cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7488/ds/1328
title: Adsorption Materials and Processes for Carbon Capture from Gas-Fired Power Plants- AmpGas

description: The key challenge in post combustion capture from gas fired power plants is related to the low CO2 concentration in the flue gas (4 to 8% by volume). This means that conventional amine processes will result in a relatively high energy penalty while novel adsorbents and adsorption processes have the potential to improve the efficiency of separation. High-selectivity adsorbents are required to achieve relatively high CO2 uptake at low partial pressures, which means that the separation process should be based on either very strong physisorption or chemisorption with thermal regeneration. From the process point of view, the main challenge is to develop efficient separation processes with rapid thermal cycles. In the associated paper, the authors present a detailed overview of the methodology behind the development of novel materials and processes as part of the “Adsorption Materials and Processes for Gas fired power plants” (AMPGas) project. Examples from a wide variety of materials tested are presented and the design of an innovative bench scale 12-column Rotary Wheel Adsorber system is discussed. The strategy to design, characterise and test novel materials (zeolites, amine-containing MOFs, amine-based silicas, amine-based activated carbons and carbon nanotubes), specifically designed for CO2 capture from dilute streams is presented.
description: Experimental data for figures in paper as specified. All files in plain text or Excel csv format.
DOI: 10.7488/ds/1560
title: Using the pimeloyl-CoA synthetase adenylation fold to synthesise fatty acid thioesters

description: Biotin is an essential vitamin in plants and mammals functioning as the carbon dioxide carrier within central lipid metabolism. Bacterial pimeloyl-CoA synthetase (PCAS) acts as a highly specific substrate selection gate ensuring the integrity of the carbon chain in biotin synthesis. PCAS catalyses the condensation of pimelic acid (C7 dicarboxylic acid) with CoASH in an ATP dependent manner to form pimeloyl-CoA, the first dedicated biotin building block. Multiple structures of Bacillus subtilis PCAS together capture all three substrates as well as the intermediate pimeloyl-adenylate and product pyrophosphate (PPi). The enzyme uses an internal ruler to select the correct dicarboxylic acid substrate. Site directed mutagenesis has rationalised both the catalytic mechanism and the surprising stability of the adenylate intermediate. Building on this understanding, PCAS has been engineered to synthesise high value heptanoyl (C7) and octanoyl (C8) mono carboxylic acid-CoA and C8 dicarboxylic- CoA products highlighting the synthetic potential of PCAS. Data relating to the publication Wang et al.
DOI: 10.6084/m9.figshare.20137247
title: primary mouse R26 RT bulk RNA-seq

description: Matrix of raw counts and matrix of TPM of RNA-seq data from 16 primary mouse RT (Smarcb1fl/fl;R26-CreERT2 strain). Data were processed using an in-house pipeline developed at the Institut Curie Bioinformatics Core Facility (available at <sub>https://github.com/bioinfo-pf-curie/RNA-seq</sub>) and the mouse reference genome mm10. Except, the first column which contains the gene name, columns correspond to sample names.
DOI: 10.7488/ds/100
title: Survey of Scottish Witchcraft, 1563 - 1736

description: The Survey of Scottish Witchcraft is the result of a two-year project funded by the Economic and Social Research Council (ESRC), grant no. R000239234. The primary goal of the project was to create a database of people accused of witchcraft in Scotland between 1563 and 1736. The database was designed to enable the public and academic researchers to examine biographical and social information about accused witches; cultural and sociological patterns of witchcraft belief and accusation; community, ecclesiastical and legal procedures of investigation and trial, national and regional variations; and the chronology and geography of witchcraft accusation and prosecution.
description: *.txt are the 38 Unicode (UTF-8) text database tables. witches_schema.sql is the SQL schema for the Witchcraft database. witchcraft_survey_2003v.mdb is the MS Access 2003 Witchcraft survey database. Witchcraftsurvey_download.pdf is the database documentaiton and description file.
DOI: 10.6084/m9.figshare.20137247.v1
title: primary mouse R26 RT bulk RNA-seq

description: Matrix of raw counts and matrix of TPM of RNA-seq data from 16 primary mouse RT (Smarcb1fl/fl;R26-CreERT2 strain). Data were processed using an in-house pipeline developed at the Institut Curie Bioinformatics Core Facility (available at <sub>https://github.com/bioinfo-pf-curie/RNA-seq</sub>) and the mouse reference genome mm10. Except, the first column which contains the gene name, columns correspond to sample names.
DOI: 10.7488/ds/1587
title: Wall temperature mapping with high resolution IR thermography during flow boiling in a PDMS microchannel with integrated pressure sensors

description: Data supporting the publication Korniliou et al 'Wall temperature mapping with high resolution IR thermography during flow boiling in a PDMS microchannel with integrated pressure sensors' (In submission).
description: Textfiles are included. The dataset are referred to the Figures of the publication 'Wall temperature mapping with high resolution IR thermography during flow boiling in a PDMS microchannel with integrated pressure sensors' .
DOI: 10.7488/ds/1724
title: Soil Dataset for the Jazira Region of Syria

description: Soil dataset is attributed with soil type, secondary soil type and soil code variables. Additional attributes include land use type, other land uses and tertiary land use activities. Derived from 1:500,000 Map in Mohammed Ilaiwa's thesis 'Contribution to the Knowledge of the Soils of Syria'. Additional information taken from W.J. van Liere: 'Syria - Classification and rational utilization of soils - Report to the government, Soil Survey of the Jezireh.' Food and Agricultural Organisation (FAO), 1965Soil map was copied to mylar and scanned to create a polygon coverage of the soil classes; included with this dataset is land-use attribute information. Each polygon was labeled and attributed with soil and land-use pattern values. GIS vector data. This dataset was first accessioned in the EDINA ShareGeo Open repository on 2010-06-30 and migrated to Edinburgh DataShare on 2017-02-20.
description: ESRI Shapefile
DOI: 10.7488/ds/1427
title: NiFe magnetic alloy test structures data
title: Test Structures for the Wafer Mapping and Correlation of the Properties of Electroplated Ferromagnetic Alloy Films

description: Data used for the following publication: "Test Structures for the Wafer Mapping and Correlation of the Properties of Electroplated Ferromagnetic Alloy Films" which will be published in IEEE Transactions on Semiconductor Manufacturing, volume 29, Issue 3. The abstract for the paper is as follows: This paper presents a method of electrically deter- mining the permeability of patterned, electroplated ferromagnetic alloys and brings together the simultaneous wafer mapping of relative permeability, electrical resistivity and mechanical strain of these electrodeposited films, as well as the layer thickness and alloy composition. The wafer mapping of all these properties is implemented using a set of simple, automated electrical and optical techniques that facilitate the quantification of the spatial correlation between different parameters. This enables the uniformity of conductive ferromagnetic films to be analysed and supports the optimization of the physical properties of these materials as well as the processes used to deposit them. Ca 484 data files in .csv format and Matlab code files. See README.TXT for subdirectory and file-naming structures.
DOI: 10.7488/ds/2002
title: Linking particle properties to dense suspension extrusion flow characteristics using discrete element simulations

description: Extrusion is a widely used process for forming suspensions and pastes into designed shapes, and is central to the manufacture of many products. In this article, the extrusion through a square-entry die of non-Brownian spheres suspended in Newtonian fluid is investigated using discrete element simulations, capturing individual particle-particle contacts and hydrodynamic interactions. The simulations reveal inhomogeneous velocity and stress distributions, originating in the inherent microstructure formed by the constituent particles. Such features are shown to be relevant to paste extrusion behaviour, such as extrudate swell. The pressure drop across the extruder is correlated with the extrudate flow rate, with the empirical fitting parameters being linked directly to particle properties such as surface friction, and processing conditions such as extruder wall roughness. Our model and results bring recent advances in suspension rheology into an industrial setting, laying foundations for future model development, predictive paste formulation and extrusion design.
DOI: 10.7488/ds/1373
title: [CrIII8MII6]n+ (MII = Cu, Co) face-centred, metallosupramolecular cubes

description: Four [CrIII8MII6]n+ (MII = Cu, Co) coordination cubes of formulae [Cr8Co6L24Cl12] (1), [Cr8Co6L24(SCN)12] (2), [Cr8Cu6L24(H2O)12](SO4)6 (3), and [Cr8Cu6L24Cl12] (4) (where HL is 1-(4-pyridyl)butane-1,3-dione), were synthesised using the [CrIIIL3] metalloligand in combination with a variety of MII salts.
DOI: 10.7488/ds/1869
title: Post Office Plan of Edinburgh and Leith - 1905

description: Georeferenced map of " Post Office plan " By W. A.K. Johnston (1905/1906) as part of the Visualising Urban Geographies project- view other versions of the map at http://geo.nls.uk/urbhist/resources_maps.html. Scanned from original paper map and georeferenced by The National Library Of Scotland. Scanned map. This dataset was first accessioned in the EDINA ShareGeo Open repository on 2011-09-16 and migrated to Edinburgh DataShare on 2017-02-21.
description: ESRI Shapefile
DOI: 10.7488/ds/1727
title: Supermarkets in Sheffield

description: Point location of supermarkets in Sheffield. GIS vector data. This dataset was first accessioned in the EDINA ShareGeo Open repository on 2010-06-30 and migrated to Edinburgh DataShare on 2017-02-21.
description: ESRI Shapefile
DOI: 10.6084/m9.figshare.20134535
title: primary ATRT single cell RNA-seq

description: Seurat object stored in RDS file format. Three fresh tumor samples (respectively from INI254, INI255 and INI267) were prepared and loaded in 10x Chromium instrument (10x Genomics). Libraries were prepared using a Single Cell 3’ Reagent Kit (V2 chemistry, 10X Genomics) and sequenced on an Illumina HiSeq2500 using paired-end 26x98 bp as sequencing mode, targeting at least 50 000 reads par cell. Mapping and UMI counting per gene were performed using cellranger tool (version 3.1.0) and the hg19 reference genome version. Cells with both a low number of genes and a high proportion of mitochondrial RNA were discarded. The threshold of the minimum number of detected genes was set as the 5th percentile of the distribution of the number of detected genes in all cells while the maximum proportion of mitochondrial genes were set by visual inspection of the plot of the number of detected genes versus the percentage of mitochondrial gene of each sample. scRNA-seq data integration was performed using the CCA-based implemented in Seurat version 3. The clustering was conducted using the graph-based modularity optimization Louvain algorithm implemented in Seurat v3. The resolution 0.2 (integrated_snn_res.0.2) was choosen for the final result.
DOI: 10.7488/ds/1365
title: g-BAOAB source files

description: The files included here are the code files needed to implement the geodesic integration schemes relevant to the manuscript: "Efficient molecular dynamics using geodesic integration and solvent-solute splitting" (Proceedings of the Royal Society, 2016).
DOI: 10.7488/ds/1353
title: SFX as a low-cost ‘Spiro’ Hole-Transport Material for efficient Perovskite Solar Cells

description: Four spiro[fluorene-9,9′-xanthene] (SFX) derivatives, SFX-TAD, SFX-TCz, SFX-TPTZ and SFX-MeOTAD have been synthesized for use as hole-transport materials and fully characterized by 1H/13C NMR spectroscopy, mass spectrometry, XRD and DSC. Their thermal, optical and electrochemical properties were investigated. The use of different substituents affects the highest occupied molecular orbital (HOMO) energy level proving the versatility of the central core towards the facile and low-cost preparation of spiro-hole-transport materials. Among the synthesized SFX derivatives, SFX-MeOTAD was employed as hole-transporting material (HTM) and the performance tested in perovskite solar cells with device architecture glass/FTO/compact TiO2/mesoporous Al2O3/CH3NH3PbI3-xClx/HTM/Au. SFX-MeOTAD gave a comparable efficiency to Spiro-MeOTAD, demonstrating great potential for use of the SFX family as cost effective and versatile hole conductors facilitating commercialization of perovskite solar cells (PSCs).
DOI: 10.7488/ds/2251
title: SUPERSEDED - Summary statistics for three depression phenotypes in UK Biobank

description: ## This item has been replaced by the one which can be found at https://doi.org/10.7488/ds/2314 ## Depression is a polygenic trait that causes extensive periods of disability and increases the risk of suicide, a leading cause of death in young people. Previous genetic studies have identified a number of common risk variants which have increased in number in line with increasing sample sizes. We conducted a genome-wide association study (GWAS) in the largest single population-based cohort to date, UK Biobank. This allowed us to estimate the effects of ≈ 8 million genetic variants in 320,000 people for three depression phenotypes: broad depression, probable major depressive disorder (MDD), and International Classification of Diseases (ICD, version 9 or 10)-coded MDD. Each phenotype was found to be significantly genetically correlated with the results from a previous independent study of clinically defined MDD. We identified 14 independent loci that were significantly associated (P &lt; 5 × 10-8) with broad depression, two independent variants for probable MDD, and one independent variant for ICD-coded MDD. Gene-based analysis of our GWAS results with MAGMA revealed 46 regions significantly associated (P &lt; 2.77 × 10-6) with broad depression, two significant regions for probable MDD and one significant region for ICD-coded MDD. Gene region-based analysis of our GWAS results with MAGMA revealed 59 regions significantly associated (P &lt; 6.02 × 10-6) with broad depression, of which 27 were also detected by gene-based analysis. Variants for broad depression were enriched in pathways for excitatory neurotransmission, mechanosensory behavior, postsynapse, neuron spine and dendrite. This study provides a number of novel genetic risk variants that can be leveraged to elucidate the mechanisms of MDD and low mood.
description: UKBiobank_broad_depression_170929.txt - Summary statistics for broad depression UKBiobank_probable_MDD_170929.txt - Summary statistics for probable MDD UKBiobank_icdcoded_MDD_170929.txt - Summary statistics for icd-coded MDD readme.txt - File descriptions
DOI: 10.7488/ds/371
title: Pore Shape Modification of a Microporous Metal-Organic Frame-work Using High Pressure: Accessing a New Phase with Oversized Guest Molecules

description: Pressures up to 0.8 GPa have been used to squeeze a range of sterically “oversized” C5–C8 alkane guest molecules into the cavities of a small-pore Sc-based metal–organic framework. Guest inclusion causes a pronounced reorientation of the aromatic rings of one-third of the terephthalate linkers, which act as “torsion springs”, resulting in a fully reversible change in the local pore structure. The study demonstrates how pressure-induced guest uptake can be used to investigate framework flexibility relevant to “breathing” behavior and to understand the uptake of guest molecules in MOFs relevant to hydrocarbon separation.
DOI: 10.7488/ds/1462
title: Data for Smith, Perfors, Feher, Samara, Swoboda & Wonnacott (forthcoming), ”Language learning, language use, and the evolution of linguistic variation”, to appear in Philosophical Transactions of the Royal Society B (forthcoming as of 9th August 2016)

description: readme.txt describes the structure of the two data files and provides context.
DOI: 10.7488/ds/1336
title: SUPERSEDED - Data from "Test Structures to support the Development and Process Verification of Microelectrodes for High Temperature Operation in Molten Salts"

description: # SUPERSEDED - This item has been replaced by the one which can be found at https://doi.org/10.7488/ds/2004. #
DOI: 10.7488/ds/1351
title: Metal-Metal Bonding in Uranium-Group 10 Complexes
DOI: 10.7488/ds/2054
title: Polymer Ultrapermeability from the Inefficient Packing of 2D Chains

description: See abstract.txt.
DOI: 10.7488/ds/232
title: Thimido

description: Please see abstract.docx.
DOI: 10.7488/ds/1362
title: Constrained interpolation data (modified time discretisation and extended adaptivity settings)

description: Numerical simulations of the two-dimensional lock-exchange problem, used in the study of mesh-to-mesh interpolation effects.
DOI: 10.7488/ds/1702
title: Data accompanying the manuscript "Mechanical interactions in bacterial colonies and the surfing probability of beneficial mutations"

description: Bacterial conglomerates such as biofilms and microcolonies are ubiquitous in nature and play an important role in industry and medicine. In contrast to well-mixed cultures routinely used in microbial research, bacteria in a microcolony interact mechanically with one another and with the substrate to which they are attached. Here, we use a computer model of a microbial colony of rod-shaped cells to investigate how physical interactions between cells determine their motion in the colony and how this affects biological evolution. We show that the probability that a faster-growing mutant 'surfs' at the colony's frontier and creates a macroscopic sector depends on physical properties of cells (shape, elasticity and friction). Although all these factors contribute to the surfing probability in seemingly different ways, their effects can be summarized by two summary statistics that characterize the front roughness and cell alignment. Our predictions are confirmed by experiments in which we measure the surfing probability for colonies of different front roughness. Our results show that physical interactions between bacterial cells play an important role in biological evolution of new traits, and suggest that these interactions may be relevant to processes such as de novo evolution of antibiotic resistance.
DOI: 10.7488/ds/320
title: Acoustic transitions in Khmer word-initial clusters: supplementary materials

description: This dataset contains production data (in CSV format) and accompanying R code to reproduce the analyses reported in Kirby, J. (2014). Acoustic transitions in Khmer word-initial clusters. In S. Fuchs et al. (Eds.), Proceedings of the 10th International Seminar on Speech Production (ISSP), pp. 230-233.
DOI: 10.7488/ds/1307
title: Single crystal X-ray diffraction data for Clostridium phytofermentans acylating aldehyde dehydrogenase Cphy1178

description: Single crystal X-ray diffraction data for protein Cphy1178_20, Clostridium phytofermentans acylating aldehyde dehydrogenase, deposited in the PDB as 4C3S. ## Note ## The .img and .run are created by the software running the cameras on which the X-ray images are collected. * “.run” are plain text files with details of the run number for the experiments. This file is in fact empty in this case. * “.img” files are binary images produced by CCD cameras manufactured by ADSC.
DOI: 10.7488/ds/2334
title: CARDAMOM panarctic retrievals 2000-2015

description: The panarctic CARDAMOM outputs are derived from 1°x1° degree model-data fusion (MDF) analysis for 2000-2015. In each pixel, the DALEC2 ecosystem model is constrained by MODIS Leaf Area Index, Northern Circumpolar Soil Carbon Database (Hugelius et al., 2013) and biomass estimates (Carvalhais et al., 2014) using a Monte-Carlo Markov Chain (MDF) method. DALEC2 and the MDF approach are described in Bloom and Williams (2015) and Bloom et al. (2016). This dataset includes four netCDF files which report pixel-wise mean annual land-atmosphere carbon fluxes, carbon allocation to plant parts, vegetation and dead organic matter carbon pool sizes and transit times. Files include the pixel-wise uncertainty by reporting the median value as well as bounds of the 95%, 90% and 50% confidence intervals. References - Bloom, A. A., Exbrayat, J.-F., van der Velde, I. R., Feng, L., & Williams, M. (2016). The decadal state of the terrestrial carbon cycle: Global retrievals of terrestrial carbon allocation, pools, and residence times. Proceedings of the National Academy of Sciences, 113(5), 1285–1290. https://doi.org/10.1073/pnas.1515160113 - Bloom, A. A., & Williams, M. (2015). Constraining ecosystem carbon dynamics in a data-limited world: integrating ecological “common sense” in a model–data fusion framework. Biogeosciences, 12(5), 1299–1315. https://doi.org/10.5194/bg-12-1299-2015 - Carvalhais, N., Forkel, M., Khomik, M., Bellarby, J., Jung, M., Migliavacca, M., … Reichstein, M. (2014). Global covariation of carbon turnover times with climate in terrestrial ecosystems. Nature, 514(7521), 213–217. https://doi.org/10.1038/nature13731 - Hugelius, G., Tarnocai, C., Broll, G., Canadell, J. G., Kuhry, P., & Swanson, D. K. (2013). The Northern Circumpolar Soil Carbon Database: spatially distributed datasets of soil coverage and soil carbon storage in the northern permafrost regions. Earth System Science Data, 5(1), 3–13. https://doi.org/10.5194/essd-5-3-2013
DOI: 10.7488/ds/1707
title: Experimental tidal turbine model external geometry CAD files and measurements data of tank tests carried out with that turbine model

description: Laboratory testing of tidal turbine models is an essential tool to investigate hydrodynamic interactions between turbines and the flow. Such tests can be used to calibrate numerical models and to estimate rotor loading and wake development to inform the design of full scale machines and array layout. This dataset provides CAD files describing the outer geometry of a highly instrumented turbine model developed as part of the X-MED project funded by the EPSRC (EP/ J010235/1). The model has a 1.2m diameter, three bladed horizontal axis rotor and is bottom mounted. The dataset also includes data measured during tank test of the model. The dataset is associated with the article 'Design and manufacture of a bed supported tidal turbine model for blade and shaft load measurement in turbulent flow and waves' by Payne, Stallard and Martinez published in 2017 in Renewable Energy (doi: https://doi.org/10.1016/j.renene.2017.01.068).
DOI: 10.7488/ds/1761
title: University of Southampton

description: This describes the locations of buildings and sites of the University of Southampton in the Summer of 2010. Converted from the RDF data. This dataset was first accessioned in the EDINA ShareGeo Open repository on 2010-09-03 and migrated to Edinburgh DataShare on 2017-02-21.
description: KML