cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc23547p
title: CCDC 1941351: Experimental Crystal Structure Determination

description: Related Article: Gloria Alzuet, Alfonso Castiñeiras, Iago Cores, Isabel García-Santos, Marta González-Álvarez, Manuel Saa|2020|J.Inorg.Biochem.|203|110902|doi:10.1016/j.jinorgbio.2019.110902
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.cc23548q
title: CCDC 1941352: Experimental Crystal Structure Determination

description: Related Article: Gloria Alzuet, Alfonso Castiñeiras, Iago Cores, Isabel García-Santos, Marta González-Álvarez, Manuel Saa|2020|J.Inorg.Biochem.|203|110902|doi:10.1016/j.jinorgbio.2019.110902
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.cc23549r
title: CCDC 1941353: Experimental Crystal Structure Determination

description: Related Article: Gloria Alzuet, Alfonso Castiñeiras, Iago Cores, Isabel García-Santos, Marta González-Álvarez, Manuel Saa|2020|J.Inorg.Biochem.|203|110902|doi:10.1016/j.jinorgbio.2019.110902
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.cc1z4lqf
title: CCDC 1821675: Experimental Crystal Structure Determination

description: Related Article: Jing-Huo Chen, Donghui Wei, Guang Yang, Jian-Gong Ma, Peng Cheng|2020|Dalton Trans.|49|1116|doi:10.1039/C9DT04263F
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.cc1z4ltj
title: CCDC 1821678: Experimental Crystal Structure Determination

description: Related Article: Jing-Huo Chen, Donghui Wei, Guang Yang, Jian-Gong Ma, Peng Cheng|2020|Dalton Trans.|49|1116|doi:10.1039/C9DT04263F
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.cc23zm1s
title: CCDC 1965835: Experimental Crystal Structure Determination

description: Related Article: Nikola Bedeković, Vladimir Stilinović|2020|J.Mol.Struct.|1205|127627|doi:10.1016/j.molstruc.2019.127627
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.cc24gz7v
title: CCDC 1980597: Experimental Crystal Structure Determination

description: Related Article: Marzieh Emami, Rahman Bikas, Nader Noshiranzadeh, Anna Kozakiewicz, Tadeusz Lis|2020|ACS Omega|5|13344|doi:10.1021/acsomega.0c01491
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.cc26b74y
title: CCDC 2035619: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Fabian Albrecht, Hans-Hermann Johannes, Wolfgang Kowalski|2020|CSD Communication|||
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.cc26b7f7
title: CCDC 2035628: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Fabian Albrecht, Hans-Hermann Johannes, Wolfgang Kowalski|2020|CSD Communication|||
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.cc24rj5m
title: CCDC 1988810: Experimental Crystal Structure Determination

description: Related Article: Briana R. Schrage, Victor N. Nemykin, Christopher J. Ziegler|2020|Chem.Commun.|56|6628|doi:10.1039/D0CC03060K
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.cc26b7g8
title: CCDC 2035629: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Fabian Albrecht, Hans-Hermann Johannes, Wolfgang Kowalski|2020|CSD Communication|||
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.cc26b7jb
title: CCDC 2035631: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Fabian Albrecht, Hans-Hermann Johannes, Wolfgang Kowalski|2020|CSD Communication|||
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.cc26b7ng
title: CCDC 2035635: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Joerg Ewers, Hans-Hermann Johannes, Wolfgang Kowalkski|2020|CSD Communication|||
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.cc26b7rk
title: CCDC 2035638: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Joerg Ewers, Hans-Hermann Johannes, Wolfgang Kowalkski|2020|CSD Communication|||
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: 10.18462/iir.gl2022.0182
title: Experimental wetting performance assessment of water on a surface-treated aluminum fin-tube substrate for performance improvement of heat and mass exchangers.
DOI: 10.18462/iir.gl2022.0181
title: Assessment of partial wetting characteristics in horizontal tube falling film absorbers using fluorescent uranine.
DOI: 10.18462/iir.gl2022.0175
title: Techno-economical study of a pilot plant for energy production and long-duration storage using pumped-hydro and carbon dioxide transcritical cycles.
DOI: 10.18462/iir.gl2022.0171
title: Experimental analysis of various refrigerant circuit component combinations for low charge propane heat pumps.
DOI: 10.25405/data.ncl.20517660
title: Simulated retention ponds in the Briad Burn catchment using Shetran hydrological model

description: Set of 65 shetran hydrological model simulations of the Briad Burn catchment, Edinburgh.<br> These concern the effect of putting combinations of 4 retention ponds in the catchment for 8 annual maximum rainfall events and 2 design events . Namings can be seen here: shetran-simulations-namings.txt<br>
DOI: 10.25405/data.ncl.20517660.v1
title: Simulated retention ponds in the Briad Burn catchment using Shetran hydrological model

description: Set of 65 shetran hydrological model simulations of the Briad Burn catchment, Edinburgh.<br> These concern the effect of putting combinations of 4 retention ponds in the catchment for 8 annual maximum rainfall events and 2 design events . Namings can be seen here: shetran-simulations-namings.txt<br>
DOI: 10.25934/pr00007621
title: Bayesian Disease Progression Modeling and Clinical Trial Design for Progressive Supranuclear Palsy - Richardson's Syndrome

description: Progressive Supranuclear Palsy (PSP) is a rare primary tauopathy, e.g. a disorder caused by the deposit of abnormal tau protein in the brain (tau is a protein that stabilises neuron cells in the nervous system), neurodegenerative disease that usually affects people in their 50s, 60s and 70s, and is generally fatal within 5-7 years of diagnosis. It is a progressively worsening condition of the nervous system that causes problems with balance, vision, speech, movement and swallowing. Approximately 200,000 US individuals are estimated to currently have PSP or a related disorder.  There are no effective treatments for PSP.  We have previously led the design and conduct of large, multicenter clinical trials for PSP.  Although none of the therapies that we tested showed any benefit, we have improved our methods of designing clinical trials.  To find an effective therapy we need to test more therapies.  Clinical trials are expensive and difficult to complete.  Multi-arm platform trials are clinical trials that allow the testing of multiple therapies in the same clinical trial, which offers many economies of scale, and reduces costs and time to test new therapies.  The goal of this project is to use recent clinical trial data to model disease progression in PSP as a basis for the design of a multi-arm platform trial.  This design will be used to apply for funding from the National Institutes of Health (NIH) and hopefully actually initiate the trial.
DOI: 10.18462/iir.gl2022.0162
title: R22 plant retrofit for refrigerated storage using a photovoltaic-driven R290 chiller - A case study.
DOI: 10.18462/iir.gl2022.0168
title: Design and experimental validation of a R-290 dual-source heat pump.
DOI: 10.18462/iir.gl2022.0169
title: Computational analysis of a thermoelectric subcooler included in vapour compression cycles with natural refrigerants.
DOI: 10.5281/zenodo.6327753
title: Bifurcating trajectories: multidimensional specialization vs multidimensional generalization

description: Project folder for publication "Bifurcating trajectories: multidimensional specialization vs multidimensional generalization" containing: 1) job scripts and raw data to replicate analyses, 2) intermediate and final files output by scripts, and 3) HTML outputs of RMarkdown files containing results from statistical analyses. Descriptions of files, scripts, and folders in README file. Manuscript Abstract: Habitat specialization underpins biological processes from species distributions to speciation. However, organisms are often described as specialists or generalists based on a single niche axis, despite facing complex, multidimensional environments. Here, we analyzed 236 prokaryotic communities across the United States demonstrating for the first time that 96% of &gt;1,200 prokaryotes followed one of two trajectories: specialization on all niche axes (multidimensional specialization) or generalization on all axes (multidimensional generalization). We then documented that this pervasive multidimensional specialization/generalization had a wide range of ecological and evolutionary consequences, including impacts on (1) species dominance with multidimensional generalists 108-times more abundant than specialists, (2) evolutionary trajectories with generalist-to-specialist transitions occurring ~20% less than expected, and (3) community structure with multidimensional specialists ~45% more connected within microbiome networks. These results indicate that multidimensional generalization supports larger populations and is more evolutionarily stable while multidimensional specialists, which are less common, still play important roles within communities, likely stemming from their overrepresentation among pollutant detoxifiers and nutrient cyclers. Taken together, we demonstrate that virtually all soil prokaryotes are restricted to one of two multidimensional niche trajectories, multidimensional specialization or multidimensional generalization, which then has far-reaching consequences for microbial dominance, evolutionary transitions, and community roles.
description: This work was funded by: National Science Foundation (US): DEB-1922521 National Science Foundation (US): DEB-2030060 National Science Foundation (US): Graduate Research Fellowship United States Department of Agriculture (US): NIFA 2022-67011-36456 University of Miami (US): Maytag Fellowship University of Miami (US): Dean's Summer Research Fellowship University of Miami (US): Dean's Dissertation Fellowship University of Miami (US): Lisa D. Anness Fellowship
DOI: 10.5281/zenodo.6327752
title: Bifurcating trajectories: multidimensional specialization vs multidimensional generalization

description: Project folder for publication "Bifurcating trajectories: multidimensional specialization vs multidimensional generalization" containing: 1) job scripts and raw data to replicate analyses, 2) intermediate and final files output by scripts, and 3) HTML outputs of RMarkdown files containing results from statistical analyses. Descriptions of files, scripts, and folders in README file. Manuscript Abstract: Habitat specialization underpins biological processes from species distributions to speciation. However, organisms are often described as specialists or generalists based on a single niche axis, despite facing complex, multidimensional environments. Here, we analyzed 236 prokaryotic communities across the United States demonstrating for the first time that 96% of &gt;1,200 prokaryotes followed one of two trajectories: specialization on all niche axes (multidimensional specialization) or generalization on all axes (multidimensional generalization). We then documented that this pervasive multidimensional specialization/generalization had a wide range of ecological and evolutionary consequences, including impacts on (1) species dominance with multidimensional generalists 108-times more abundant than specialists, (2) evolutionary trajectories with generalist-to-specialist transitions occurring ~20% less than expected, and (3) community structure with multidimensional specialists ~45% more connected within microbiome networks. These results indicate that multidimensional generalization supports larger populations and is more evolutionarily stable while multidimensional specialists, which are less common, still play important roles within communities, likely stemming from their overrepresentation among pollutant detoxifiers and nutrient cyclers. Taken together, we demonstrate that virtually all soil prokaryotes are restricted to one of two multidimensional niche trajectories, multidimensional specialization or multidimensional generalization, which then has far-reaching consequences for microbial dominance, evolutionary transitions, and community roles.
description: This work was funded by: National Science Foundation (US): DEB-1922521 National Science Foundation (US): DEB-2030060 National Science Foundation (US): Graduate Research Fellowship United States Department of Agriculture (US): NIFA 2022-67011-36456 University of Miami (US): Maytag Fellowship University of Miami (US): Dean's Summer Research Fellowship University of Miami (US): Dean's Dissertation Fellowship University of Miami (US): Lisa D. Anness Fellowship
DOI: 10.18462/iir.gl2022.0170
title: Gascooler optimal pressure revisited.
DOI: 10.6084/m9.figshare.20530026
title: PDB.rar

description: HGT-originated abiotic stress resistance
DOI: 10.6084/m9.figshare.20530026.v1
title: PDB.rar

description: HGT-originated abiotic stress resistance
DOI: 10.5281/zenodo.7014899
title: The impact from the contrast of the generated images

description: The contrast of the generated images was dull for the S2IGAN code, as given. By enhancing brightness and contrast, this problem could be solved. However, we found this is only needed for human evaluation: On 20 selected images, the IS score for S2IGAN was the same for the raw (greyish) output and the enhanced output samples.
DOI: 10.5281/zenodo.7014898
title: The impact from the contrast of the generated images

description: The contrast of the generated images was dull for the S2IGAN code, as given. By enhancing brightness and contrast, this problem could be solved. However, we found this is only needed for human evaluation: On 20 selected images, the IS score for S2IGAN was the same for the raw (greyish) output and the enhanced output samples.
DOI: 10.6084/m9.figshare.20530083
title: FMTK-Table S1.xlsx

description: Table S1a: Microbe-originated HGT genes identified in tested plant genomes that associated with DNA damage resistance. Table S1b: Microbe-originated HGT genes identified in tested plant genomes that associated with organic pollutante resistance. Table S1c: DeepFRI Deep-learning-driven structure-based protein functional annotation of the 3D models of HGT protein assiciated with abiotic stress resistance from plant recipients. Table S1d: TM-align-based structural alignments of the 3D models of HGT protein assiciated with abiotic stress resistance from plant recipients and corresponding microbial donors.
DOI: 10.34740/kaggle/dsv/3461351
title: emotion_data
DOI: 10.6084/m9.figshare.20530164
title: MANOVA.sav

description: Data of intervention study
DOI: 10.5517/ccdc.csd.cc298n3c
title: CCDC 2123472: Experimental Crystal Structure Determination

description: Related Article: Shuxin Wang, Emily E. Morgan, Shobhana Panuganti, Lingling Mao, Pratap Vishnoi, Guang Wu, Quanlin Liu, Mercouri G. Kanatzidis, Richard D. Schaller, Ram Seshadri|2022|Chem.Mater.|34|3206|doi:10.1021/acs.chemmater.1c04408
description: Related Article: Shuxin Wang|2022|CSD Communication|||
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.cc298n4d
title: CCDC 2123473: Experimental Crystal Structure Determination

description: Related Article: Shuxin Wang|2022|CSD Communication|||
description: Related Article: Shuxin Wang, Emily E. Morgan, Shobhana Panuganti, Lingling Mao, Pratap Vishnoi, Guang Wu, Quanlin Liu, Mercouri G. Kanatzidis, Richard D. Schaller, Ram Seshadri|2022|Chem.Mater.|34|3206|doi:10.1021/acs.chemmater.1c04408
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.cc298n5f
title: CCDC 2123474: Experimental Crystal Structure Determination

description: Related Article: Shuxin Wang, Emily E. Morgan, Shobhana Panuganti, Lingling Mao, Pratap Vishnoi, Guang Wu, Quanlin Liu, Mercouri G. Kanatzidis, Richard D. Schaller, Ram Seshadri|2022|Chem.Mater.|34|3206|doi:10.1021/acs.chemmater.1c04408
description: Related Article: Shuxin Wang|2022|CSD Communication|||
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.cc298n6g
title: CCDC 2123475: Experimental Crystal Structure Determination

description: Related Article: Shuxin Wang, Emily E. Morgan, Shobhana Panuganti, Lingling Mao, Pratap Vishnoi, Guang Wu, Quanlin Liu, Mercouri G. Kanatzidis, Richard D. Schaller, Ram Seshadri|2022|Chem.Mater.|34|3206|doi:10.1021/acs.chemmater.1c04408
description: Related Article: Shuxin Wang|2022|CSD Communication|||
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.cc298n7h
title: CCDC 2123476: Experimental Crystal Structure Determination

description: Related Article: Shuxin Wang, Emily E. Morgan, Shobhana Panuganti, Lingling Mao, Pratap Vishnoi, Guang Wu, Quanlin Liu, Mercouri G. Kanatzidis, Richard D. Schaller, Ram Seshadri|2022|Chem.Mater.|34|3206|doi:10.1021/acs.chemmater.1c04408
description: Related Article: Shuxin Wang|2022|CSD Communication|||
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.