cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2bcv4q
title: CCDC 2156333: Experimental Crystal Structure Determination

description: Related Article: Yuri Fukumoto, Tomohiro Umeno, Hina Kuramochi, Koichi Hamada, Shota Matsumoto, Noriko Suzuki, Kazuteru Usui, Akihiro Mizutani, Satoru Karasawa|2022|Org.Biomol.Chem.|20|4342|doi:10.1039/D2OB00546H
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2bcv7t
title: CCDC 2156336: Experimental Crystal Structure Determination

description: Related Article: Yuri Fukumoto, Tomohiro Umeno, Hina Kuramochi, Koichi Hamada, Shota Matsumoto, Noriko Suzuki, Kazuteru Usui, Akihiro Mizutani, Satoru Karasawa|2022|Org.Biomol.Chem.|20|4342|doi:10.1039/D2OB00546H
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2bcv8v
title: CCDC 2156337: Experimental Crystal Structure Determination

description: Related Article: Yuri Fukumoto, Tomohiro Umeno, Hina Kuramochi, Koichi Hamada, Shota Matsumoto, Noriko Suzuki, Kazuteru Usui, Akihiro Mizutani, Satoru Karasawa|2022|Org.Biomol.Chem.|20|4342|doi:10.1039/D2OB00546H
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2bcvyj
title: CCDC 2156358: Experimental Crystal Structure Determination

description: Related Article: Yuri Fukumoto, Tomohiro Umeno, Hina Kuramochi, Koichi Hamada, Shota Matsumoto, Noriko Suzuki, Kazuteru Usui, Akihiro Mizutani, Satoru Karasawa|2022|Org.Biomol.Chem.|20|4342|doi:10.1039/D2OB00546H
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2bqm5w
title: CCDC 2166688: Experimental Crystal Structure Determination

description: Related Article: Yi-Wen Wang, Meng-Hua Li, Shu-Quan Zhang, Xin Fang, Mei-Jin Lin|2022|Inorg.Chem.|61|8153|doi:10.1021/acs.inorgchem.2c00381
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc295y8q
title: CCDC 2120873: Experimental Crystal Structure Determination

description: Related Article: Xia Li, Jialin Xie, Zhenglin Du, Long Jiang, Guangqin Li, Sanliang Ling, Kelong Zhu|2022|Chemical Science|13|6291|doi:10.1039/D2SC01497A
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc25chvx
title: CCDC 2007059: Experimental Crystal Structure Determination

description: Related Article: Shuai Zhou, Xiaojuan Xu, Xu Zhu, Yu Zheng, Sufang Chen, Mingqiang Xue|2022|Org.Biomol.Chem.|20|4289|doi:10.1039/D2OB00640E
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2bmdbq
title: CCDC 2163593: Experimental Crystal Structure Determination

description: Related Article: Zhao-Feng Qiu, Zi-Qing Huang, Xiang-Yu Sun, Xiao-Yu Zhang, Shu-Man Zhao, Yue Zhao, Zheng-Liang Wang, Wei-Yin Sun|2022|J.Solid State Chem.|312|123243|doi:10.1016/j.jssc.2022.123243
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2bmd9p
title: CCDC 2163592: Experimental Crystal Structure Determination

description: Related Article: Zhao-Feng Qiu, Zi-Qing Huang, Xiang-Yu Sun, Xiao-Yu Zhang, Shu-Man Zhao, Yue Zhao, Zheng-Liang Wang, Wei-Yin Sun|2022|J.Solid State Chem.|312|123243|doi:10.1016/j.jssc.2022.123243
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.6084/m9.figshare.12546368
title: Indoor heat measurement data from low-income households in rural and urban South Asia

description: This file-set contains data on indoor and outdoor temperature measurements in five-study sites in the South Asian region. Two study sites focus on the rural part; Yavatmal and Jalna (Maharashtra, India) while Dhaka (Bangladesh), Delhi (India) and Faisalabad (Pakistan) focus on urban heat exposure.<br>The fileset consists of a total of <b>15 .csv</b> files. These are: <b>Faisalabad AWS Data.csv</b><b>Jalna AWS Data.csv</b><b>Yavatmal AWS Data.csv</b><b>Delhi AWS Data.csv</b><b>Dhaka AWS Data.csv</b><b>Yavatmal Indoor Data.csv</b><b>Delhi Indoor Data.csv</b><b>Dhaka Indoor Data.csv</b><b>Faisalabad Indoor Data.csv</b><b>Jalna Indoor Data.csv</b><b>Jalna Housing Structure Data.csv</b><b>Yavatmal Housing Structure Data.csv</b><b>Delhi Housing Structure Data.csv</b><b>Dhaka Housing Structure Data.csv</b><b>Faisalabad Housing Structure Data.csv</b><br>Additionally, four.doc files and one PDF file are included. <b>Informed Consent Form – WOTR.doc</b> is the informed consent form. The data file <b>Data Supplement.doc (as a readme file)</b>, contains tables explaining all the variables in the .csv files. README FILE 1- Housing Roofing Structure data, README FILE 2- Indoor Data Loggers, README FILE 3 - AWS Urban-Rural Area and README FILE 4 -Davis Installation Manual (PDF file)<br>Outdoor observations (air temperature, humidity, wind speed, and solar radiation) based on the Automated Weather Station (AWS), are contained in the 5 AWS .csv files.Indoor temperature measurements are contained in the 5 Indoor Data .csv files.Data on housing structure are contained in the 5 Housing Structure Data .csv files.<br><b>Study aims and methodology:</b> Rising temperatures have been causing distress across the world, but for those most vulnerable, it is a silent killer. Information about indoor air temperatures in residential buildings is of interest for a range of reasons, such as the health, indoor comfort of dwellers and coping practices. But to date, there have been only a few long-term studies that measure and characterize indoor air temperatures in a rural area.<br>Here, the authors have created a dataset on indoor and outdoor temperatures across rural and urban locations. The indoor and outdoor temperature and humidity measurements were taken in five study locations. Indoor and outdoor temperature measurements were carried out in Yavatmal and Jalna (Maharashtra, India), Delhi (India), Dhaka (Bangladesh) and Faisalabad (Pakistan). Two study sites focused on the rural areas: Yavatmal and Jalna (Maharashtra, India), while Delhi, Dhaka and Faisalabad focused on urban heat exposure.<br>These measurements were used to determine indoor heat exposure in different types of rural and urban settlements. This helped to understand indoor temperature variations in different types of housings across different geographic locations in urban South Asia and for India specifically, provide a rural-urban context.<br>For details on the methodology, please read the related article.
DOI: 10.34740/kaggle/dsv/3733777
title: Russian Invasion of Ukraine
DOI: 10.6084/m9.figshare.19957547
title: t2dm_compliance_dataset.xlsx

description: This is the raw data from the study titled " Treatment Noncompliance Level Among Patients with Type 2 Diabetes Mellitus: A Hospital Based Cross-Sectional Study in Bangladesh."
DOI: 10.6084/m9.figshare.19784005.v1
title: Detection of mecA gene and methicillin-resistant Staphylococcus aureus (MRSA) isolated from milk and risk factors from the farmer in Probolinggo, Indonesia

description: <em>Staphylococcus aureus</em> is commonly found in dairy cows which is a source of contamination in milk. <em>Staphylococcus aureus</em> that is resistant to beta-lactam antibiotics can be said to be Methicillin-Resistant <em>Staphylococcus aureus</em> (MRSA). The spread of MRSA cannot be separated from sanitation management during milking, it can be from milk that is milked from the udder and it can also be from the hands of farmers during the milking process. The purpose of this study was to examine the level of MRSA contamination in dairy cow's milk and farmer's hand swabs. The samples in this study were 109 samples of dairy cow’s milk and 41 samples of farmer's hand swabs taken at a dairy farm in Probolinggo, East Java, Indonesia. Samples were cultured and purified using Mannitol Salt Agar (MSA). The profile of <em>Staphylococcus aureus</em> resistance was carried out by disk diffusion test using a disc of beta-lactam antibiotics, namely Oxacillin and Cefoxitin. The <em>Staphylococcus aureus</em> isolates that were resistant to Oxacillin and Cefoxitin antibiotics were then tested for Oxacillin Resistance Screening Agar Base (ORSAB) as a confirmatory test for MRSA. <em>Staphylococcus aureus</em> isolates suspected of MRSA were then tested genotypically by Polymerase Chain Reaction (PCR) method to detect the presence of the gene encoding <em>mec</em>A. The results of the isolation and identification found 80 isolates (53.33%) of <em>Staphylococcus aureus</em>. The results of the resistance test found that 42 isolates (15%) of <em>Staphylococcus aureus</em> were resistant to Oxacillin and 10 isolates (12.5%) were resistant to Cefoxitin. The ORSAB test found as many as 20 isolates (47.62%) were positive for MRSA. In PCR testing to detect the presence of the <em>mec</em>A gene, 3 isolates (30%) were positive for the <em>mec</em>A gene. This study shows that several <em>Staphylococcus aureus</em> isolates are MRSA and have the gene encoding <em>mec</em>A in dairy farms.
DOI: 10.6084/m9.figshare.19958011.v1
title: Yun et al_procb_ESM_Table S1.xlsx from Adaptive specialization of a unique sponge body from the Cambrian Qingjiang biota

description: Results of the Fe speciation and trace element analyses
DOI: 10.6084/m9.figshare.19958011
title: Yun et al_procb_ESM_Table S1.xlsx from Adaptive specialization of a unique sponge body from the Cambrian Qingjiang biota

description: Results of the Fe speciation and trace element analyses
DOI: 10.6084/m9.figshare.19958014.v1
title: Yun et al_procb_ESM_Table S3.xlsx from Adaptive specialization of a unique sponge body from the Cambrian Qingjiang biota

description: Different body shapes of hexactinellid sponges from early Cambrian black shales
DOI: 10.6084/m9.figshare.19958014
title: Yun et al_procb_ESM_Table S3.xlsx from Adaptive specialization of a unique sponge body from the Cambrian Qingjiang biota

description: Different body shapes of hexactinellid sponges from early Cambrian black shales
DOI: 10.6084/m9.figshare.19958017
title: Yun et al_procb_ESM_Table S2.xlsx from Adaptive specialization of a unique sponge body from the Cambrian Qingjiang biota

description: Measurements of representative specimens
DOI: 10.6084/m9.figshare.19958017.v1
title: Yun et al_procb_ESM_Table S2.xlsx from Adaptive specialization of a unique sponge body from the Cambrian Qingjiang biota

description: Measurements of representative specimens
DOI: 10.5281/zenodo.3345748
title: Data collected from solar and weather stations over a day

description: Scientific data of EnergyLAB. These data come from solar and meteorological stations present on the following territories: Comoros, Madagascar, Mauritius, Seychelles. This server was created as part of the IOS-net project which aims to study the solar field and the optimization of solar intelligent energy systems in the countries of the IOC (Indian Ocean Commission). These data are served by Unidata's Thematic Realtime Environmental Distributed Data Services (THREDDS) Data Server (TDS) in a variety of interoperable data services and output formats.
description: Data are also available on the mobile application of the IOS-net project. The SolarIO app is downloadable on all stores.
DOI: 10.5281/zenodo.3345747
title: Data collected from solar and weather stations over a day

description: Scientific data of EnergyLAB. These data come from solar and meteorological stations present on the following territories: Comoros, Madagascar, Mauritius, Seychelles. This server was created as part of the IOS-net project which aims to study the solar field and the optimization of solar intelligent energy systems in the countries of the IOC (Indian Ocean Commission). These data are served by Unidata's Thematic Realtime Environmental Distributed Data Services (THREDDS) Data Server (TDS) in a variety of interoperable data services and output formats.
description: Data are also available on the mobile application of the IOS-net project. The SolarIO app is downloadable on all stores.
DOI: 10.15151/esrf-es-771318054
title: IBS BAG

description: The IBS BAG includes in this proposal IBS teams and external groups from iRTSV/CEA (Grenoble), CEA-Cadarache (St Paul lez Durance) and IRBA (Brétigny-sur-Orge). We study structure-function relationships of proteins emphasizing in human health, biotechnology and methodology. Most of the projects are a continuation of the MX-2329 proposal and can be grouped in different topics as follows: host-pathogen interaction, new drug targets, fundamental cellular mechanisms, membrane proteins, intrinsically disordered proteins, biotechnological applications and methodology. Some of these projects use integrative approaches (X-ray crystallography, SAXS, NMR (and cryo-EM), together with other biophysical studies) with the aim to fully understand the complexity of the biological macromolecular systems on study. Some teams are dedicated to serial crystallography and its developments, for which the ESRF-EBS has become the perfect tool.
DOI: 10.15151/esrf-es-771430796
title: UK Midlands BAG

description: The UK Midlands BAG consists of groups located at the Universities of Birmingham, Leicester, Warwick, Nottingham, Keele, and Wolverhampton. We represent a diverse spectrum of research interests, from microbiology, cancer biology, blood disorders, immunology to fundamental biological processes such as membrane transport, DNA repair and mechanisms of enzyme catalysis. Our groups use X-ray crystallography in conjunction with other structural biology, biophysical and biochemical techniques to elucidate molecular mechanisms of protein-protein and protein-ligand interactions. Our cooperation in this block allocation group is mirrored by the consortium of institutions that are stakeholders in the Midlands Regional CryoEM Facility at the University of Leicester.
DOI: 10.15151/esrf-es-771377001
title: Structural Biology BAG - Portugal

description: The Portuguese MX BAG includes 13 PIs from three different institutions. Our research interests include soluble and membrane proteins of biomedical interest from humans or pathogenic organisms, many of which can be drug targets. Focus is also given to structural enzymology, aimed at the elucidation of reaction mechanisms, active sites, and inhibition tolerance in proteins with potential biotechnology applications. In several cases, complementary structural biology approaches are being used, combining MX with SAXS and, more recently, CryoEM.
DOI: 10.15151/esrf-es-771379270
title: Proteins and protein/DNA/RNA complexes involved in biosynthesis, protein folding and degradation, splicing, cancer, host pathogen interacti

description: Pathogenesis and immune responses are very complex, multi-component processes. Understanding the molecular mechanisms underlying these processes is essential for their regulation and the development of new therapies. Our Life Sciences Block Allocation Group (BAG) for synchrotron research at the ESRF includes groups from Georg-August University of Göttingen (Germany), Helmholtz Centre for Infection Research Structural Biology, Braunschweig (Germany), Rudolf Virchow Center for Biomedical Research, Würzburg (Germany), University of Bielefeld (Germany), Hannover Medical School (Germany) and University of the Western Cape, Cape Town (South Africa). The research of our BAG is focused on the structural, mechanistic, and functional studies of a broad range of medically relevant biological systems, with an aim to develop new therapies in the areas of emerging infections, antimicrobial resistance, chronic inflammatory conditions, and oncogenesis.
DOI: 10.15151/esrf-es-785985247
title: In situ microstructural investigation of new FeMnNiAl shape memory alloy under cyclic load

description: The iron-based shape memory alloy (FeMnNiAl) exhibits desirable pseudoelastic properties across a wide range of temperatures. Accompanied with high transformation stress magnitudes, this material system holds significant potential for applications requiring high work output levels. However, the alloy also exhibits pronounced grain size dependance which is not well understood. In addition, challenges associated with the functional response under cyclic loading have been reported for this system. Despite notable progress in advancing and optimizing the cyclic properties of this system, there is a lack of a comprehensive understanding regarding the metallurgical phenomena ruling the functional fatigue properties of FeMnNiAl. This work aims to address this aspect by providing a deeper insight into the source of functional fatigue through in-situ identification of phases and lattice microstrains during cyclic loading.
DOI: 10.6084/m9.figshare.19958535
title: Jupyter notebook from Vaccination strategies when vaccines are scarce: on conflicts between reducing the burden and avoiding the evolution of escape mutants

description: The file provides the code for running the model and reproducing the figures.
DOI: 10.6084/m9.figshare.19825240.v1
title: CiteScore2020 Principales Recursos que citan a revistas españolas de educación

description: 83 CiteScore 2020 procedentes de los principales recursos que citaron a las 61 revistas españolas de Educación según sus CiteScore2020.
DOI: 10.6084/m9.figshare.19825240
title: CiteScore2020 Principales Recursos que citan a revistas españolas de educación

description: 83 CiteScore 2020 procedentes de los principales recursos que citaron a las 61 revistas españolas de Educación según sus CiteScore2020.
DOI: 10.6084/m9.figshare.19771681
title: De novo transcriptome assemblies of major European oilseed rape insect pests

description: annotation files of transcriptome assemblies of insect pests
DOI: 10.6084/m9.figshare.19771681.v1
title: De novo transcriptome assemblies of major European oilseed rape insect pests

description: annotation files of transcriptome assemblies of insect pests
DOI: 10.5519/qd.6jq8bn6h
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (42 records)
DOI: 10.5517/ccdc.csd.cc279px5
title: CCDC 2064907: Experimental Crystal Structure Determination

description: Related Article: Chunyang Huang, Wuping Liao|2021|J.Mol.Struct.|1237|130392|doi:10.1016/j.molstruc.2021.130392
DOI: 10.5517/ccdc.csd.cc29y43j
title: CCDC 2143157: Experimental Crystal Structure Determination

description: Related Article: Guo-Hao Ni, Ying-Xi Sun, Cui-Xian Ji, Ya-Wei Jin, Meng-Yuan Liu, Jiong-Peng Zhao, Fu-Chen Liu|2022|Cryst.Growth Des.|22|3428|doi:10.1021/acs.cgd.2c00219
DOI: 10.15129/a63171a2-e272-4f53-b147-0c4e55f7287d
title: Data for: "Spatiotemporal responses of trabecular and cortical bone to complete spinal cord injury in skeletally mature rats"

description: The data obtained in the study ‘Spatiotemporal responses of trabecular and cortical bone to complete spinal cord injury in skeletally mature rats' The data is in the form of an Excel spreadsheet with each sheet containing the data used to plot one of the Figures that make up the manuscript
DOI: 10.6084/m9.figshare.19825378
title: Información Estadística General de los CiteScore2020

description: Información estadística general de las autocitas recibidas por las revistas españolas de educación según su CiteScore 2020
DOI: 10.6084/m9.figshare.19825378.v1
title: Información Estadística General de los CiteScore2020

description: Información estadística general de las autocitas recibidas por las revistas españolas de educación según su CiteScore 2020
DOI: 10.5281/zenodo.4680467
title: (1S)-camphor on Cu(111), 6D surface adsorbate search with BOSS

description: This dataset was employed in manuscripts:<br> [1] J. Järvi, B. Alldritt, O. Krejčí, M. Todorović, P. Liljeroth, P. Rinke, Integrating Bayesian inference with scanning probe experiments for robust identification of surface adsorbate configurations, <em>Adv. Funct. Mater.</em> 31, 2010853 (2021). DOI: 10.1002/adfm.202010853<br> [2] J. Järvi, P. Rinke, M. Todorović, Detecting stable adsorbates of (1<em>S</em>)-camphor on Cu(111) with Bayesian optimization, <em>Beilstein J. Nanotechnol.</em> 11, 1577 (2020). DOI: 10.3762/bjnano.11.140 This dataset features DFT sampling of adsorption configurations for (1<em>S</em>)-camphor on Cu(111) using the Bayesian Optimization Structure Search (BOSS) method. The 6D configurational search was conducted over 3 molecular translations (<em>x, y, z</em>) and 3 rotations (<em>alpha, beta, gamma</em>). The search range of on-surface translation (<em>x, y</em>) is [-0.5, 0.5] in fractional coordinates of the orthogonal Cu(111) unit cell. The search range of the height of the molecule (<em>z</em>) is [4, 7] Å. All rotations are done in the range [-180, 180] deg. Energy (<em>E</em><sub>ads</sub>) is the adsorption energy of (1<em>S</em>)-camphor on Cu(111) computed with DFT. For additional details on search coordinates and DFT calculations please refer to [2]. The 6D model of the adsorption energy surface was constructed with 1380 energy points, the full list is provided in the dataset. Rotational and translational symmetries of the system allowed us to build the model using 609 unique DFT calculations, which are denoted by the ID number in each row (note: some IDs appear more than once due to material symmetry). The raw data for each unique calculation ID (001-609) can be found in the NOMAD repository DOI: 10.17172/NOMAD/2021.04.12-1.