Supporting data for Trimeric Cyclamers: Solution Aggregation and High Z′ Crystals Based on Guest Structure and BasicityJonathan W. Steed, Stuart R. Kennedy, Adeline Miquelot & Juan A. Aguilar
Ureidosalicylic acid forms remarkable trimeric cyclamer-like crystal structures with either three or six independent molecules in the asymmetric unit as a result of the excess of hydrogen bond donors and guest inclusion within the centre of the cyclamer. The structures persist in solution in hydrogen bond acceptor solvents suggesting a role in solution pre-association in forming high Z′ structures.
Data for "Superconducting Properties of Titanium Alloys (Ti-64 and Ti-6242) for Critical Current Barrels"F. J. Ridgeon, M. J. Raine, D. P. Halliday, M. Lakrimi, A. Thomas & Damian Hampshire
Abstract fro paper — We have measured the superconducting properties of the titanium alloy Ti-6Al-4V (Ti-64) as-supplied and following two of the heat treatment schedules used for the Nb3Sn strands in the ITER tokamak. The Ti-64 alloy is the standard choice in the superconducting community for the barrels used to make critical current (IC) measurements in high magnetic fields at cryogenic temperatures. Ti-64, which has a two-phase alpha + beta microstructure and contains vanadium (nb...
This thesis presents the work towards the realisation of an interferometer using bright solitary waves in a ring. The splitting of a bright solitary wave, which is created from a 85Rb Bose-Einstein condensate in an optical waveguide, is realised through scattering from a narrow potential well formed from a tightly focussed red detuned laser beam. We observe reflection of up to 25% of the atoms, along with the trapping of atoms at the position of...
Software and Dataset for "Phase Separation on Bicontinuous Cubic Membranes: Symmetry Breaking, Re-entrant and Domain Facetting"Halim Kusumaatmaja, Fabien Paillusson & Matthew Pennington
We study the phase separation of binary lipid mixtures that form bicontinuous cubic phases. The competition between non-uniform Gaussian membrane curvature and line tension leads to a very rich phase diagram, where we observe symmetry breaking of the membrane morphologies and re- entrant phenomena due to the formation of bridges between segregated domains. Upon increasing the line tension contribution, we also find facetting of lipid domains that we explain using a simple argument based on...
Relating Molecular Morphology to Charge Mobility in Semi-Crystalline Conjugated Polymers: Underpinning dataMatthew Jones, Buddhapriya Charkrabarti & David Huang
The dataset.zip file contains four sets of data used in the Journal of Physical Chemistry paper to which this DOI is linked. These are - Crystal data; Charge transport data; charge transport input data (morphologies); paracrystallinity data. Each sub directory contains a short .txt file to assist interpreting the data.
Progress towards quantum-enhanced interferometry with harmonically trapped quantum matter-wave bright solitons: Supporting data V2Bettina Gerjerenken, Timothy P. Wiles & Christoph Weiss
Data supporting the publication http://arxiv.org/abs/1508.00656 Replaces http://dx.doi.org/10.15128/44558d349
Supporting data for the publication: http://arxiv.org/abs/1510.07845 "Center-of-mass motion as a sensitive convergence test for variational multi-mode quantum dynamics", authors: Jayson G. Cosme, Christoph Weiss and Joachim Brand.
Supporting data for: Optimal design of a toroidal field magnet system and cost of electricity implications for a tokamak using high temperature superconductorsT. S. Lee, I. Jenkins, Elizabeth Surrey & Damian Hampshire
The potential for reducing the Cost of Electricity (CoE) by using High Temperature Superconductors (HTS) in the Toroidal Field (TF) coils of a fusion tokamak power plant has been investigated using a new HTS module in the PROCESS systems code. We report the CoE and the design of HTS tokamaks that have been optimized by minimising the major radius of the plasma. Potential future improvements in both the superconducting properties and the structural materials for...
Free-Space Permittivity Measurement at Terahertz Frequencies with a Vector Network Analyser: Supporting DataJonathan Hammler
Dataset contains S-parameter measurements recorded with Vector Network Analyser Agilent N5224A. Data are presented as coma-separated values (*.csv) and Matlab v5 (*.mat) files.
Data for "Dressed-state electromagnetically induced transparency for light storage in uniform phase spin-waves"Nikola Šibalić
We present, experimentally and theoretically, a scheme for dressed-state electromagnetically induced transparency (EIT) in a three-step cascade system where a four-level system is mapped into an effective three-level system. Theoretical analysis reveals that the scheme provides coherent state control via adiabatic following and provides a generalized protocol for light storage in uniform phase spin-waves that are insensitive to motional dephasing. The three-step driving enables a number of other features including spatial selectivity of the excitation...
Muon-spin relaxation study of the double perovskite insulators Sr2BOsO6 (B = Fe, Y, ln): Supporting data.T Lancaster, R C Williams, F Xiao, I O Thomas, S J Clark, G A Cornish, S J Blundell, W Hayes, A K Paul, C Felser & M Jansen
Supporting data for the paper "Muon-spin relaxation study of the double perovskite insulators Sr2BOsO6 (B = Fe, Y, ln)"
Data archive for Chem Comm paper | Furosemide's one little hydrogen atom: NMR crystallography structure verification of powdered molecular organicsCory Widdifield
The potential of NMR crystallography to verify molecular crystal structures deposited in structural databases is evaluated, with two structures of the pharmaceutical furosemide serving as examples. While the structures differ in the placement of one H atom, using this approach, we verify one of the structures in the Cambridge Structural Database using quantitative tools, while establishing that the other structure does not meet the verification criteria.
Vikki Bird thesis supplementary data: Structure and dynamics in polystyrene/single-walled carbon nanotube nanocomposites via neutron scattering techniquesVikki Bird
The dataset archive contains Origin software project files (*.opj). A free viewer to inspect data can be downloaded form http://www.originlab.com
The dataset archive contains tabulated data as presented at Fig. 2 and Fig. 3 of the paper (https://arxiv.org/abs/1608.03303)
Improved 3D Sparse Maps for High-performance Structure from Motion with Low-cost Omnidirectional Robots - Evaluation DatasetToby P. Breckon & Pedro Cavestany
Data set used in research paper doi:10.1109/ICIP.2015.7351744
Deviations from Born-Oppenheimer mass scaling in spectroscopy and ultracold molecular physics: research dataJeremy M. Hutson & Jesse J. Lutz
We investigate Born-Oppenheimer breakdown (BOB) effects (beyond the usual mass scaling) for the electronic ground states of a series of homonuclear and heteronuclear alkali-metal diatoms, together with the Sr$_2$ and Yb$_2$ diatomics. Several widely available electronic structure software packages are used to calculate the leading contributions to the total isotope shift for commonly occurring isotopologs of each species. Computed quantities include diagonal Born-Oppenheimer corrections (mass shifts) and isotopic field shifts. Mass shifts dominate for light...
Data on compliance of Durham publications with RCUK Open Access policy, including APC spend from the RCUK block grant. Year 3: August 1st 2015 to July 31st 2016
Underlying data for paper "Metal ‘Turn-off’, Anion ‘Turn-On’ Gelation Cascade in Pyridinylmethyl Ureas" submitted to Chemical Communications 15/11/16
Muon data for "Magnetization dynamics and frustration in the multiferroic double perovskite Lu2MnCoO6"Tom Lancaster, J.S. Möller & S.J. Blundell
An archive of the muon data included in the paper.
Improved Raindrop Detection using Combined Shape and Saliency Descriptors with Scene Context Isolation - Evaluation DatasetToby P. Breckon & Dereck D. Webster
The presence of raindrop induced image distortion has a significant negative impact on the performance of a wide range of all-weather visual sensing applications including within the increasingly import contexts of visual surveillance and vehicle autonomy. A key part of this problem is robust raindrop detection such that the potential for performance degradation in effected image regions can be identified. Here we address the problem of raindrop detection in colour video imagery using an extended...
We report the synthesis of a bis(urea) gelator designed to specifically mimic the chemical structure of the highly polymorphic drug substance ROY. Crystallization of ROY from toluene gels of this gelator results in the formation of the metastable red form instead of the thermodynamic yellow polymorph. In contrast, all other gels and solution control experimetns give the yellow form. Conformational and crystal structure prediction methods have been used to propose the structure of the gel...
A combination of solid-state NMR techniques, including 13C/1H correlation, 2H magic-angle spinning NMR and first principles calculation are employed to characterise the role of water in different hydration states of sildenafil citrate. The 13C spectrum is fully assigned for the first time and direct correlations made with respect to the crystal structure. 2H magic-angle spinning NMR is demonstrated to be a powerful tool for the study of dynamic and exchange processes in complex hydrate systems,...
Characterisation of phosphorylated nucleotides by collisional and electron-based tandem mass spectrometry by FTICR MSJackie Mosely
FT ICR mass spectrometry: collision induced dissociation and electron-based dissociation of phosphorylated nucleotides
Direct measurement of excited-state dipole matrix elements using electromagnetically induced transparency in the hyperfine Paschen-Back regimeDaniel J Whiting, James Keaveney, Charles S Adams & Ifan G Hughes
The folder "transmission-spectra" contains the raw data files (in CSV format) for the transmission signal of the probe beam along with files named etalon and reference which were used in the frequency calibration of the transmission spectra. The folder "beam-profiles" contains the raw images of the probe and control beams in BMP format.