cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.6028197
title: KMC Models and CFD Simulations for Catalytic CO Oxidation over RuO2

description: The large tar.gz file (~15GB) has the CFD Data Set for CFD Simulations for Catalytic CO Oxidation over RuO2 associated with the publication: doi: 10.1021/acscatal.8b00713 , https://pubs.acs.org/doi/abs/10.1021/acscatal.8b00713 The smaller zip file(s) have the KMC model creation files, which are actually from this publication: https://doi.org/10.1088/1361-648X/aacb6d https://iopscience.iop.org/article/10.1088/1361-648X/aacb6d For the 110 KMC file, it must be compiled using the lat_int backend of kmos. The xml file generated takes less than an hour, though the exporting (compiling) may take 5 to 10 hours. With lateral interactions, the 110 xml file is &gt;25MB. Without lateral interactions, the xml file is very small ( &lt;&lt; 1 MB). Setting the "upToDistance" to 0 for each reaction in the python file called CO_O_RuO2_110.py will create a 110 model without lateral interactions (currently the "upToDistance" is set at 1 for each reaction, and thus includes nearest neighbor interactions). How to compile the model requires reading the documentation for the KMC software. The final syntax is " kmos export -b lat_int CO_O_RuO2_110.xml " For the 111 KMC file, it should be compiled with the default ( local_smart ) backend of kmos. The lateral interactions are already included and cannot be easily turned off. The resulting files are small. How to compile the model requires reading the documentation for the KMC software. The final syntax is " kmos export -b local_smart CO_O_RuO2_111.xml " Primitive example KMC runfiles are included, which would need to be run in the compiled KMC model's directories, though current conventions of kmos simulations use more advanced runfiles.
DOI: 10.5281/zenodo.6028196
title: KMC Models and CFD Simulations for Catalytic CO Oxidation over RuO2

description: The large tar.gz file (~15GB) has the CFD Data Set for CFD Simulations for Catalytic CO Oxidation over RuO2 associated with the publication: doi: 10.1021/acscatal.8b00713 , https://pubs.acs.org/doi/abs/10.1021/acscatal.8b00713 The smaller zip file(s) have the KMC model creation files, which are actually from this publication: https://doi.org/10.1088/1361-648X/aacb6d https://iopscience.iop.org/article/10.1088/1361-648X/aacb6d For the 110 KMC file, it must be compiled using the lat_int backend of kmos. The xml file generated takes less than an hour, though the exporting (compiling) may take 5 to 10 hours. With lateral interactions, the 110 xml file is &gt;25MB. Without lateral interactions, the xml file is very small ( &lt;&lt; 1 MB). Setting the "upToDistance" to 0 for each reaction in the python file called CO_O_RuO2_110.py will create a 110 model without lateral interactions (currently the "upToDistance" is set at 1 for each reaction, and thus includes nearest neighbor interactions). How to compile the model requires reading the documentation for the KMC software. The final syntax is " kmos export -b lat_int CO_O_RuO2_110.xml " For the 111 KMC file, it should be compiled with the default ( local_smart ) backend of kmos. The lateral interactions are already included and cannot be easily turned off. The resulting files are small. How to compile the model requires reading the documentation for the KMC software. The final syntax is " kmos export -b local_smart CO_O_RuO2_111.xml " Primitive example KMC runfiles are included, which would need to be run in the compiled KMC model's directories, though current conventions of kmos simulations use more advanced runfiles.
DOI: 10.6084/m9.figshare.3761562.v2126
title: Online Labour Index: Measuring the Online Gig Economy for Policy and Research

description: Data repository for the data underlying the Online Labour Index. See http://ilabour.oii.ox.ac.uk online-labour-index/ for details.
DOI: 10.5517/ccdc.csd.cc27h856
title: CCDC 2070247: Experimental Crystal Structure Determination

description: Related Article: Xiunan Zhang, Jingkang Wang, Fei Yu, Xiaowei Cheng, Yunhui Hao, Yue Liu, Xin Huang, Ting Wang, Hongxun Hao|2022|CrystEngComm|24|854|doi:10.1039/D1CE01285A
DOI: 10.5517/ccdc.csd.cc28938z
title: CCDC 2094120: Experimental Crystal Structure Determination

description: Related Article: N. Ozdemir|2021|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc2847vj
title: CCDC 2089457: Experimental Crystal Structure Determination

description: Related Article: Aleksandra Kieliszek, Maura Malinska|2021|Cryst.Growth Des.|21|6862|doi:10.1021/acs.cgd.1c00773
DOI: 10.5517/ccdc.csd.cc2847th
title: CCDC 2089456: Experimental Crystal Structure Determination

description: Related Article: Aleksandra Kieliszek, Maura Malinska|2021|Cryst.Growth Des.|21|6862|doi:10.1021/acs.cgd.1c00773
DOI: 10.5517/ccdc.csd.cc2953sd
title: CCDC 2120083: Experimental Crystal Structure Determination

description: Related Article: Pip Catchpole, Rafal Kulmaczewski, Malcolm A. Halcrow|2021|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc29550p
title: CCDC 2120121: Experimental Crystal Structure Determination

description: Related Article: Alexandre Ziegelmeier, William J. Chain, Glenn P. A. Yap|2021|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc2955b0
title: CCDC 2120131: Experimental Crystal Structure Determination

description: Related Article: Andrew Peloquin, Colin McMillen, William Pennington|2021|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc2955h5
title: CCDC 2120136: Experimental Crystal Structure Determination

description: Related Article: Takumi Nakamura, Yasushi Yoshida, Takashi Mino, Masami Sakamoto*|2021|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc2955j6
title: CCDC 2120137: Experimental Crystal Structure Determination

description: Related Article: Takumi Nakamura, Yasushi Yoshida, Takashi Mino, Masami Sakamoto*|2021|CSD Communication|||
DOI: 10.26033/80fq-dn90
title: Catalina Sky Survey Bundle V1.0

description: The Catalina Sky Survey (CSS) bundle contains image data, ancillary data, and documentation generated by the survey. CSS has used multiple telescopes in Arizona and Australia to discover and follow-up Near Earth Objects (NEOs). NEOs are asteroids and comets that can approach the Earth. The survey continues to be conducted using telescopes and cameras on Mount Lemmon and Mount Bigelow in the Santa Catalina Mountains of the Coronado National Forest near Tucson, Arizona.
DOI: 10.5519/qd.epvtteeu
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1 records)
DOI: 10.5281/zenodo.6049569
title: Database + script

description: Database + script
DOI: 10.5281/zenodo.6049568
title: Database + script

description: Database + script
DOI: 10.6073/pasta/cb3309e27b258f0926963ec9c49df22b
title: SBC LTER: Reef: Kelp Forest Community Dynamics: Cover of sessile organisms, Uniform Point Contact

description: These data describe the cover of sessile invertebrates, understory macroalgae, and bottom substrate types as determined by a uniform point contact method. The presence of over 150 taxa of sessile invertebrates and macroalgae are recorded at 80 uniformly spaced points along permanent 40m x 2m transects. Multiple species can be recorded at any given point. Percent cover of a given species on a transect can be estimated from UPC observations as the fraction of total points at which that species was present x 100. The total percent cover of all species combined using this method can exceed 100%; however, the percent cover of any single species cannot exceed 100%. These data are part of SBC LTERs kelp forest monitoring program, which began in 2000 and was designed to track long-term patterns in species abundance and diversity of reef-associated organisms in the Santa Barbara Channel, California, USA. The sampling locations in this dataset include nine reef sites along the mainland coast of the Santa Barbara Channel and at two sites on the north side of Santa Cruz Island. These sites reflect several oceanographic regimes in the channel and vary in distance from sources of terrestrial runoff. Data collection began in 2000 and this dataset is updated annually. The time period of data collection varied among the 11 kelp forest sites. Sampling at BULL, CARP, and NAPL began in 2000, sampling at the other 6 mainland sites (AHND, AQUE, IVEE, GOLB, ABUR, MOHK) began in 2001 (transects 3, 5, 6, 7, 8 at IVEE were added in 2011). Data collection at the two Santa Cruz Island sites (SCTW and SCDI) began in 2004. See Methods for more information. The two tables in this data package include: 1) The percent cover of sessile invertebrate and understory macroalage; and 2) the percent cover of bottom substrate.
DOI: 10.5517/ccdc.csd.cc28xyhn
title: CCDC 2113192: Experimental Crystal Structure Determination

description: Related Article: Subham Ranjan, Satoshi Takamizawa|2021|CSD Communication|||
description: Related Article: Subham Ranjan, Satoshi Takamizawa|2021|Cryst.Growth Des.|22|585|doi:10.1021/acs.cgd.1c01141
DOI: 10.5517/ccdc.csd.cc2955l8
title: CCDC 2120139: Experimental Crystal Structure Determination

description: Related Article: Takumi Nakamura, Yasushi Yoshida, Takashi Mino, Masami Sakamoto*|2021|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc295m8d
title: CCDC 2120563: Experimental Crystal Structure Determination

description: Related Article: Sebastian Ullrich|2021|CSD Communication|||
description: Related Article: Sebastian Ullrich, Borislav Kovačević, Xiulan Xie, Jörg Sundermeyer|2019|Angew.Chem.,Int.Ed.|58|10335|doi:10.1002/anie.201903342
DOI: 10.5517/ccdc.csd.cc2960r9
title: CCDC 2120950: Experimental Crystal Structure Determination

description: Related Article: Yingying Xue, Zhuangzhuang Guo, Xiaoyu Chen, Jingya Li, Dapeng Zou, Yangjie Wu, Yusheng Wu|2022|Org.Biomol.Chem.|20|989|doi:10.1039/D1OB02318G
DOI: 10.5517/ccdc.csd.cc2968f7
title: CCDC 2121188: Experimental Crystal Structure Determination

description: Related Article: Marc Devillard, Marie Cordier, Thierry Roisnel, Chiara Dinoi, Iker Del Rosal, Gilles Alcaraz|2022|Chem.Commun.|58|1589|doi:10.1039/D1CC06365K
DOI: 10.5517/ccdc.csd.cc2968g8
title: CCDC 2121189: Experimental Crystal Structure Determination

description: Related Article: Marc Devillard, Marie Cordier, Thierry Roisnel, Chiara Dinoi, Iker Del Rosal, Gilles Alcaraz|2022|Chem.Commun.|58|1589|doi:10.1039/D1CC06365K
DOI: 10.5517/ccdc.csd.cc2968h9
title: CCDC 2121190: Experimental Crystal Structure Determination

description: Related Article: Marc Devillard, Marie Cordier, Thierry Roisnel, Chiara Dinoi, Iker Del Rosal, Gilles Alcaraz|2022|Chem.Commun.|58|1589|doi:10.1039/D1CC06365K
DOI: 10.6073/pasta/6a35aee7ab866f7542f1cc3bb4777960
title: SBC LTER: Reef: Kelp Forest Community Dynamics: Fish abundance

description: These data describe the abundance and size of fish species as part of SBCLTER's kelp forest monitoring program to track long-term patterns in species abundance and diversity. This study began in 2000 in the Santa Barbara Channel, California, USA. The abundance and size of all taxa of resident kelp forest fish encountered along permanent transects are recorded at nine reef sites located along the mainland coast of the Santa Barbara Channel and at two sites on the north side of Santa Cruz Island. These sites reflect several oceanographic regimes in the channel and vary in distance from sources of terrestrial runoff. In these surveys, fish were counted in either a 40x2m benthic quadrat, or in the water parcel 0-2m off the bottom over the same area. The two tables in this data package include: 1) The annual benthic fish community survey which was conducted on 11 reefs once a year around late July or early August; and 2) The monthly fish survey which was conducted once a month at a subset of the sites (3 of the annual sites) The time period of data collection for the annual benthic fish community survey varied among the 11 kelp forest sites. Sampling at BULL, CARP, and NAPL began in 2000, sampling at the other 6 mainland sites (AHND, AQUE, IVEE, GOLB, ABUR, MOHK) began in 2001 (transects 3, 5, 6, 7, 8 at IVEE were added in 2011). Data collection at the two Santa Cruz Island sites (SCTW and SCDI) began in 2004. The monthly fish survey at ABUR (Transect 1, 2, and 3), AQUE (Transect1), and MOHK (Transect 1) in 2002. The Transect 2 and 3 at ABUR were discontinued in June 2006. See Methods for more information.
DOI: 10.5517/ccdc.csd.cc2968jb
title: CCDC 2121191: Experimental Crystal Structure Determination

description: Related Article: Marc Devillard, Marie Cordier, Thierry Roisnel, Chiara Dinoi, Iker Del Rosal, Gilles Alcaraz|2022|Chem.Commun.|58|1589|doi:10.1039/D1CC06365K
DOI: 10.6073/pasta/407b0cef18b285a9c7758aa5167aa042
title: SBC LTER: Reef: Kelp Forest Community Dynamics: Invertebrate and algal density

description: These data describe the density and size of a select group of about 50 species of benthic invertebrates and understory algae in fixed plots (either 1m x 1m or 20m x 1m) along permanent transects. These data are part of SBCLTER’s kelp forest monitoring program to track long-term patterns in species abundance and diversity of reef-associated organisms in the Santa Barbara Channel, California, USA. The sampling locations in this dataset are at nine reef sites along the mainland coast of the Santa Barbara Channel and at two sites on the north side of Santa Cruz Island. These sites reflect several oceanographic regimes in the channel and vary in distance from sources of terrestrial runoff. Sampling began in 2000, and these data are updated annually. The time period of data collection varied among the 11 kelp forest sites. Sampling at BULL, CARP, and NAPL began in 2000, sampling at the other 6 mainland sites (AHND, AQUE, IVEE, GOLB, ABUR, MOHK) began in 2001 (transects 3, 5, 6, 7, 8 at IVEE were added in 2011). Data collection at the two Santa Cruz Island sites (SCTW and SCDI) began in 2004. See Methods for more information. See Methods for more information.
DOI: 10.6073/pasta/4a2cf9d8e429a0240d6e9bdd3c6909de
title: SBC LTER: Reef: Kelp Forest Community Dynamics: Cover of bottom substrate and sand depth

description: These data describe the percent cover of eight bottom substrate types as determined by a uniform point contact method. The type of bottom substrate is recorded at 80 uniformly spaced points along permanent 40m x 2m transects. Percent cover of each substrate type on a transect is estimated as the proportion of the 80 points contacted by that substrate type x 100. In cases where the substrate type is sand, the depth of the sand is measured. These data are part of the SBC LTER’s time series observations of kelp forest dynamics, which began in 2000 and was designed to track long-term patterns in species abundance and diversity of reef-associated organisms in the Santa Barbara Channel, California, USA. The sampling locations in this dataset include nine reef sites along the mainland coast of the Santa Barbara Channel and two on the north side of Santa Cruz Island. These 11 sites were chosen to reflect the wide range of oceanographic conditions present in the Channel and proximity to sources of terrestrial runoff. Data are collected at each site once per year in summer and this dataset is updated annually. The time period of data collection varied among the 11 reef sites. Sampling at BULL, CARP, and NAPL began in 2000, sampling at the other 6 mainland sites (AHND, AQUE, IVEE, GOLB, ABUR, MOHK) began in 2001 (transects 3, 5, 6, 7, 8 at IVEE were added in 2011). Data collection at the two Santa Cruz Island sites (SCTW and SCDI) began in 2004. The two tables in this data package include: 1) The percent cover of eight bottom substrate types; and 2) the sand depth of each sampling point (sand depth = 0 if substrate type ≠sand).
DOI: 10.5281/zenodo.6049685
title: Phylogenetic analysis results

description: Phylogenetic analysis results
DOI: 10.5281/zenodo.6049684
title: Phylogenetic analysis results

description: Phylogenetic analysis results
DOI: 10.6073/pasta/7c68585bac7d411002dce4fd244edfa2
title: SBC LTER: Kelp Removal Experiment: Hourly photon irradiance at the surface and seafloor, ongoing since 2008

description: These data represent mean hourly values of photosynthetically active radiation (PAR) (in units of mol m-2 s-1) at the sea surface and the sea floor at SBC LTER kelp removal experiment sites. Sensors record instantaneous irradiance at one-minute intervals, and data are averaged hourly. Sensors are mounted on the sea floor at five sites (Arroyo Quemado, Carpinteria, Naples Reef, Isla Vista, and Mohawk Reef). A surface sensor is deployed on an unobstructed coastal rooftop at the UC Santa Barbara campus; some historical observations are available from sensors mounted above the sea surface at a subset of the five sites.
DOI: 10.6084/m9.figshare.19164215
title: Data from content analysis of observation grids - pwID

description: Data from the content analysis of the observation grids, in the article "Empowerment through Participatory Game Creation: A Case Study with Adults with Intellectual Disability".
DOI: 10.6084/m9.figshare.19164218.v1
title: Statistical Analysis - pwID

description: Dataset for the statistical analysis of the article "Empowerment through Participatory Game Creation: A Case Study with Adults with Intellectual Disability".
DOI: 10.6084/m9.figshare.19164218
title: Statistical Analysis - pwID

description: Dataset for the statistical analysis of the article "Empowerment through Participatory Game Creation: A Case Study with Adults with Intellectual Disability".
DOI: 10.13012/b2idb-8103861_v1
title: Time-lapse Fluorescence Microscopy Images and Gene Expression Data of Single T-Cells Infected with a Minimal HIV Feedback Circuit under 1,806 Drug Treatments

description: Upon treatment removal, spontaneous and random reactivation of latently infected T cells remains a major barrier toward curing HIV. Due to its stochastic nature, fluctuations in gene expression (or “noise”) can bias HIV reactivation from latency, and conventional drug screens for mean gene expression neglect compounds that modulate noise. Here we present a time-lapse fluorescence microscopy image set obtained from a Jurkat T-cell line, infected with a minimal HIV gene circuit, treated with 1,806 small molecule compounds, and imaged for 48 hours. In addition, the single-cell time-dependent reporter dynamics (single-cell gene expression intensity and noise trajectories) extracted from the image dataset are included. Based on this dataset, a total of 5 latency promoting agents of HIV was found through further experimentation in Lu et al., PNAS 2021 (doi: 10.1073/pnas.2012191118). For a detailed description of the dataset, please refer to the readme file.
DOI: 10.5517/ccdc.csd.cc294qry
title: CCDC 2119710: Experimental Crystal Structure Determination

description: Related Article: Hiroki Ishikawa, Yasushi Yoshida, Takashi Mino, Masami Sakamoto*|2021|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc294qsz
title: CCDC 2119711: Experimental Crystal Structure Determination

description: Related Article: Hiroki Ishikawa, Yasushi Yoshida, Takashi Mino, Masami Sakamoto*|2021|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc294sy6
title: CCDC 2119778: Experimental Crystal Structure Determination

description: Related Article: Hiroki Ishikawa, Yasushi Yoshida, Takashi Mino, Masami Sakamoto*|2021|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc294qw2
title: CCDC 2119714: Experimental Crystal Structure Determination

description: Related Article: Hiroki Ishikawa, Yasushi Yoshida, Takashi Mino, Masami Sakamoto*|2021|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc294qx3
title: CCDC 2119715: Experimental Crystal Structure Determination

description: Related Article: Hiroki Ishikawa, Yasushi Yoshida, Takashi Mino, Masami Sakamoto*|2021|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc294v6j
title: CCDC 2119817: Experimental Crystal Structure Determination

description: Related Article: Izar Capel Berdiell, Malcolm A. Halcrow|2021|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc294v7k
title: CCDC 2119818: Experimental Crystal Structure Determination

description: Related Article: Izar Capel Berdiell, Malcolm A. Halcrow|2021|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc294v8l
title: CCDC 2119819: Experimental Crystal Structure Determination

description: Related Article: Izar Capel Berdiell, Malcolm A. Halcrow|2021|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc294v9m
title: CCDC 2119820: Experimental Crystal Structure Determination

description: Related Article: Izar Capel Berdiell, Malcolm A. Halcrow|2021|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc28xygm
title: CCDC 2113191: Experimental Crystal Structure Determination

description: Related Article: Subham Ranjan, Satoshi Takamizawa|2021|CSD Communication|||
description: Related Article: Subham Ranjan, Satoshi Takamizawa|2021|Cryst.Growth Des.|22|585|doi:10.1021/acs.cgd.1c01141
DOI: 10.5517/ccdc.csd.cc295hxx
title: CCDC 2120459: Experimental Crystal Structure Determination

description: Related Article: Bin Cheng|2021|CSD Communication|||
description: Related Article: Biwei Zhang, Hongjian Yang, Taimin Wang, Xuanzhen Han, Haiyan Sun, Lijing Fang, Hongbin Zhai, Bin Cheng|2021|J.Org.Chem.|86|18304|doi:10.1021/acs.joc.1c02434
DOI: 10.5517/ccdc.csd.cc2976g7
title: CCDC 2122088: Experimental Crystal Structure Determination

description: Related Article: Ahreum Kim, Junsoo Moon, Chanhee Lee, Jayoung Song, Jongchan Kim, Yongseok Kwon|2022|Org.Lett.|24|1077|doi:10.1021/acs.orglett.1c04330
DOI: 10.5517/ccdc.csd.cc297cvs
title: CCDC 2122255: Experimental Crystal Structure Determination

description: Related Article: Krishna Gnyawali, Pandula T. Kirinde Arachchige, Chae S. Yi|2021|Org.Lett.|24|218|doi:10.1021/acs.orglett.1c03870
DOI: 10.5517/ccdc.csd.cc297frr
title: CCDC 2122314: Experimental Crystal Structure Determination

description: Related Article: Zeng-Hui Zhang, Rui-Lian Lin, Xiang-Yun Yu, Li-Xia Chen, Zhu Tao, Xin Xiao, Gang Wei, Carl Redshaw, Jing-Xin Liu|2022|CrystEngComm|24|1035|doi:10.1039/D1CE01513C
DOI: 10.5517/ccdc.csd.cc297fss
title: CCDC 2122315: Experimental Crystal Structure Determination

description: Related Article: Zeng-Hui Zhang, Rui-Lian Lin, Xiang-Yun Yu, Li-Xia Chen, Zhu Tao, Xin Xiao, Gang Wei, Carl Redshaw, Jing-Xin Liu|2022|CrystEngComm|24|1035|doi:10.1039/D1CE01513C
DOI: 10.5517/ccdc.csd.cc297ftt
title: CCDC 2122316: Experimental Crystal Structure Determination

description: Related Article: Zeng-Hui Zhang, Rui-Lian Lin, Xiang-Yun Yu, Li-Xia Chen, Zhu Tao, Xin Xiao, Gang Wei, Carl Redshaw, Jing-Xin Liu|2022|CrystEngComm|24|1035|doi:10.1039/D1CE01513C
DOI: 10.5517/ccdc.csd.cc297kch
title: CCDC 2122426: Experimental Crystal Structure Determination

description: Related Article: Yin Zheng, Suihan Zhang, Kam-Hung Low, Weiwei Zi, Zhongxing Huang|2022|J.Am.Chem.Soc.|144|1951|doi:10.1021/jacs.1c12404
DOI: 10.6084/m9.figshare.19161665
title: Sharon

description: Assembly, binning and binning refining for Sharon metagenomic dataset
DOI: 10.6084/m9.figshare.19161653
title: IC9

description: Assembly, binning, binning refining of IC9 dataset
DOI: 10.6084/m9.figshare.19161653.v1
title: IC9

description: Assembly, binning, binning refining of IC9 dataset