cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17863/cam.68920
title: Research data supporting "An orthogonal biocatalytic approach for the safe generation and use of HCN in a multi-step continuous preparation of chiral O-acetylcyanohydrins"

description: Batch procedure for the CalB-catalyzed hydrolysis of ethyl cyanoformate (ECF). Flow procedure for the CalB-catalyzed hydrolysis of ethyl cyanoformate (ECF). Procedure for the immobilization of AtHNL on Celite. Procedure for the preparation of E. coli-AtHNL- and purification. Estimation of AtHNL content in lyophilized E. coli. Gene sequence for His6-AtHNL. Batch procedure for the synthesis of (R)-mandelonitrile. Synthesis of (R)-mandelonitrile by two-step (CalB-Celite-AtHNL) procedure in flow. Synthesis of (R)-mandelonitrile by two-step (CalB-E. coli-AtHNL) procedure in flow. Batch procedure for the synthesis of racemic O-acetylcyanohydrins. p. 8 S12. General flow procedure for the three-step cascade synthesis of (R)-O-acetylcyanohydrins. p. 9 S13. Enantiomeric excess (ee) determination of compounds 3a – 3f prepared by the three-step cascade flow process. p. 15 S14. Spectroscopic characterization of compound 3a – 3f. p. 16 S15 References.
description: This work was supported by the EPSRC [grants number EP/K009494/1 and EP/K039520/1].
DOI: 10.17863/cam.68921
title: Research data supporting "Hot-carrier cooling and photoinduced refractive index changes in organic–inorganic lead halide perovskites"

description: Figures and Supplementary Figures as embedded objects in a powerpoint
description: This record supports publication and is available at http://dx.doi.org/10.1038/ncomms9420
description: This work was supported by the EPSRC [grant number BR 4869_1-1] and the Deutsche Forschungsgemeinschaft, Winton Programme (Cambridge) for the Physics of Sustainability
DOI: 10.17863/cam.68922
title: Research data supporting "Nanocathodoluminescence Reveals Mitigation of the Stark Shift in InGaN Quantum Wells by Si Doping"

description: The data refers the graphs used in the manuscript; EDS spectra, CL spectra, and the simulated properties.
description: This work was supported by the ERC [grant number (FP7/2007 - 2013) under agreement no. 279361 (MACONS)] and the EPSRC [grant numbers EP/J003603/1 and EP/H047816/1].
DOI: 10.17863/cam.68923
title: Research data supporting "Monitoring early-stage nanoparticle assembly in microdroplets by optical spectroscopy and SERS"

description: Data corresponds to the graphical figures in the associated manuscript "Monitoring early-stage nanoparticle assembly in microdroplets by optical spectroscopy and SERS".
description: This work was supported by the ERC [grant number LINASS 320503] and EPSRC [grant numbers EP/K028510/1, EP/G037221/1, EP/G060649/1 & EP/L027151/1.
DOI: 10.17863/cam.68924
title: Research data supporting "Controlled Generation and Use of CO in flow"

description: Supporting information file and original 1H and 13C NMR files (mestrenova) for all compounds synthesised.
description: This work was supported by the EPSRC [grant numbers EP/K009494/1 and EP/K039520/1] and the Danish Council for Strategic Research [grant number 11-116196).
DOI: 10.17863/cam.68925
title: Research data supporting: "Room temperature sputtering of inclined c-axis ZnO for shear mode solidly mounted resonators"

description: X-ray diffraction, SEM and frequency response data with and without liquid loadings on acoustic resonator devices.
description: This record supports publication and is available at http://dx.doi.org/10.1063/1.4940683
description: This work was supported by the EC [grant number SPIRE-01-2014-636820 ], Ministerio de Economcıa y Competitividad del Gobierno de Espana [grant number MAT2013-45957-R] and Cambridge Trusts.
DOI: 10.17863/cam.68926
title: Research data supporting 'Tunable magnetic alignment between trapped exciton-polariton condensates'.

description: Figures raw data and Mathematica simulation files
description: This research data supports 'Tunable magnetic alignment between trapped exciton-polariton condensates', which has been published in the 'Physical Review Letters'.
description: This work was supported by the EPSRC [grant numbers EP/G060649/1& EP/L027151/1] and ERC [grant numbers INDEX 289968 & LINASS 320503].
DOI: 10.17863/cam.68927
title: Research data supporting "Pseudopotential for the 2D contact interaction"

description: A Mathematica notebook which may be run to generate all the pseudopotentials used in the paper 'Pseudopotential for the 2D contact interaction'. Contains documentation on how to run the notebook.
description: This work was supported by the EPSRC [research grant number EP/J017639/1], Royal Society, Cambridge European Trust, VSB Fonds, De Breed Kreiken Innovatie Fonds of the Prins Bernhard Cultuurfonds and Gonville & Caius College
DOI: 10.17863/cam.68928
title: Research data supporting "Comparative study of (0001) and (11-22) InGaN based light emitting diodes"

description: Data on doping and PL (plan ASCII) Measurements of LEDs and cTLM on chip (XLSX).
description: This work was supported by the ERC [grant number NMP-2011-280587].
DOI: 10.17863/cam.68929
title: Research data supporting: "Low-Loss and High-Bandwidth Multimode Polymer Waveguide Components Using Refractive Index Engineering"

description: This record has been published in the Conference on Lasers and Electro-Optics journal.
description: This work was supported by the EPSRC [grant number EP/H022384/1].
DOI: 10.17863/cam.68931
title: Research data supporting "High Performance Field Emitters"

description: A meta-analysis spanning over two decades worth of published work on bulk, one dimensional and two dimensional materials and their corresponding turn-on and maximum current density as it pertains to the realisation of high performing electron emitters.
description: 10.1002/advs.201500318
description: “This work was supported by the EPSRC [grant number Impact Acceleration Account - 68240].
DOI: 10.17863/cam.68932
title: Research data supporting: "11 Gb/s WDM Transmission Over SI-POF Using Violet, Blue and Green μLEDs"

description: Measurement of the micro-LED spectrum, L-V curves. The BER performance of each wavelength channel of the WDM link, estimated using the equalized waveforms and the measured APD receiver noise for the back-to-back (short POF patchcord) and 10 m POF link.
description: This research data supports '11 Gb/s WDM Transmission Over SI-POF Using Violet, Blue and Green μLEDs', which is now published at http://dx.doi.org/10.1364/OFC.2016.Tu2C.5
description: This work was supported by the EPSRC [grant number EP/K00042X/1].
DOI: 10.17863/cam.68933
title: Supporting data for "Using the scanning fluid dynamic gauging device to understand the cleaning of baked lard layers" (Ali et al., Journal of Surfactants and Detergents)

description: These are Microsoft Excel files which contain the data used to generate the plots in the paper. The files are labelled by Figure number: a complete description is given in the paper.
description: This work was supported by EPSRC [Author Akin Ali held an EPSRC PhD studentship], and by Procter & Gamble [provided support funding at the level of an industrial CASE award].
DOI: 10.17863/cam.68934
title: Dataset for stiffness evolution of biocomposites as a function of applied strain and failure life

description: The dataset describes evolution of stiffness of aligned plant fibre composites during i) monotonic loading, ii) low-cycle, repeated progressive loading, and iii) fatigue loading. Plant fibre composites comprising of different fibre types (viz. flax, hemp and jute), fibre volume fractions and textile architectures (unidirectional and multi-axial reinforcements) were studied.
description: This record supports publication and is available at http://dx.doi.org/10.1016/j.compositesa.2015.09.008
description: This work was supported by the University of Nottingham (Nottingham Innovative Manufacturing Research Centre), Leverhulme.
DOI: 10.17863/cam.68935
title: Research data supporting "Mesh files for simulations of flow around a flat plate and Drosophila wing in the Gmsh format"

description: Gmsh geo files for simulations of flow around a flat plate and Drosophila wing. Computational meshes can be generated from these files using Gmsh. flat-plate-mesh.geo - mesh around a flat plate with aspect ratio 2 drosophila-wing-mesh.geo - mesh around a model of a wing of Drosophila
description: This record supports publication and is available at http://dx.doi.org/10.1016/j.compfluid.2015.08.026
description: This work was supported by the EPSRC [grant number EP/G008531/1].
DOI: 10.17863/cam.68936
title: Supporting data for "Holomorphic Hartree-Fock Theory: An inherently multireference approach"

description: Data pertaining to the figures on the publication.
description: This work was supported by the Royal Society, and by the Royal Society of Chemistry [grant number UF110161].
DOI: 10.17863/cam.68937
title: Research data supporting "Mass spectrometry reveals protein kinase CK2 high–order oligomerization via the circular trimeric assembly"

description: Raw or processed data derived from native mass spectrometry, ion–mobility spectrometry–mass spectrometry and HDX–MS experiments organized into 4 folders. Folder name: Excess CK2alpha • Raw data of native mass spectrometry experiments with excess CK2α • E.g. CK2alpha-0.40AA.raw • AA refers to ammonium acetate • Numbers refer to concentration of ammonium acetate Folder name: Excess CK2beta • Raw data of native mass spectrometry experiments with excess CK2β • E.g. CK2beta-0.20AA.raw • AA refers to ammonium acetate • Numbers refer to concentration of ammonium acetate Folder name: HDX • Processed HDX data using CK2α as search sequence Folder name: Ion mobility • Raw data of ion mobility experiments • E.g. AH-H7.raw • First identifier (e.g. AH) refers to protein • Second identifier (e.g. H7) refers to wave height • AH = alcohol dehydrogenase • AVD = avidin • CCA = concanavalin A • PK = pyruvate kinase
description: Folder name: Excess CK2alpha • Raw data of native mass spectrometry experiments with excess CK2α • E.g. CK2alpha-0.40AA.raw • AA refers to ammonium acetate • Numbers refer to concentration of ammonium acetate
description: Folder name: Excess CK2beta • Raw data of native mass spectrometry experiments with excess CK2β • E.g. CK2beta-0.20AA.raw • AA refers to ammonium acetate • Numbers refer to concentration of ammonium acetate
description: Folder name: HDX • Processed HDX data using CK2α as search sequence
description: Folder name: Ion mobility • Raw data of ion mobility experiments • E.g. AH-H7.raw • First identifier (e.g. AH) refers to protein • Second identifier (e.g. H7) refers to wave height • AH = alcohol dehydrogenase • AVD = avidin • CCA = concanavalin A • PK = pyruvate kinase
description: This work was supported by the Wellcome Trust [Wellcome Trust Strategic Award (090340/Z/09/Z)].
DOI: 10.17863/cam.68938
title: Research data supporting "Polarisation-selective hotspots in metallic ring stack arrays"

description: This archive contains the data used to generate the figures in our paper "Polarisation-selective hotspots in metallic ring stack arrays", which has been published in Optics Express, 2016. These measurements were performed at the NanoPhotonics Centre, Cavendish Laboratory, in 2015. Further details are provided in the paper, and in the .pdf file included in the archive.
description: This record supports publication "Polarisation-selective hotspots in metallic ring stack arrays" which has been published in Optic Express.
description: This work was supported by the ERC [grant number 320503] and EPSRC [grants EP/L027151/1 and EP/L015978/1].
DOI: 10.17863/cam.68939
title: Data for Imaging ballistic carrier trajectories in graphene using scanning gate microscopy

description: Raw data for each figure in above manuscript. Origin project file.
description: This work was supported by the EPSRC [grant number RG73138].
DOI: 10.17863/cam.68940
title: Research data supporting "A Polymorphism in the processing body component Ge-1 Controls Resistance to a Rhabdovirus in Drosophila"

description: Supporting data for the manuscript of "A Polymorphism in the processing body component Ge-1 Controls Resistance to a Rhabdovirus in Drosophila" including: survival proportions, quantitative pcr data and raw sequences used for multiple alignments.
description: This work was supported by the European Research Council [grant number 281668 to F.M.J], the Wellcome Trust [grant number WT081279 to F.M.J] and the Cambridge Commonwealth, European & International Trust and China Scholarship Council
DOI: 10.17863/cam.68941
title: Research data supporting "Synthesis of Natural and Unnatural Cyclooligomeric Depsipeptides Enabled by Flow Chemistry"

description: Data files to support the publication "Synthesis of Natural and Unnatural Cyclooligomeric Depsipeptides enabled by flow chemistry." Processable NMR and IR files and original HRMS print outs for all synthesised compounds
description: This work was supported by the EPSRC [grant numbers EP/K009494/1 and EP/K039520/1].
DOI: 10.17863/cam.68942
title: Data for publication: A Neutron Diffraction Study of the Electrochemical Double Layer Capacitor Electrolyte Tetrapropylammonium Bromide in Acetonitrile

description: Gudrun setup files: input files for generating r-space structural data from raw diffraction data files for EPSR simulations: - .jmol, .mol and .ato files for template molecules for making simulation boxes - .ato files for simulation boxes - .NWTS and .NWTStot.wts files for describing isotopic compositions for generating q-space and r-space functions from simulation boxes - .epsr.inp files for describing simulation running details - .mint01 files q-space function generated from experimental data using Gudrun, used to compare functions generated from simulation boxes to measured data EPSR - solution cluster calcs: spreadsheet detailing probability of ion clusters of all possible sizes Raw diffraction data is not included as this can be retrieved from the ISIS Facility data repository. Raw data is under ISIS experiment RB1300029.
description: This work was supported by the ERC [grant number ERC-2009-AdG-247411] and the Oppenheimer Fellowship, Gonville and Caius College Junior Research Fellowship.
DOI: 10.17863/cam.68943
title: Research data supporting "Temperature Dependence of Charge Localization in High-Mobility, Solution-Crystallized Small Molecule Semiconductors Studied by Charge Modulation Spectroscopy"

description: Original data for the figures in the manuscript
description: This work was supported by the EPSRC [grant number Industrial Case studentship Aurelie Meneau].
DOI: 10.17863/cam.68944
title: Research data supporting "Experimental measurement of wrinkle formation during draping of non-crimp fabric"

description: Data generated from images and load measurements supporting the publication "Experimental measurement of wrinkle formation during draping of non-crimp fabric".
DOI: 10.17863/cam.68945
title: Research data supporting "Vibrational lifetimes and friction in adsorbate motion determined from quasi-elastic scattering"

description: The data pack contains a series of Helium Spin-Echo (HeSE) data measuring the dynamics and vibrational properties of C5H5 on a Cu(111) surface.
description: This work was supported by the EPSRC [grant number EP/E0049621], US National Science Foundation [grant number CHE1124879], Royal Society and Austrian Academy of Sciences.
DOI: 10.17863/cam.68946
title: Dataset for the figures in "Self-assembled Multilayers of Silica Nanospheres for Defect Reduction in Non- and Semipolar Gallium Nitride Epitaxial Layers"

description: These are supporting research data files for "Self-assembled Multilayers of Silica Nanospheres for Defect Reduction in Non- and Semipolar Gallium Nitride Epitaxial Layers" article, published in "Crystal Growth & Design": DOI: 10.1021/acs.cgd.5b01560. Detailed description of these data is contained within figure captions in paper (article's DOI will be available after publication).
description: This record supports publication and is available at http://pubs.acs.org/doi/10.1021/acs.cgd.5b01560
description: This work was supported by the EPSRC [grant numbers EP/J003603/1 and EP/M011682/1], by the European Research Council under the European Community’s Seventh Framework Programme [grant number FP7/2007-2013] and by ERC grants [grant number 279361 (MACONS) and grant number 280078 (EMATTER)].
DOI: 10.17863/cam.68947
title: Research data supporting NMR Spectra of Ti3C2 MXene

description: This includes the FIDs and processed spectra of all NMR experiments published in the paper "NMR Reveals the Surface Functionalisation of Ti3C2 MXene". Specifically, this is 1H, 13C and 19F NMR experiments as well as 1H-13C and 1H-19F correlation experiments for Ti3C2 MXene. Please see the paper for more details. The files are provided in the JCAMP-DX format, for which there are non-proprietary software packages available. However, these files were generated by Bruker's TopSpin, and time domain data in particular may only load correctly using this program. The pulse sequences used are also provided in the TopSpin format.
description: This work was supported by the EPSRC [grant number EP/L019469/1] and Oppenheimer Foundation.
DOI: 10.17863/cam.68948
title: Research data supporting "Detailed Analysis of the Solution Heat Treatment of a Third-Generation Single-Crystal Nickel-Based Superalloy CMSX-10K"

description: Data associated with Solution Heat Treatment of Nickel-Base Superalloy CMSX-10K 1. Remnant Inter-dendritic area fraction data 2. Composition measurement data
description: This record supports publication and is available at http://dx.doi.org/10.1007/s11661-015-3252-2
description: This work was supported by the EPSRC [grant number EP/H500375/1].
DOI: 10.17863/cam.68949
title: Data from "Cavity-enhanced coherent light scattering from a quantum dot"

description: Data used in the figure presented in the publication "Cavity-enhanced coherent light scattering from a quantum dot."
description: 10.1126/sciadv.1501256
description: This work was supported by the EPSRC [grant number EP/G037256/1] and Marie Curie Training Network PICQUE [grant number 608062].
DOI: 10.17863/cam.68950
title: Research data supporting "Modelling of trapped fields by stacked (RE)BCO tape using angular transversal field dependency"

description: Experimental data and FEM modeling results supporting publication "Modelling of trapped fields by stacked (RE)BCO tape using angular transversal field dependency". An Finite Element Model of a stack of superconducting coated conductors was constructed using the H formulation, incorporating goniometric critical current and n‑value measurements included in this repository. The modeling results were validated by field cooling experiments for stacks of different heights.
description: This record has been published in IEE Transactions on Applied Superconductivity.
description: This work was supported by the EPSRC [grant number LJAG/627 task 17].
DOI: 10.17863/cam.68951
title: Supplementary data for "Integrated Adaptation with Multi-Factor Joint-Learning for Far-Field Speech Recognition"

description: Description of the Speech Recognition Training and Test Data and its Availability used for Experiments. Key Speech Recognition Outputs/Detailed Scoring Results used in the paper.
description: This work was supported by the EPSRC [grant number EP/I031022/1], NSF (IIS), DARPA (LORELEI), Google, Microsoft, Amazon, Mitsubishi Electric, and MERL
DOI: 10.17863/cam.68953
title: Research data supporting: "Conformational Energy Landscape of the Ritonavir Molecule"

description: pathsample: This directory contains the converged stationary point databases for ritonavir which were used for the rate calculations, as well as the generation of the disconnectivity graphs. The Intel Fortran compiler, version 13.1 (64 bit) was used to compile OPTIM and PATHSAMPLE. (1) min.data -&gt; database of minima (2) ts.data -&gt; database of transition states (3) points.min -&gt; structures of all the minima in the database. (4) points.ts -&gt; structures of all the transition states in the database. (5) odata.connect -&gt; Input file for running OPTIM connections (6) pathdata -&gt; PATHSAMPLE input file (7) coords.prmtop -&gt; AMBER topology file (8) coords.inpcrd -&gt; AMBER coordinate file (9) min.in -&gt; AMBER specific input file for computing single point energies (10) min.A -&gt; cis (form II) conformation (11) min.B -&gt; trans (form I) conformation. (12) EofS -&gt; The profile for the fastest path between the cis and trans polymorphs. Running PATHSAMPLE with the current keywords will compute the rate constant for cis trans conformational transition, at a regrouping threshold of 3.0 kcal/mol and temperature of 298 K (0.592 in units of kcal/mol). For sampling specific keywords please refer to the PATHSAMPLE and OPTIM user manuals. (See http://www-wales.ch.cam.ac.uk/PATHSAMPLE/ and http://www-wales.ch.cam.ac.uk/OPTIM/). For further queries please email Prof David J. Wales (dw34@cam.ac.uk). optim_gaussian_input: This directory contains the relevant input files for reoptimising the transition state using DFT at the B3LYP/6-31G(d) level using Gaussian 03 interfaced to the OPTIM code. (1) odata.g03.ts -&gt; OPTIM input file for reoptimisation of the transition state structure. (2) odata.g03.path -&gt; OPTIM input file for finding out the minima connected to the DFT transition state. (3) gaussian.name -&gt; atom names in the order they appear in the pdb/xyz files. (4) gaussian.inp.pre -&gt; information regarding the functional and basis sets used. OPTIM requires this file to create a Gaussian input on the fly. structures: This directory contains the structures that were reoptimised with DFT. They are in a format suitable for OPTIM calculations. These structures correspond to minima which are connected to at least two transition states and lie below monotonic sequences. gaussian_files: This directory contains subdirectories corresponding to each structure that was reoptimised with DFT. Within each subdirectory, the relevant input and output files can be found.
description: This work was supported by the ERC [grant number MAAG/837 RG59508].
DOI: 10.17863/cam.68954
title: Research data supporting "Energy Landscapes and Persistent Minima"

description: Kinetic transition networks (databases of connected stationary points on the potential energy surface) for dialanine and tetraalanine peptides, the 38-atom Lennard-Jones cluster, a 60-atom binary Lennard-Jones mixture, a 69-bead model protein, binding modes for influenza virus, and a UUCG RNA tetraloop. These networks, obtained in previous work, are analysed here using topological persistence, to obtain subsets of local minima and hence a reduced description of the underlying energy landscape.
description: This work was supported by the ERC [grant number 267369].
DOI: 10.17863/cam.68955
title: Research data supporting 'Facile synthesis of SnO2-PbS nanocomposites with controlled structure for applications in photocatalysis'.

description: This research data supports the publication "Facile Synthesis of SnO2-PbS Nanocomposites with Controlled Structure for Visible Light Photocatalysis", which is published in 'Nanoscale'. Synthetic and analytical data for SnO2 nanoparticles, PbS nanocubes and SnO2-PbS nanocomposites prepared in Cambridge in 2014-2015. Analysis includes X-ray diffraction data and Rietveld refinement, transmission electron microscopy, Raman spectroscopy, X-ray photoelectron spectroscopy, Brunauer-Emmett-Teller (BET) surface area analysis. Photocatalytic data is presented for each material for the degradation of Rhodamine B in aqueous solution.
description: This work was supported by the Royal Society [grant number NF130808 (RS)], the EPSRC grant number [EP/J500380/1 (EPSRC)] and the Canada Foundation for Innovation.