cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.21942/uva.19665564.v1
title: Energy Measurements of 9 Rodinia Benchmarks executed on the Odroid-XU4.

description: This dataset contains power traces collected from the Odroid-XU4. The traces were collected with the Qoitech Otii at a sampling frequency of 4kHz. The traces are the result of executing nine Rodinia benchmarks (backpropagation, BFS, Heartwall, Hotspot, Kmeans, LU-Decomposition, Nearest Neighbour, NW, SRAD) on the Odroid-XU4. The benchmarks were executed on the LITTLE core, the big core and the GPU at different DVFS settings. <br> The "Archive.zip" file contains folders for each benchmark (e.g. backprop). In the folder you find more folders indicating on which core a benchmark was executed. Futhermore, the folder name also indicates if the GPU was used and at what frequency (in Hz). So the folder "core_1_GPU_177000000" contains power traces of the benchmark executed on core 1 using the GPU at 177MHz. The next level folder name indicates the CPU clock frequency (in kHz). <br> Finally, the lowest level contains the actual power traces. Each file contains 8 columns (Index, Time Stamp, Amp, Voltage, mWh, Kernel Running, original voltage, Watt). The file is a standard comma-separated file. So you can easily read it using for example "pandas.read_csv(file)". All columns should be self-explanatory, apart from the original voltage column. The Otii only records the voltage at 1kHz, whereas the current is recorded at 4kHz. This is no problem as the voltage is stable and we can fill in the missing values.
DOI: 10.6069/npax-yw78
title: Proteomic analysis of spermatozoa reveals caseins play a pivotal role in preventing short-term periods of subfertility in stallions

description: Stallions experience transient fluctuations in fertility throughout the breeding season. Considering pregnancy diagnoses cannot be ascertained until ~14 days post-breeding, the timely detection of decreases in stallion fertility would enhance industry economic and welfare outcomes. Therefore, this study aimed to identify the proteomic signatures reflective of short-term fertility fluctuations, and to determine the biological mechanisms governing such differences. Using LC-MS/MS, we compared the proteomic profile of semen samples collected from commercially ‘fertile’ stallions, during high- and low-fertility periods. A total of 1702 proteins were identified, of which, 38 showed a significant change in abundance (p ≤ 0.05). Assessment of intra- and inter-stallion variability revealed that caseins (namely κ-, α-S1 and α-S2-casein), were significantly more abundant during ‘high-fertility’ periods, while several epididymal, and seminal plasma proteins (chiefly, epididymal sperm binding protein 1 (ELSPbP1), horse seminal plasma protein 1 (HSP-1) and clusterin), were significantly more abundant during ‘low-fertility’ periods. We hypothesised that an increased abundance of caseins offers greater protection from potentially harmful seminal plasma proteins, thereby preserving cell functionality and fertility. In vitro exposure of spermatozoa to casein resulted in decreased levels of lipid scrambling (Merocyanine 540), higher abundance of sperm-bound caseins (α-S1, α-S2-, and κ-casein), and lower abundance of sperm-bound HSP-1 (p ≤ 0.05). This study demonstrates key pathways governing short-term fertility fluctuations in the stallion, thereby providing a platform to develop robust, fertility assessment strategies into the future.
DOI: 10.5281/zenodo.6634765
title: Do expectation-maximization algorithms have to make use of 'background distribution' for de novo motif search?

description: Data for the article "Do expectation-maximization algorithms have to make use of ‘background distribution’ for de novo motif search?". The preprint is now live on Research Square (DOI: 10.21203/rs.3.rs-1725972/v1 )
DOI: 10.5281/zenodo.6127468
title: The effects of methane clathrates on the thermal and seismic profile of Titan's icy lithosphere

description: Dataset and codes used in the publication of the same name. Two main folders include the data for the pure water ice model and a model with a 10 km clathrate lid. Within the main folders are SAC_files containing the synthetic seismograms and the Mineos surface wave dispersion data. The sac files are named by distance and component (vertical Z, East E or North N).
DOI: 10.5281/zenodo.6127467
title: The effects of methane clathrates on the thermal and seismic profile of Titan's icy lithosphere

description: Dataset and codes used in the publication of the same name. Two main folders include the data for the pure water ice model and a model with a 10 km clathrate lid. Within the main folders are SAC_files containing the synthetic seismograms and the Mineos surface wave dispersion data. The sac files are named by distance and component (vertical Z, East E or North N).
DOI: 10.5517/ccdc.csd.cc29fr1k
title: CCDC 2128368: Experimental Crystal Structure Determination

description: Related Article: Shuang Tang, Yue Gao, Shengwei Han, Jie Chi, Zhong Zhang, Guocheng Liu|2022|Polyhedron|223|115944|doi:10.1016/j.poly.2022.115944
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: 10.5281/zenodo.6639322
title: Data in support of Using target sequence capture to improve the phylogenetic resolution of a rapid radiation in New Zealand Veronica

description: Includes alignments and trees for the analysis found in Thomas et al. 2021, Using target sequence capture to improve the phylogenetic resolution of a rapid radiation in New Zealand Veronica; American Journal of Botany, Special Issue: Exploring Angiosperms353: a Universal Toolkit for Flowering Plant Phylogenomics. Alignments comprise subsets of Angiosperms353 genes given each filtering scheme (full, intersection, sortadate_BP, sortadate_TL) and gene type/subset (exons, introns, supercontigs), and for markers downloaded from GenBank, as explained in the Methods section of Thomas et al. 2021. Trees were included for each of these alignments from IQtree and Astral; SVDquartets tree was only estimated for the full set of supercontigs. Gene trees were generated with IQtree. Tree files are named differently than the final manuscript; refer to the number of genes specified in Fig 1 of Thomas et al, 2021 and specified in each filename to identify filtering scheme. Raw sequence reads are available on the Sequence Read Archive at http://www.ncbi.nlm.nih.gov/bioproject/715342.
description: Funding came from Society of Systematic Biologists; Linnean Society of London; Gates Cambridge Trust; Newnham College, University of Cambridge; and Department of Plant Sciences, University of Cambridge.
DOI: 10.5281/zenodo.6639321
title: Data in support of Using target sequence capture to improve the phylogenetic resolution of a rapid radiation in New Zealand Veronica

description: Includes alignments and trees for the analysis found in Thomas et al. 2021, Using target sequence capture to improve the phylogenetic resolution of a rapid radiation in New Zealand Veronica; American Journal of Botany, Special Issue: Exploring Angiosperms353: a Universal Toolkit for Flowering Plant Phylogenomics. Alignments comprise subsets of Angiosperms353 genes given each filtering scheme (full, intersection, sortadate_BP, sortadate_TL) and gene type/subset (exons, introns, supercontigs), and for markers downloaded from GenBank, as explained in the Methods section of Thomas et al. 2021. Trees were included for each of these alignments from IQtree and Astral; SVDquartets tree was only estimated for the full set of supercontigs. Gene trees were generated with IQtree. Tree files are named differently than the final manuscript; refer to the number of genes specified in Fig 1 of Thomas et al, 2021 and specified in each filename to identify filtering scheme. Raw sequence reads are available on the Sequence Read Archive at http://www.ncbi.nlm.nih.gov/bioproject/715342.
description: Funding came from Society of Systematic Biologists; Linnean Society of London; Gates Cambridge Trust; Newnham College, University of Cambridge; and Department of Plant Sciences, University of Cambridge.
DOI: 10.5281/zenodo.6639425
title: Dryas integrifolia decontaminated gx

description: .
DOI: 10.5281/zenodo.6639424
title: Dryas integrifolia decontaminated gx

description: .
DOI: 10.5281/zenodo.6617803
title: Interação dinâmica em Dípteros

description: Dados referente ao artigo de dinâmica da interação de dípteros.
DOI: 10.5281/zenodo.6617802
title: Interação dinâmica em Dípteros

description: Dados referente ao artigo de dinâmica da interação de dípteros.
DOI: 10.5281/zenodo.6639429
title: Ivindomyrus marchei decontaminated gx

description: .
DOI: 10.5281/zenodo.6639428
title: Ivindomyrus marchei decontaminated gx

description: .
DOI: 10.6069/2s10-3e63
title: Analytical Comparison of absolute quantification strategies to investigate the Insulin signaling pathway in fat cells

description: Mass spectrometry based targeted proteomics is the most sensitive approach to answer and address specific biological questions in an accurate and quantitative fashion. However, the data analysis design used for such quantification varies in the field leading to discrepancies in the reported values. In this study, different quantification strategies based on calibration curves were evaluated and compared. The best linearity was achieved when creating a calibration curve using the intensity to amount method. However, the best accuracy and coefficient of variation was achieved by ratio to ratio calibration curves. In addition, we also demonstrated how a LLOQ estimation in combination with one-point calibration can be utilized to conduct a less laborious strategy for absolute quantification. Finally, we applied the most accurate method ratio to ratio quantification to analyze very low abundant insulin signaling proteins such as PIK3 (0.34-0.9 fmol/mg), AKT1 (0.33-0.54 fmol/mg) and the Insulin receptor (0.34 -3.98 fmol/mg) and demonstrated that upon pathway perturbation the concentration of key proteins is dynamically adapted.
DOI: 10.5517/ccdc.csd.cc29jtg4
title: CCDC 2131326: Experimental Crystal Structure Determination

description: Related Article: Hiroaki Hagiwara, Souta Konomura|2022|CrystEngComm|24|4224|doi:10.1039/D2CE00501H
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.cc29jth5
title: CCDC 2131327: Experimental Crystal Structure Determination

description: Related Article: Hiroaki Hagiwara, Souta Konomura|2022|CrystEngComm|24|4224|doi:10.1039/D2CE00501H
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.cc29jtj6
title: CCDC 2131328: Experimental Crystal Structure Determination

description: Related Article: Hiroaki Hagiwara, Souta Konomura|2022|CrystEngComm|24|4224|doi:10.1039/D2CE00501H
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.cc29jtk7
title: CCDC 2131329: Experimental Crystal Structure Determination

description: Related Article: Hiroaki Hagiwara, Souta Konomura|2022|CrystEngComm|24|4224|doi:10.1039/D2CE00501H
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.cc299y2n
title: CCDC 2124711: Experimental Crystal Structure Determination

description: Related Article: Amita Singh, Ayushi Singh, Devyani Srivastava, Gabriele Kociok-Köhn, Randolf D. Köhn, Abhinav Kumar, Mohd. Muddassir|2022|CrystEngComm|24|4274|doi:10.1039/D2CE00536K
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.cc2b6jbf
title: CCDC 2151224: Experimental Crystal Structure Determination

description: Related Article: Ana M. Belenguer, Giulio I. Lampronti, Adam A. L. Michalchuk, Franziska Emmerling, Jeremy K. M. Sanders|2022|CrystEngComm|24|4256|doi:10.1039/D2CE00393G
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.cc28yh0r
title: CCDC 2113704: Experimental Crystal Structure Determination

description: Related Article: Yu Wang, Yaoyao Xu, Shahid Khan, Zhunjie Zhang, Ajmal Khan|2022|New J.Chem.|46|11138|doi:10.1039/D2NJ01065H
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.cc2bb53z
title: CCDC 2154720: Experimental Crystal Structure Determination

description: Related Article: Ashley E. Fricker, Erika Samolova, Arnold L. Rheingold, David B. Green, Kelsey R. Brereton, Joseph M. Fritsch|2022|Polyhedron|223|115946|doi:10.1016/j.poly.2022.115946
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.cc2bb540
title: CCDC 2154721: Experimental Crystal Structure Determination

description: Related Article: Ashley E. Fricker, Erika Samolova, Arnold L. Rheingold, David B. Green, Kelsey R. Brereton, Joseph M. Fritsch|2022|Polyhedron|223|115946|doi:10.1016/j.poly.2022.115946
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.cc2bb551
title: CCDC 2154722: Experimental Crystal Structure Determination

description: Related Article: Ashley E. Fricker, Erika Samolova, Arnold L. Rheingold, David B. Green, Kelsey R. Brereton, Joseph M. Fritsch|2022|Polyhedron|223|115946|doi:10.1016/j.poly.2022.115946
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.cc2bb562
title: CCDC 2154723: Experimental Crystal Structure Determination

description: Related Article: Ashley E. Fricker, Erika Samolova, Arnold L. Rheingold, David B. Green, Kelsey R. Brereton, Joseph M. Fritsch|2022|Polyhedron|223|115946|doi:10.1016/j.poly.2022.115946
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.cc2bb584
title: CCDC 2154725: Experimental Crystal Structure Determination

description: Related Article: Ashley E. Fricker, Erika Samolova, Arnold L. Rheingold, David B. Green, Kelsey R. Brereton, Joseph M. Fritsch|2022|Polyhedron|223|115946|doi:10.1016/j.poly.2022.115946
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.cc2bd193
title: CCDC 2156524: Experimental Crystal Structure Determination

description: Related Article: E. O. Minyaylo, A. I. Kudryavtseva, V. Y. Zubova, A. A. Anisimov, A. V. Zaitsev, V. A. Ol'shevskaya, F. M. Dolgushin, A. S. Peregudov, A. M. Muzafarov|2022|New J.Chem.|46|11143|doi:10.1039/D2NJ01266A
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.cc2bh2kh
title: CCDC 2159446: Experimental Crystal Structure Determination

description: Related Article: Monika Garg, Mayank K. Singh, Saylee Manohar Koli, Bojja Sreedhar, Sistla Ramakrishna, Jagadeesh Babu Nanubolu|2022|CrystEngComm|24|4235|doi:10.1039/D2CE00383J
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.cc2bh2lj
title: CCDC 2159447: Experimental Crystal Structure Determination

description: Related Article: Monika Garg, Mayank K. Singh, Saylee Manohar Koli, Bojja Sreedhar, Sistla Ramakrishna, Jagadeesh Babu Nanubolu|2022|CrystEngComm|24|4235|doi:10.1039/D2CE00383J
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.cc2bh2mk
title: CCDC 2159448: Experimental Crystal Structure Determination

description: Related Article: Monika Garg, Mayank K. Singh, Saylee Manohar Koli, Bojja Sreedhar, Sistla Ramakrishna, Jagadeesh Babu Nanubolu|2022|CrystEngComm|24|4235|doi:10.1039/D2CE00383J
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: 10.5066/f7833r7h
title: Irrigated Acreage in Tennessee Counties, 1934 to 2017 (ver. 1.1, June 2022)

description: Understanding the number of acres of farmland irrigated and the amount of water used for irrigation is central to water-resource planning and public decision making. The U.S. Geological Survey (USGS), in cooperation with the Tennessee Department of Environment and Conservation, Division of Water Resources (TDEC-DWR), compiled available 5-year, county-level data on irrigated acres in Tennessee from 1934 to 2017 from published reports by the U.S. Census Bureau and the U.S. Department of Agriculture. Other data published in this dataset are summary statistics for irrigated acreage in Tennessee from 1934-2017, the top counties with the largest number of irrigated acres for each reporting year, as well as a county-level analysis of changes in irrigated acreage for the 25 years between 1992-2017. Please refer to the Supplemental Information section of the metadata for information on the Census of Agriculture, table and variable structure, data comparability, missing data, and definitions. First release: 2018 Revised: June 2022 (ver. 1.1)
DOI: 10.6084/m9.figshare.17029778
title: Supporting data for publication: The Activation of Glycyl Radical Enzymes – Multiscale Modelling Insights into Catalysis and Radical Control in Pyruvate Formate-Lyase Activating Enzyme

description: Supporting data for the publication "The Control Mechanisms of Activation and Glycyl Radical Formation in Glycyl Radical Enzymes as Catalysed by the Pyruvate Formate-Lyase Activating Enzyme" by Marko Hanzevacki, Anna K. Croft, and Christof M. Jäger including: <br> - Directory PARAMETERS contains subdirectories with force field parameters, initial toplogy and coordinate files for MD simulations for each system: Gly-Peptide-PFL-AE, Gly-radical-Peptide-PFL-AE, S-Ala-Peptide-PFL-AE, R-Ala-Peptide-PFL-AE, Ala-radical-Peptide-PFL-AE, Gly-PFL and Gly-radical-PFL. - Directory DOCKING contains subfolders 1, 2 and 3 with force field parameters, topology and coordinates for best three docking complexes between Gly-C-terminus and PFL-AE. - Additional DOCKING structures for C-terminus docking added (C-TERMINUS-OPEN/CLOSED-DOCKING)<br> - Directory RSE contains Gaussian QM output files used to calculate the RSEs.<br> - Directory ONIOM contains subdirectories with Gaussian ONIOM outputs and pdb files used to calculate the H-abstraction profiles for each system: Gly-Peptide (6 structures), Ala-Peptide (6 structures), Gly-C-terminus (10 structures) and Ala-C-terminus (1 structure).<br>