Research data supporting the publication "A High-Power 4 × 4: Crystallographic and Electrochemical Insights into a Novel Wadsley-Roth Anode Nb9Ti1.5W1.5O30"

Data depository includes the following: Powder X-ray diffraction (PXRD) of novel material Nb9Ti1.5W1.5O30, H-Nb2O5, T-Nb2O5, solid solution range Nb12-2xTixWxO30 (0.7 <=x<=2.5). SEM image and EDX maps and count rates for Nb9Ti1.5W1.5O30. Electrochemistry of Nb9Ti1.5W1.5O30 for rate testing and cycle life testing. Neutron diffraction folder as received from central facilities (ISIS Neutron and Muon Source)

Research data supporting the publication "A High-Power 4 × 4: Crystallographic and Electrochemical Insights into a Novel Wadsley-Roth Anode Nb9Ti1.5W1.5O30"

Data depository includes the following: Powder X-ray diffraction (PXRD) of novel material Nb9Ti1.5W1.5O30, H-Nb2O5, T-Nb2O5, solid solution range Nb12-2xTixWxO30 (0.7 <=x<=2.5). SEM image and EDX maps and count rates for Nb9Ti1.5W1.5O30. Electrochemistry of Nb9Ti1.5W1.5O30 for rate testing and cycle life testing. Neutron diffraction folder as received from central facilities (ISIS Neutron and Muon Source)

Data supporting "Mix-and-match diols: Adjusting self-assembly of micellar phases in choline chloride eutectics"

The dataset contains SAXS and SANS data for the systems described in "Mix-and-match diols: Adjusting self-assembly of micellar phases in choline chloride eutectics" which has been corrected for instrumental parameters using standard procedures and had appropriate backgrounds subtracted. The datasets are shown as graphs in the paper, and were used in the fitting procedures described

Dataset for "The effect of polymer end-group on the formation of Styrene – Maleic Acid Lipid Particles (SMALPs)"

Styrene-maleic acid (SMA) copolymers have recently become the focus of attention for their ability to extract membrane proteins from cell membranes together with their native lipid environment. However, the mechanism by which these copolymers interact with lipid membranes is not well understood, nor are the key aspects of polymer structure in facilitating membrane protein extraction. The purpose for obtaining this data was to assess the effects of the copolymer end group upon solution behaviour and nanodisc formation. This dataset contains characterisation data for SMA copolymers with equivalent molecular weights and compositions (GPC, FTIR, 1H and 13C NMR spectroscopy) but varied end groups, including deuterostyrene variants used for neutron scattering experiments. End group exchange was monitored by UV-vis and 1H DOSY NMR spectroscopy. Aggregation behaviours arising from aqueous copolymer solutions, including the effects of heat treatment, were studied by dynamic light scattering (DLS) and interfacial surface tension measurements in both air and dodecane. Small angle neutron scattering (SANS) studies were used to examine the structure of copolymer aggregates, as well as that of the nanodiscs formed upon the addition of lipids, to further discern mechanistic differences

Dataset for "Interactions of Choline and Geranate (CAGE) and Choline Octanoate (CAOT) Deep Eutectic Solvents with Lipid Bilayers"

Deep eutectic solvents (DES) and ionic liquids (ILs) are often amphiphilic and interact with phospholipid membranes. Mixtures between choline and gernanic acid, coined 'CAGE', have been found to facilitate the transdermal delivery of larger pharmaceuticals, such as insulin. However, little is known about its mechanism of activity. The purpose for obtaining this data was to characterise aqueous suspensions of choline and germanic acid (CAGE) and choline and octanoic acid (CAOT) and compare their interactions with solid-supported lipid bilayers and vesicle layers. Particularly, dynamic light scattering (DLS) and quartz crystal microbalance with dissipation (QCM-D) measurements were used alongside neutron reflectivity (NR) to evaluate any structure-function relationships contributing to the DES behaviour, aiming towards the rational design of neoteric solvents for transdermal delivery

Dataset supporting "Neutron diffraction study of indole solvation in deep eutectic systems of choline chloride, malic acid, and water"

This dataset includes neutron diffraction data from samples of indole in choline chloride:malic acid deep eutectic solvent in the presence and absence of water. The data has been processed using the program Gudrun to remove background scattering and instrumental effects, (creating .mint01 files) so it is ready for use in data fitting. The text files contain a header describing the name of the sample, the experimenters, and then three columns: Q (x-axis), differential scattering cross section (y-axis), error in intensity

Data sets for "Structural Investigation of Sulfobetaines and Phospholipid Monolayers at the air-water interface"

Normalized neutron and X-ray reflectivity data for Langmuir monolayers composed of mixtures of dimyristoylphosphatidylcholine, DMPC and a single 18-carbon tailed sulfobetaine, SB3-18 on pure water at room temperature and at surface pressures of 15 mN/m and 35 mN/m. Neutron measurements are carried out on D2O and air contrast matched water. Measurements were carried out with deuterated and hydrogenated lipids

Research data supporting the publication "Effect of Anionic Lipids on Mammalian Plasma Cell Membrane Properties

This dataset contains the data for the results in this publication on mixed phosphatidylethanolamine/phosphatidylserine bilayers supported on Au(111) electrodes and monolayers at the air/water interface. The measurements included: pressure-area isotherm data, electrochemical data on supported bilayers, in situ infrared spectroscopy (PM-IRRAS) data on supported bilayers, Brewster Angle Microscopy, Grazing Incidence X-ray Diffraction, X-ray Reflectivity and Neutron Reflectivity data on monolayers

The onset of copper-ion mobility and the electronic transitions in kesterite, Cu2ZnGeSe4

Kesterite-related phases have attracted considerable interest as earth-abundant photovoltaic and thermoelectric materials. For the kesterite Cu2ZnGeSe4, we have established a direct link between anomalies in the temperature dependence of transport properties and an order -disorder transition. Powder neutron diffraction as a function of temperature reveals an order-disorder transition at 473 K, involving disordering of copper and zinc cations over three crystallographic positions. Vacancies are simultaneously created on the copper-ion sublattice, indicative of the concomitant onset of copper-ion mobility. Differential scanning calorimetry data show a weak thermal signature in this temperature region, typical of a second-order phase transition, which is consistent with the absence of anomalies in the temperature dependence of the unit cell volume. The partial melting of the copper-ion sublattice induces a transition in the electrical-transport properties. The changes in electrical resistivity and Seebeck coefficient suggest this involves a transition from a conventional, activated semiconductor, to a degenerate semiconductor. The entry of an increasing fraction of the copper-ion sub-lattice into a liquid-like state is reflected in a reduction in thermalconductivity above 473 K. The order-disorder phase transition identified here has consequences for the performance of photovoltaic and thermoelectric devices based on kesterites

Dataset for "Ab initio reconstruction of small angle scattering data for membrane proteins in copolymer nanodiscs"

The purpose behind this dataset is to investigate the use of form-factor based SANS fitting methods and compare them to dummy-models generated using the ab initio modelling tools. The paper focusses on two different membrane proteins, outer membrane protein F (OmpF) and gramicidin incorporated into polymer nanodiscs with styene maleic acid (SMA). These constructs were compared to other techniques (DLS and CD) to discuss the differences that arise from investigating these complex systems using various methods. These were also compared to known crystal structures. This dataset holds the raw data files for the paper titled: "Ab initio reconstruction of small angle scattering data for membrane proteins in copolymer nanodiscs". Techniques include; size exclusion chromatography (SEC) for purification prior to other techniques; circular dichroism (CD); dynamic light scattering (DLS); small angle neutron scattering (SANS) and ab initio modelling constructs