cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17028/rd.lboro.15111870
title: Research Data for "The role of excited-state character, structural relaxation, and symmetry breaking in enabling delayed fluorescence activity in push-pull chromophores"

description: Research data underlying the manuscript "The role of excited-state character, structural relaxation, and symmetry breaking in enabling delayed fluorescence activity in push-pull chromophores" by P. Kimber, P. Goddard, I. A. Wright, and F. Plasser.<br>Content (names of folders and files are given in <b>bold face</b>)<br>Computations were performed on Cz-AQ (<b>AQ</b>), Cz-BDT <b>BDT</b>), Cz-BDF (<b>BDF</b>), Cz-BDT-SO2 (<b>BDT-SO2</b>) as defined in the text.<br>These folders contain subfolders for:- <b>OPT.wB97X-V</b>: Geometry optimisation at the wB97X-V level using <b>Ci</b> and <b>C2</b> symmetry<br>- <b>VEX</b>: Vertical excitations in gas phase using the methods described in the text- <b>EX_OPT_wPBEh</b>: Optimisation of excited state minima in solution using LR-PCM including vertical excitations (<b>VEX</b>) at the optimised geometries- <b>state-specific-solvation</b>: ptSS, SS-PCM, and UKS/PCM single point jobs as defined in the text<br>The folders contain the following files- <b>coord.qcin</b>: Input geometry for Q-Chem- <b>final.xyz</b>: Final geometry after geometry optimisation- <b>qchem.in</b>: Input file for Q-Chem- <b>qchem.out</b>: Output file for Q-Chem<br>
DOI: 10.17028/rd.lboro.15111870.v1
title: Research Data for "The role of excited-state character, structural relaxation, and symmetry breaking in enabling delayed fluorescence activity in push-pull chromophores"

description: Research data underlying the manuscript "The role of excited-state character, structural relaxation, and symmetry breaking in enabling delayed fluorescence activity in push-pull chromophores" by P. Kimber, P. Goddard, I. A. Wright, and F. Plasser.<br>Content (names of folders and files are given in <b>bold face</b>)<br>Computations were performed on Cz-AQ (<b>AQ</b>), Cz-BDT <b>BDT</b>), Cz-BDF (<b>BDF</b>), Cz-BDT-SO2 (<b>BDT-SO2</b>) as defined in the text.<br>These folders contain subfolders for:- <b>OPT.wB97X-V</b>: Geometry optimisation at the wB97X-V level using <b>Ci</b> and <b>C2</b> symmetry<br>- <b>VEX</b>: Vertical excitations in gas phase using the methods described in the text- <b>EX_OPT_wPBEh</b>: Optimisation of excited state minima in solution using LR-PCM including vertical excitations (<b>VEX</b>) at the optimised geometries- <b>state-specific-solvation</b>: ptSS, SS-PCM, and UKS/PCM single point jobs as defined in the text<br>The folders contain the following files- <b>coord.qcin</b>: Input geometry for Q-Chem- <b>final.xyz</b>: Final geometry after geometry optimisation- <b>qchem.in</b>: Input file for Q-Chem- <b>qchem.out</b>: Output file for Q-Chem<br>
DOI: 10.5281/zenodo.5705159
title: Mormyrops attenuatus SPAdes preassembly

description: .
DOI: 10.5281/zenodo.5705158
title: Mormyrops attenuatus SPAdes preassembly

description: .
DOI: 10.5517/ccdc.csd.cc27lyg8
title: CCDC 2073790: Experimental Crystal Structure Determination

description: Related Article: Ye-Cheng Wang, Chengsen Cui, Mingji Dai|2021|Angew.Chem.,Int.Ed.|60|24828|doi:10.1002/anie.202109625
DOI: 10.5517/ccdc.csd.cc27wl4w
title: CCDC 2082088: Experimental Crystal Structure Determination

description: Related Article: Qing Mao, Qian Zhao, Mu-Ze Li, Rui Qin, Meng-Lan Luo, Jing Xue, Ben-Hong Chen, Hai-Jun Leng, Cheng Peng, Gu Zhan, Bo Han|2021|J.Org.Chem.|86|14844|doi:10.1021/acs.joc.1c01631
DOI: 10.5281/zenodo.5705211
title: Supplementary materials for User Acceptance Factors of Usage-Based Insurance

description: <strong>Overview</strong> This is supplementary material for the paper <em>User Acceptance Factors of Usage-Based Insurance</em>. What is included: 01-survey-questionnaire.pdf - questionnaire used in the user study. 02-ubci-video-explanations.mp4 - a video with an explanation about Usage-Based Car Insurance, which we provided to participants in our user study. 03-SEM_Iteration-1-standardized.pdf - SEM analysis of the theoretical model, including the standardized coefficient. 04-SEM_Iteration-1-unstandardized.pdf - SEM analysis of the theoretical model, including the unstandardized coefficient. 05-SEM_Iteration-22-standardized.pdf - SEM analysis of the refined model, including the standardized coefficient. 06-SEM_Iteration-22-unstandardized.pdf - SEM analysis of the refined model, including the unstandardized coefficient. 07-linear-regression.pdf - interactors / moderators analysis.
DOI: 10.18434/mds2-2293
title: Software for solving large-scale generalized eigenvalue problems on distributed computers.
DOI: 10.5281/zenodo.5704545
title: Underlying data / Hydrothermal carbonization as an alternative sanitation technology: process optimization and development of low-cost reactor

description: Experimental data of a research publication "Hydrothermal carbonization as an alternative sanitation technology: process optimization and development of low-cost reactor" is provided. <strong>Background:</strong> The provision of safe sanitation services is essential for human well-being and environmental integrity, but it is often lacking in less developed communities with insufficient financial and technical resources. Hydrothermal carbonization (HTC) has been suggested as an alternative sanitation technology, producing value-added products from faecal waste. We evaluated the HTC technology for raw human waste treatment in terms of resource recovery. In addition, we constructed and tested a low-cost HTC reactor for its technical feasibility. <strong>Methods: </strong>Raw human faeces were hydrothermally treated in a mild severity range (≤ 200 °C and ≤ 1 hr). The total energy recovery was analysed from the energy input, higher heating value (HHV) of hydrochar and biomethane potential of process water. The nutrient contents were recovered through struvite precipitation employing process water and acid leachate from hydrochar ash. A bench-scale low-cost reactor (BLR) was developed using widely available materials and tested for human faeces treatment. <strong>Results: </strong>The hydrochar had HHVs (23.2 - 25.2 MJ / kg) comparable to bituminous coal. The calorific value of hydrochar accounted for more than 90 % of the total energy recovery. Around 78 % of phosphorus in feedstock was retained in hydrochar ash, while 15 % was in process water. 72 % of the initial phosphorus can be recovered as struvite when deficient Mg and NH<sub>4</sub> are supplemented. The experiments with BLR showed stable operation for faecal waste treatment with an energy efficiency comparable to a commercial reactor system. <strong>Conclusions: </strong> This research presents a proof of concept for the hydrothermal treatment of faecal waste as an alternative sanitation technology, by providing a quantitative evaluation of the resource recovery of energy and nutrients. The experiments with the BLR demonstrate the technical feasibility of the low-cost reactor and support its further development on a larger scale to reach practical implementation
DOI: 10.18434/mds2-2303
title: Supplemental Data for "Constraining the decline of the lunar dynamo field at ? 3.1 Ga through paleomagnetic analysis of Apollo 12 mare basalts"
DOI: 10.18434/mds2-2304
title: Albatross Species Chemical Database and Annotated Bibliography
DOI: 10.18434/mds2-2307
title: Dataset: Extracted Quotes from Community Reports Relevant to the Development of a NIST-MML Materials Data Strategy
DOI: 10.15468/77k2xw
title: Contribution to knowledge of the Trichoptera of northwestern Algeria: New species records for the Algerian fauna and taxonomic remarks for the Maghreb fauna

description: This dataset contains the digitized treatments in Plazi based on the original journal article Bemmoussat-Dekkak, Soumya, Abdellaoui-Hassaine, Karima, Sartori, Michel, Zamora-Muñoz, Carmen (2021): Contribution to knowledge of the Trichoptera of northwestern Algeria: New species records for the Algerian fauna and taxonomic remarks for the Maghreb fauna. Zootaxa 5068 (2): 186-210, DOI: https://doi.org/10.11646/zootaxa.5068.2.2
DOI: 10.5525/gla.researchdata.1218
title: Catchment Project: Philippines Catchment and Stream Network GIS database
DOI: 10.6084/m9.figshare.16862617
title: original data (Triggering drug release..).zip

description: anti-bacterial; hydrogel; TA;PB;PAAM<br>
DOI: 10.6084/m9.figshare.16862617.v3
title: original data (Triggering drug release..).zip

description: anti-bacterial; hydrogel; TA;PB;PAAM<br>
DOI: 10.6084/m9.figshare.16862617.v2
title: original data (Triggering drug release..).zip

description: anti-bacterial<br>
DOI: 10.5281/zenodo.5705265
title: NanoMax experiment Nov 2021

description: NanoMax experiment Nov 2021
DOI: 10.5281/zenodo.5705264
title: NanoMax experiment Nov 2021

description: NanoMax experiment Nov 2021
DOI: 10.15468/u6tv2n
title: Caractérisation acoustique des différentes espèces du genre Phaneroptera Audinet-Serville, 1831 en Europe occidentale, et description d’une nouvelle espèce cryptique en France et en Espagne (Orthoptera, Tettigoniidae, Phaneropterinae)

description: This dataset contains the digitized treatments in Plazi based on the original journal article Barataud, Julien (2021): Caractérisation acoustique des différentes espèces du genre Phaneroptera Audinet-Serville, 1831 en Europe occidentale, et description d’une nouvelle espèce cryptique en France et en Espagne (Orthoptera, Tettigoniidae, Phaneropterinae). Zoosystema 43 (29): 691-727, DOI: 10.5252/zoosystema2021v43a29
DOI: 10.5281/zenodo.5679560
title: Pre-processed data of atlas in EUCP-WP2

description: <strong>Preprocessed data of Atlas in EUCP-WP2</strong> We provide some notebooks that check the original/raw data, fix/add the metadata using CF-conventions https://cfconventions.org/Data/cf-conventions/cf-conventions-1.9/cf-conventions.html and save data in a NetCDF format. See https://github.com/eucp-project/atlas/blob/main/python/README.md. The pre-processed data follows the following standards: <strong>coordinates</strong> climatology_bounds (climatology_bounds) datetime64[ns] ['2050-06-01', '2050-09-01', '2050-12-01', '2051-03-01'] time (time) (datetime64[ns]) [2050-07-16 2051-01-16] # "JJA", "DJF" latitude (lat) (float64) [30, ..., 75] longitude (lon) (float64) [-10, ..., 40] percentile (percentile) (int64) [10, 25, 50, 75, 90] <strong>variables</strong> tas (time, latitude, longitude, percentile) (float64) pr (time, latitude, longitude, percentile) (float64) <strong>attributes</strong> The attributes of variables and coordinates are defined as: "tas": {<br> "description": "Change in Air Temperature",<br> "standard_name": "Change in Air Temperature",<br> "long_name": "Change in Near-Surface Air Temperature",<br> "units": "K",<br> "cell_methods": "time: mean changes over 20 years 2041-2060 vs 1995-2014",<br> }, "pr": {<br> "description": "Relative precipitation",<br> "standard_name": "Relative precipitation",<br> "long_name": "Relative precipitation",<br> "units": "%",<br> "cell_methods": "time: mean changes over 20 years 2041-2060 vs 1995-2014",<br> }, "latitude": {"units": "degrees_north", "long_name": "latitude", "axis": "Y"}, "longitude": {"units": "degrees_east", "long_name": "longitude", "axis": "X"}, "time": {<br> "climatology": "climatology_bounds",<br> "long_name": "time",<br> "axis": "T",<br> "climatology_bounds": ["2050-6-1", "2050-9-1", "2050-12-1", "2051-3-1"],<br> "description": "mean changes over 20 years 2041-2060 vs 1995-2014. The mid point 2050 is chosen as the representative time.",<br> }, "percentile": {"units": "%", "long_name": "percentile", "axis": "Z"}, The attributes of the data is defined as: "description": "Contains modified <code>institute</code> <code>method</code> data used for Atlas in EUCP project.", "history": "original <code>institute</code> <code>method</code> data files ...", <strong>output file names</strong> output_file_name = <code>prefix_activity_institution-id_source_method_sub-method_cmor-var</code> example: atlas_EUCP_CNRM_CMIP6_KCC_cons_tas.nc <strong>Reference</strong>: https://eucp-project.github.io/atlas/about
DOI: 10.34740/kaggle/dsv/2819433
title: PONE-D-21-28777R1
DOI: 10.18434/mds2-2333
title: PROperties of FIre Suppressant SYstems: "PROFISSY" - A Spreadsheet Application for Fire-Suppressant Bottle-Filling Calculations
DOI: 10.5281/zenodo.4382337
title: Gene Regulatory Network inference in long lived C.elegans reveals modular properties that are predictive of novel ageing genes - Database of Physical gene-gene Interactions in young adult C.elegans.

description: This repository contains Supplementary Information for manuscript Suriyalaksh et al Gene Regulatory Network inference in long lived C.elegans reveals modular properties that are predictive of novel ageing genes corresponding to the curation of physical gene-gene interactions for young adult C elegans worms We manually curated 239,001 regulatory interactions from 289 young adult wild-type (WT) C.elegans datasets, consisting of 126 genes and 495 unique transcription factors (see TableS1_datasets_for_prior.csv for references). This repository contains 3 different files: TableS1_datasets_for_prior.csv - contains datasets used as sources for physical gene-gene or TF-gene interactions TableS2_physical_priors.xlsx - contains three tabs:<br> ChIPATAC - contains physical TF-gene interactions from 115 L4 or young-adult ChIP-seq datasets from modERN (Kudron et al., 2018) + ChIP-seq datasets (GSE28350, GSE81521) from (Hochbaum et. al, 2011, Li et. al, 2016). eY1HATAC- contains 3,501 TF-gene interactions from eY1H assay by Fuxman Bass et al. (2016). motifATAC - contains 202 unique TF DNA recognition motifs using “direct evidence” option from CiS-BP motif database (Weirauch et al., 2014), obtained through RTFBSDB R package (Wang et al., 2016) - see TableS1 TableS3_WT_functional_priors.csv - contains functional knockdown data that we use as gold standard to validate inferred networks in Suriyalaksh et al. (see TableS1_datasets_for_prior.csv for sources) --- Description of methodology to obtain regulatory interactions in TableS2: Regulatory sequences for each gene were acquired from ENSEMBL (Aken et al., 2017), obtained using biomaRt R package (accessed on 31st Oct 2017). This study used WBcel235/ce11 version of the C. elegans genome, and WormBase WS260 genome annotations. For motifs, TFs whose motifs overlapped with an open ATAC-seq region by at least one base pair were kept. For ChIP-seq, TF binding sites that overlapped with an open ATAC-seq region by at least one base pair were kept using bedtools intersect and bedtools merge commands. An interaction from a TF to a gene was inferred by aligning transcription start sites (TSS) using bedtools window commands with 1000 bp window size to the TF-binding locations from ChIP-seq and motifs. For eY1H data, an interaction is included if the TSS site of the target gene overlaps with an open ATAC-seq region by at least one base pair. For gene-gene interactions, of the 298 studies compiled in WormExp v1.0 database (Yang et al, 2016, updated 27/07/16), 98 studies were included in the database spanning 126 different genes (see Table S1 in this repository).
DOI: 10.5281/zenodo.4382336
title: Gene Regulatory Network inference in long lived C.elegans reveals modular properties that are predictive of novel ageing genes - Database of Physical gene-gene Interactions in young adult C.elegans.

description: This repository contains Supplementary Information for manuscript Suriyalaksh et al Gene Regulatory Network inference in long lived C.elegans reveals modular properties that are predictive of novel ageing genes corresponding to the curation of physical gene-gene interactions for young adult C elegans worms We manually curated 239,001 regulatory interactions from 289 young adult wild-type (WT) C.elegans datasets, consisting of 126 genes and 495 unique transcription factors (see TableS1_datasets_for_prior.csv for references). This repository contains 3 different files: TableS1_datasets_for_prior.csv - contains datasets used as sources for physical gene-gene or TF-gene interactions TableS2_physical_priors.xlsx - contains three tabs:<br> ChIPATAC - contains physical TF-gene interactions from 115 L4 or young-adult ChIP-seq datasets from modERN (Kudron et al., 2018) + ChIP-seq datasets (GSE28350, GSE81521) from (Hochbaum et. al, 2011, Li et. al, 2016). eY1HATAC- contains 3,501 TF-gene interactions from eY1H assay by Fuxman Bass et al. (2016). motifATAC - contains 202 unique TF DNA recognition motifs using “direct evidence” option from CiS-BP motif database (Weirauch et al., 2014), obtained through RTFBSDB R package (Wang et al., 2016) - see TableS1 TableS3_WT_functional_priors.csv - contains functional knockdown data that we use as gold standard to validate inferred networks in Suriyalaksh et al. (see TableS1_datasets_for_prior.csv for sources) --- Description of methodology to obtain regulatory interactions in TableS2: Regulatory sequences for each gene were acquired from ENSEMBL (Aken et al., 2017), obtained using biomaRt R package (accessed on 31st Oct 2017). This study used WBcel235/ce11 version of the C. elegans genome, and WormBase WS260 genome annotations. For motifs, TFs whose motifs overlapped with an open ATAC-seq region by at least one base pair were kept. For ChIP-seq, TF binding sites that overlapped with an open ATAC-seq region by at least one base pair were kept using bedtools intersect and bedtools merge commands. An interaction from a TF to a gene was inferred by aligning transcription start sites (TSS) using bedtools window commands with 1000 bp window size to the TF-binding locations from ChIP-seq and motifs. For eY1H data, an interaction is included if the TSS site of the target gene overlaps with an open ATAC-seq region by at least one base pair. For gene-gene interactions, of the 298 studies compiled in WormExp v1.0 database (Yang et al, 2016, updated 27/07/16), 98 studies were included in the database spanning 126 different genes (see Table S1 in this repository).
DOI: 10.6084/m9.figshare.17007508
title: 333

description: This is the experimental data of the manuscript entitled "A New Remanufacturing System Scheduling Model with Diversified Reprocessing Routes Using a Hybrid Meta-heuristic Algorithm". All data are generated through computer simulation and saved in the file with csv format. The data are the simulation of the real-world case. There are seventeen instances for these experiments with various scales. The information of the datasets are shown in the csv document, including the category of end-of-life products, the number of end-of-life products, the type of damage to product components, the number of components of each type of damage and the routes they choose, the operations contained in each routes, and disassembly, reassembly, and the time spent in reprocessing each operation.
DOI: 10.6084/m9.figshare.17007508.v2
title: 333

description: This is the experimental data of the manuscript entitled "A New Remanufacturing System Scheduling Model with Diversified Reprocessing Routes Using a Hybrid Meta-heuristic Algorithm". All data are generated through computer simulation and saved in the file with csv format. The data are the simulation of the real-world case. There are seventeen instances for these experiments with various scales. The information of the datasets are shown in the csv document, including the category of end-of-life products, the number of end-of-life products, the type of damage to product components, the number of components of each type of damage and the routes they choose, the operations contained in each routes, and disassembly, reassembly, and the time spent in reprocessing each operation.
DOI: 10.6084/m9.figshare.17007508.v1
title: A New Remanufacturing System Scheduling Model with Diversified Reprocessing Routes Using a Hybrid Meta-heuristic Algorithm

description: This is the experimental data of the manuscript entitled "A New Remanufacturing System Scheduling Model with Diversified Reprocessing Routes Using a Hybrid Meta-heuristic Algorithm". All data are generated through computer simulation and saved in the file with csv format. The data are the simulation of the real-world case. There are seventeen instances for these experiments with various scales. The information of the datasets are shown in the csv document, including the category of end-of-life products, the number of end-of-life products, the type of damage to product components, the number of components of each type of damage and the routes they choose, the operations contained in each routes, and disassembly, reassembly, and the time spent in reprocessing each operation.
DOI: 10.15468/wq32cc
title: A review of the genus Spilomena Shuckard (Hymenoptera: Crabronidae) with the description of six new species from India

description: This dataset contains the digitized treatments in Plazi based on the original journal article Rajan, Tessy, Kumar, P. Girish, Sureshan, P. M., Binoy, C. (2021): A review of the genus Spilomena Shuckard (Hymenoptera: Crabronidae) with the description of six new species from India. Zootaxa 5068 (2): 263-276, DOI: https://doi.org/10.11646/zootaxa.5068.2.6
DOI: 10.18434/mds2-2343
title: Carbon Dioxide Mole Fraction Measurements and Model Output in the Northeast Corridor: Baltimore/Washington and Los Angeles Megacity for Jan-May 2018, Jan-May 2019, and Jan-May 2020.
DOI: 10.6084/m9.figshare.17026508
title: Final data collection.xlsx

description: Data linked to the article : A Cross-cultural meta-analysis of the relationship between search for meaning, presence of meaning, and well-being
DOI: 10.6084/m9.figshare.17026508.v1
title: Final data collection.xlsx

description: Data linked to the article : A Cross-cultural meta-analysis of the relationship between search for meaning, presence of meaning, and well-being
DOI: 10.25721/p911-2p90
title: Essai
DOI: 10.25721/sfb7-4t43
title: Valse
DOI: 10.18434/mds2-2336
title: precisionFDA Truth Challenge V2: Calling variants from short- and long-reads in difficult-to-map regions
DOI: 10.25721/16y3-7r95
title: Bourrée
DOI: 10.25721/khxc-yz47
title: Bourrée
DOI: 10.25721/pee8-3217
title: Bourrée
DOI: 10.25721/rmjv-x292
title: La Mouraillado
DOI: 10.25411/aru.17026565
title: Energy-SHIFTS Working Group 3 - Energy Efficiency

description: The Energy-SHIFTS Working Groups provided SSH research priority recommendations for four specific (SET-Plan focussed) energy topics. Members were leading energy-SSH researchers, representing wider disciplinary research communities e.g. via leadership of research groups/institutes, Horizon 2020 energy projects, and/or editorial roles for journals.<br><br>The Working Groups produced a number of streams of data, including 10 interviews each, and surveys of hundreds of SSH scholars across Europe. Interview and survey protocols were also published by the project (see reference).
DOI: 10.15468/u2nmru
title: A new species in the genus Chadisra Walker (Notodontidae: Periergosinae) from the Great Nicobar Island, India

description: This dataset contains the digitized treatments in Plazi based on the original journal article Singh, Navneet, Ahmad, Jalil, Raha, Angshuman (2021): A new species in the genus Chadisra Walker (Notodontidae: Periergosinae) from the Great Nicobar Island, India. Zootaxa 5068 (2): 277-286, DOI: https://doi.org/10.11646/zootaxa.5068.2.7
DOI: 10.25411/aru.17026565.v1
title: Energy-SHIFTS Working Group 3 - Energy Efficiency

description: The Energy-SHIFTS Working Groups provided SSH research priority recommendations for four specific (SET-Plan focussed) energy topics. Members were leading energy-SSH researchers, representing wider disciplinary research communities e.g. via leadership of research groups/institutes, Horizon 2020 energy projects, and/or editorial roles for journals.<br><br>The Working Groups produced a number of streams of data, including 10 interviews each, and surveys of hundreds of SSH scholars across Europe. Interview and survey protocols were also published by the project (see reference).
DOI: 10.25721/9hpj-qa51
title: Bourrée