate the role iron ageing nematode Caenorhabditis elegans. Media supplementation with Fe(III) increased levels as detected by continuous-wave electron paramagnetic resonance spectroscopy elevated expression iron-sensitive reporter transgene pftn-1::gfp. Increased caused protein oxidation hypersensitivity tert-butyl hydroperoxide (t-BOOH) given 9 mM...