cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc25srk9
title: CCDC 2019791: Experimental Crystal Structure Determination

description: Related Article: Drew E. Craddock, McKenzie J. Parks, Lauren A. Taylor, Benjamin L. Wagner, Michael Ruf, Kraig A. Wheeler|2021|CrystEngComm|23|210|doi:10.1039/D0CE01331E
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.cc2607zg
title: CCDC 2026035: Experimental Crystal Structure Determination

description: Related Article: Drew E. Craddock, McKenzie J. Parks, Lauren A. Taylor, Benjamin L. Wagner, Michael Ruf, Kraig A. Wheeler|2021|CrystEngComm|23|210|doi:10.1039/D0CE01331E
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.21991850
title: HHG_Data.zip

description: Measurement data for the paper "All-Optical Spatiotemporal Phase-Matching of High Harmonic Generation Using a Traveling-Grating Pump Field"
DOI: 10.6084/m9.figshare.21991850.v1
title: HHG_Data.zip

description: Measurement data for the paper "All-Optical Spatiotemporal Phase-Matching of High Harmonic Generation Using a Traveling-Grating Pump Field"
DOI: 10.5517/ccdc.csd.cc26hfcj
title: CCDC 2040617: Experimental Crystal Structure Determination

description: Related Article: Eugene A. Katlenok, Anton V. Rozhkov, Oleg V. Levin, Matti Haukka, Maxim L. Kuznetsov, Vadim Yu. Kukushkin|2021|Cryst.Growth Des.|21|1159|doi:10.1021/acs.cgd.0c01474
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.cc26hfdk
title: CCDC 2040618: Experimental Crystal Structure Determination

description: Related Article: Eugene A. Katlenok, Anton V. Rozhkov, Oleg V. Levin, Matti Haukka, Maxim L. Kuznetsov, Vadim Yu. Kukushkin|2021|Cryst.Growth Des.|21|1159|doi:10.1021/acs.cgd.0c01474
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.cc26hffl
title: CCDC 2040619: Experimental Crystal Structure Determination

description: Related Article: Eugene A. Katlenok, Anton V. Rozhkov, Oleg V. Levin, Matti Haukka, Maxim L. Kuznetsov, Vadim Yu. Kukushkin|2021|Cryst.Growth Des.|21|1159|doi:10.1021/acs.cgd.0c01474
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.cc26hfgm
title: CCDC 2040620: Experimental Crystal Structure Determination

description: Related Article: Eugene A. Katlenok, Anton V. Rozhkov, Oleg V. Levin, Matti Haukka, Maxim L. Kuznetsov, Vadim Yu. Kukushkin|2021|Cryst.Growth Des.|21|1159|doi:10.1021/acs.cgd.0c01474
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.cc26hfhn
title: CCDC 2040621: Experimental Crystal Structure Determination

description: Related Article: Eugene A. Katlenok, Anton V. Rozhkov, Oleg V. Levin, Matti Haukka, Maxim L. Kuznetsov, Vadim Yu. Kukushkin|2021|Cryst.Growth Des.|21|1159|doi:10.1021/acs.cgd.0c01474
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.cc26hfjp
title: CCDC 2040622: Experimental Crystal Structure Determination

description: Related Article: Eugene A. Katlenok, Anton V. Rozhkov, Oleg V. Levin, Matti Haukka, Maxim L. Kuznetsov, Vadim Yu. Kukushkin|2021|Cryst.Growth Des.|21|1159|doi:10.1021/acs.cgd.0c01474
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.cc25xqnh
title: CCDC 2023607: Experimental Crystal Structure Determination

description: Related Article: Xin He, Xin Wang, Tianyu Xiao, Shunlin Zhang, Dunru Zhu|2021|Inorg.Chem.|60|9|doi:10.1021/acs.inorgchem.0c02913
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.cc25xqpj
title: CCDC 2023608: Experimental Crystal Structure Determination

description: Related Article: He xin|2020|CSD Communication|||
description: Related Article: Xin He, Xin Wang, Tianyu Xiao, Shunlin Zhang, Dunru Zhu|2021|Inorg.Chem.|60|9|doi:10.1021/acs.inorgchem.0c02913
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.cc25xqqk
title: CCDC 2023609: Experimental Crystal Structure Determination

description: Related Article: Xin He, Xin Wang, Tianyu Xiao, Shunlin Zhang, Dunru Zhu|2021|Inorg.Chem.|60|9|doi:10.1021/acs.inorgchem.0c02913
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.cc25xqrl
title: CCDC 2023610: Experimental Crystal Structure Determination

description: Related Article: Xin He, Xin Wang, Tianyu Xiao, Shunlin Zhang, Dunru Zhu|2021|Inorg.Chem.|60|9|doi:10.1021/acs.inorgchem.0c02913
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.cc25xqsm
title: CCDC 2023611: Experimental Crystal Structure Determination

description: Related Article: Xin He, Xin Wang, Tianyu Xiao, Shunlin Zhang, Dunru Zhu|2021|Inorg.Chem.|60|9|doi:10.1021/acs.inorgchem.0c02913
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.cc25xqtn
title: CCDC 2023612: Experimental Crystal Structure Determination

description: Related Article: Xin He, Xin Wang, Tianyu Xiao, Shunlin Zhang, Dunru Zhu|2021|Inorg.Chem.|60|9|doi:10.1021/acs.inorgchem.0c02913
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.cc261y6f
title: CCDC 2027654: Experimental Crystal Structure Determination

description: Related Article: Hajime Kameo, Shigeyoshi Sakaki, Yasuhiro Ohki, Naoki Uehara, Takuya Kosukegawa, Hiroharu Suzuki, Toshiro Takao|2021|Inorg.Chem.|60|1550|doi:10.1021/acs.inorgchem.0c02936
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.cc261ycl
title: CCDC 2027659: Experimental Crystal Structure Determination

description: Related Article: Hajime Kameo, Shigeyoshi Sakaki, Yasuhiro Ohki, Naoki Uehara, Takuya Kosukegawa, Hiroharu Suzuki, Toshiro Takao|2021|Inorg.Chem.|60|1550|doi:10.1021/acs.inorgchem.0c02936
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.cc261ybk
title: CCDC 2027658: Experimental Crystal Structure Determination

description: Related Article: Hajime Kameo, Shigeyoshi Sakaki, Yasuhiro Ohki, Naoki Uehara, Takuya Kosukegawa, Hiroharu Suzuki, Toshiro Takao|2021|Inorg.Chem.|60|1550|doi:10.1021/acs.inorgchem.0c02936
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.cc267wt5
title: CCDC 2033377: Experimental Crystal Structure Determination

description: Related Article: Matthew L. Nisbet, Yiran Wang, Kenneth R. Poeppelmeier|2021|Cryst.Growth Des.|21|552|doi:10.1021/acs.cgd.0c01355
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.cc267ww7
title: CCDC 2033379: Experimental Crystal Structure Determination

description: Related Article: Matthew L. Nisbet, Yiran Wang, Kenneth R. Poeppelmeier|2021|Cryst.Growth Des.|21|552|doi:10.1021/acs.cgd.0c01355
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.cc267wy9
title: CCDC 2033381: Experimental Crystal Structure Determination

description: Related Article: Matthew L. Nisbet, Yiran Wang, Kenneth R. Poeppelmeier|2021|Cryst.Growth Des.|21|552|doi:10.1021/acs.cgd.0c01355
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.cc267wv6
title: CCDC 2033378: Experimental Crystal Structure Determination

description: Related Article: Matthew L. Nisbet, Yiran Wang, Kenneth R. Poeppelmeier|2021|Cryst.Growth Des.|21|552|doi:10.1021/acs.cgd.0c01355
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.cc261y8h
title: CCDC 2027656: Experimental Crystal Structure Determination

description: Related Article: Hajime Kameo, Shigeyoshi Sakaki, Yasuhiro Ohki, Naoki Uehara, Takuya Kosukegawa, Hiroharu Suzuki, Toshiro Takao|2021|Inorg.Chem.|60|1550|doi:10.1021/acs.inorgchem.0c02936
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.cc267wx8
title: CCDC 2033380: Experimental Crystal Structure Determination

description: Related Article: Matthew L. Nisbet, Yiran Wang, Kenneth R. Poeppelmeier|2021|Cryst.Growth Des.|21|552|doi:10.1021/acs.cgd.0c01355
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.cc267wzb
title: CCDC 2033382: Experimental Crystal Structure Determination

description: Related Article: Matthew L. Nisbet, Yiran Wang, Kenneth R. Poeppelmeier|2021|Cryst.Growth Des.|21|552|doi:10.1021/acs.cgd.0c01355
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.21688172
title: COVID-19 Associated Pulmonary Aspergillosis isolates are genomically diverse but similar to each other in their responses to infection-relevant stresses

description: Secondary infections caused by the pulmonary fungal pathogen <em>Aspergillus fumigatus</em> are a significant cause of mortality in patients with severe Coronavirus Disease 19 (COVID-19). Even though epithelial cell damage and aberrant cytokine responses have been linked with susceptibility to COVID-19 associated pulmonary aspergillosis (CAPA), little is known about the mechanisms underpinning co-pathogenicity. Here, we analysed the genomes of 11 <em>A. fumigatus</em> isolates from patients with CAPA in three centres from different European countries. CAPA isolates did not cluster based on geographic origin in a genome-scale phylogeny of representative <em>A. fumigatus </em>isolates. Phenotypically, CAPA isolates were more similar to the <em>A. fumigatus</em> A1160 reference strain than to the Af293 strain when grown in infection-relevant stresses; except for interactions with human immune cells wherein macrophage responses were similar to those induced by the Af293 reference strain. Collectively, our data indicates that CAPA isolates are genomically diverse but are more similar to each other in their responses to infection-relevant stresses. A larger number of isolates from CAPA patients should be studied to identify genetic drivers of co-pathogenicity in patients with COVID-19.
DOI: 10.6084/m9.figshare.21688172.v4
title: COVID-19 Associated Pulmonary Aspergillosis isolates are genomically diverse but similar to each other in their responses to infection-relevant stresses

description: Secondary infections caused by the pulmonary fungal pathogen <em>Aspergillus fumigatus</em> are a significant cause of mortality in patients with severe Coronavirus Disease 19 (COVID-19). Even though epithelial cell damage and aberrant cytokine responses have been linked with susceptibility to COVID-19 associated pulmonary aspergillosis (CAPA), little is known about the mechanisms underpinning co-pathogenicity. Here, we analysed the genomes of 11 <em>A. fumigatus</em> isolates from patients with CAPA in three centres from different European countries. CAPA isolates did not cluster based on geographic origin in a genome-scale phylogeny of representative <em>A. fumigatus </em>isolates. Phenotypically, CAPA isolates were more similar to the <em>A. fumigatus</em> A1160 reference strain than to the Af293 strain when grown in infection-relevant stresses; except for interactions with human immune cells wherein macrophage responses were similar to those induced by the Af293 reference strain. Collectively, our data indicates that CAPA isolates are genomically diverse but are more similar to each other in their responses to infection-relevant stresses. A larger number of isolates from CAPA patients should be studied to identify genetic drivers of co-pathogenicity in patients with COVID-19.
DOI: 10.6084/m9.figshare.21688172.v3
title: COVID-19 Associated Pulmonary Aspergillosis isolates are genomically diverse but similar to each other in their responses to infection-relevant stresses

description: Secondary infections caused by the pulmonary fungal pathogen <em>Aspergillus fumigatus</em> are a significant cause of mortality in patients with severe Coronavirus Disease 19 (COVID-19). Even though epithelial cell damage and aberrant cytokine responses have been linked with susceptibility to COVID-19 associated pulmonary aspergillosis (CAPA), little is known about the mechanisms underpinning co-pathogenicity. Here, we analysed the genomes of 11 <em>A. fumigatus</em> isolates from patients with CAPA in three centres from different European countries. CAPA isolates did not cluster based on geographic origin in a genome-scale phylogeny of representative <em>A. fumigatus </em>isolates. Phenotypically, CAPA isolates were more similar to the <em>A. fumigatus</em> A1160 reference strain than to the Af293 strain when grown in infection-relevant stresses; except for interactions with human immune cells wherein macrophage responses were similar to those induced by the Af293 reference strain. Collectively, our data indicates that CAPA isolates are genomically diverse but are more similar to each other in their responses to infection-relevant stresses. A larger number of isolates from CAPA patients should be studied to identify genetic drivers of co-pathogenicity in patients with COVID-19.
DOI: 10.5066/p9cl07rx
title: Data for assessing the penetration depth post-1950s water in the Central Valley aquifer system, California (July 2022)

description: This dataset provides groundwater ages estimates that were used in an assessment of the penetration depth of modern groundwater in the Central Valley aquifer system (CVAL). Groundwater ages were estimated by calibration of environmental tracers (tritium, tritiogenic helium-3, chlorofluorocarbons, sulfur hexafluoride, carbon-14 and radiogenic helium-4) to lumped parameter models (LPMs) for samples from 650 sample locations. Groundwater samples were collected from wells (mainly drinking-water) in the CVAL between 2004 and 2017 as part of the California State Water Resources Control Board Groundwater Ambient Monitoring and Assessment Priority Basin Project (GAMA-PBP) and the National Water-Quality Assessment (NAWQA) Project. Table 1 reports [...]
DOI: 10.5281/zenodo.7575450
title: Computational data on "A Model for the Rapid Assessment of Solution-Structures for 24-Atom Macrocycles: The Impact of β-Branched Amino Acids on Conformation"

description: The archive contains 5 different folders:<br> <br> 1. mdp_files, that contains all the input files for the minimization, equilibration and molecular dynamics run (in gromacs format);<br> 2. topologies, that contains the equilibrated configurations and topology of the 4 systems studied (in gromacs format);<br> 3. trajectories, that contains the coordinates of the macrocycles during the metadynamics calculations and the relevant metadynamics output files (hills file and energy file);<br> 4. plumed_input, that contains the input file for the metadynamics calculations.<br> 5. gaussian, that contains input and output for the single-point charge calculations.
DOI: 10.5281/zenodo.7575449
title: Computational data on "A Model for the Rapid Assessment of Solution-Structures for 24-Atom Macrocycles: The Impact of β-Branched Amino Acids on Conformation"

description: The archive contains 5 different folders:<br> <br> 1. mdp_files, that contains all the input files for the minimization, equilibration and molecular dynamics run (in gromacs format);<br> 2. topologies, that contains the equilibrated configurations and topology of the 4 systems studied (in gromacs format);<br> 3. trajectories, that contains the coordinates of the macrocycles during the metadynamics calculations and the relevant metadynamics output files (hills file and energy file);<br> 4. plumed_input, that contains the input file for the metadynamics calculations.<br> 5. gaussian, that contains input and output for the single-point charge calculations.
DOI: 10.5281/zenodo.7596328
title: Dominican_Republic_models_OSeMOSYS_EMPLAC23

description: Data Set <strong>BAU</strong> Business As Usual The carbon generation is maintained, and the tendered energy projects are added. <strong>NCP</strong> No Coal Plant. Decarbonization of the sector after 2030. <strong>(Dominican_Republic_decarbonisation2025_2070)</strong> The carbon generation will begin the reduction of coal plants from 2025 gradually until 2030 <strong>REE</strong> Renewable Energy scenario. Energy From 2025 the demand will be supplied by Solar and Wind. <strong>(Dominican_Republic_REE_30)</strong> From 2025, 30% of the demand will be supplied by Solar PV (60%) and Wind (40%).