A5081474776- Advanced NMR Techniques and Applications
- Solid-state spectroscopy and crystallography
- NMR spectroscopy and applications
- Organometallic Compounds Synthesis and Characterization
- Chemical Synthesis and Characterization
- Metal complexes synthesis and properties
- Magnetism in coordination complexes
- Inorganic Fluorides and Related Compounds
- Nuclear materials and radiation effects
- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Atomic and Subatomic Physics Research
- Radioactive element chemistry and processing
- Crystal Structures and Properties
- Soil Moisture and Remote Sensing
- Electron Spin Resonance Studies
- Inorganic Chemistry and Materials
- Glass properties and applications
- Advanced Condensed Matter Physics
- Advanced MRI Techniques and Applications
- Metal Extraction and Bioleaching
- Multiferroics and related materials
- Mesoporous Materials and Catalysis
- Metallic Glasses and Amorphous Alloys
- Advanced Optical Sensing Technologies
Thomas Keating Ltd
2013-2018
University of Warwick
2003-2013
Australian Nuclear Science and Technology Organisation
2005-2009
National Institute of Chemical Physics and Biophysics
2004-2006
University of Oxford
2004-2006
Centre National de la Recherche Scientifique
2005
Sorbonne Université
2005
University of Exeter
2000-2001
Sol–gel derived bioactive glasses (70 mol% SiO2 and 30 CaO) have high potential as materials for bone regeneration devices sustained drug delivery. They bond to a controllable degradation rate. unique tailorable nanoporosity, which enhances their surface area exposes hydroxyl groups affects protein adsorption cellular response. This study aims fully characterise the evolution of nanoporous structure sol–gel glass first time, understand its nanostructure control, so that with specific...
13C, 14N, 15N, 17O, and 35Cl NMR parameters, including chemical shift tensors quadrupolar for 35Cl, are calculated the crystalline forms of various amino acids under periodic boundary conditions complemented by experiment where necessary. The 13C 14N electric field gradient (EFG) in excellent agreement with experiment. Similarly, static 17O spectra could be precisely simulated using calculation full (CS) their relative orientation EFG tensors. This study allows correlations to found between...
Transmission electron microscopy of a geopolymer phase, derived from metakaolin and alkaline silicate solutions having nominal Na/Al Si/Al molar ratios 1 2, respectively, showed it to be amorphous on the ∼1 nm scale after curing at 40°C. In samples containing 5 wt% Cs or Sr, inhabited whereas Sr was incorporated only partly, being preferentially partitioned crystalline SrCO 3 . Heating progressively dewater material had little effect overall structure for temperatures up 500°C. From...
A systematic solid-state 17O NMR study of a series carboxylic compounds, maleic acid, chloromaleic KH maleate, chloromaleate, K2 and LiH phthalate·MeOH, is reported. Magic-angle spinning (MAS), triple-quantum (3Q) MAS, double angle rotation (DOR) spectra were recorded at high magnetic fields (14.1 18.8 T). MAS for metal-free acids metal-containing salts show featured demonstrate that this combined, where necessary, with DOR 3QMAS, can yield site-specific information samples containing...
17O solid-state NMR from 14 amino acids is reported here, greatly increasing the number investigated. In most cases well-separated resonances carbonyl and hydroxyl oxygens with distinct second-order quadrupolar line shapes are observed using a 600 MHz spectrometer fast magic angle spinning (MAS). This in contrast to motionally averaged usually seen solution. For double-angle rotation (DOR) produces decrease width by more than factor of 40, providing very high resolution, ∼1 ppm, spectra. The...
A variable B(0) field static (broadline) NMR study of a large suite niobate materials has enabled the elucidation high-precision measurement (93)Nb interaction parameters such as isotropic chemical shift (delta(iso)), quadrupole coupling constant and asymmetry parameter (C(Q) eta(Q)), span/anisotropy skew/asymmetry (Omega/Deltadelta kappa/eta(delta)) Euler angles (alpha, beta, gamma) describing relative orientation quadrupolar tensorial frames. These measurements have been augmented with ab...
We describe the electromagnetic development of microwave calibration units for second generation meteorological operational satellites. In particular, we focus on and thermal design on-board targets (OBCT) sounder (MWS) ice cloud imager (ICI), respectively. The OBCTs act as temperature reference calibration. Therefore, they are required to exhibit a low reflectivity uniform temperature. This paper discusses numerical pyramid absorbers MWS ICI. Based theoretical studies, have developed novel...
The structural basis of selectivity for cesium and strontium microcrystalline hexagonal tungsten bronze (HTB) phase Na(x)WO(3+x/2).zH(2)O has been studied using X-ray neutron diffraction techniques, 1D 2D (23)Na magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy, radiochemical ion exchange investigations. For the HTB system, this study shown that scattering techniques alone provide an incomplete description disorder rapid water (with tunnel cations) occurring in system....
DNP enhanced (1)H NMR at 143 MHz in toluene is investigated using an spectrometer coupled with a modified EPR operating 94 GHz and TEMPOL as the polarisation agent. A 100 W microwave amplifier was incorporated into output stage of instrument so that high powers could be delivered to probe either CW or pulsed mode. The maximum enhancement for ring protons increases from approximately -16 5 mM solution -50 20 power 480 mW. temperature dependence enhancement, relaxation rates ESR spectrum were...
It is shown that the temperature dependence of DNP enhancement NMR signal from water protons at 3.4 T using TEMPOL as a polarising agent can be obtained provided nuclear relaxation, T(1I), sufficiently fast and resolution sufficient to measure (1)H shift. For high radical concentrations (∼100 mM) leakage factor approximately 1 and, microwave power available, saturation also 1. In this situation solely product ratio electron gyromagnetic ratios coupling enabling latter directly determined....
High-resolution, solid-state (11)B NMR spectra have been obtained at high magnetic fields for a range of polycrystalline borates using double-rotation (DOR), multiple-quantum magic angle spinning and isotopic dilution. DOR linewidths can be less than 0.2 ppm in isotopically diluted samples, allowing highly accurate values the isotropic chemical shift, δiso, electric field gradient to obtained. The experimental are used as test density functional calculations both projector augmented wave...
A solid-state 17O NMR 1H-decoupled double angle rotation (DOR) study of monosodium l-glutamate monohydrate (l-MSG) is reported. It shown that all eight inequivalent sites can be resolved with DOR line widths (∼65 Hz) ∼120 times narrower than those in the MAS spectrum. The lines are tentatively assigned on basis their behavior under proton decoupling and isotropic chemical shift quadrupole interaction parameter for each extracted by a combination 3Q at variable magnetic fields. With range ∼45...