cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2fcf08
title: CCDC 2245299: Experimental Crystal Structure Determination

description: Related Article: Kurt Merzweiler, Dorothea Rohde|2023|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.cc2fcf2b
title: CCDC 2245301: Experimental Crystal Structure Determination

description: Related Article: Christoph Scheiper, Dieter Bläser, Christoph Wölper, Stephan Schulz|2023|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.cc2fcl8p
title: CCDC 2245462: Experimental Crystal Structure Determination

description: Related Article: Kurt Merzweiler, Christoph Wagner|2023|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.cc2fcnwc
title: CCDC 2245543: Experimental Crystal Structure Determination

description: Related Article: Dennis Dittrich, Christoph Wölper, Stephan Schulz|2023|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: 10.6084/m9.figshare.24889272
title: Supplementary Datasets

description: Publicly available datasets used in the manuscript.
DOI: 10.6084/m9.figshare.24889272.v1
title: Supplementary Datasets

description: Publicly available datasets used in the manuscript.
DOI: 10.5281/zenodo.10302507
title: Atomic diffusion in liquid gallium and gallium-nickel alloys probed by quasielastic neutron scattering and molecular dynamic simulations

description: Data Set for the Publication entitled:

 

Atomic diffusion in liquid gallium and gallium-nickel alloys probed by quasielastic neutron scattering and molecular dynamic simulations

 

by

 

A. Shahzad, F. Yang, J. Steffen, C. Neiss, A. Panchenko, K. Goetz, C. Vogel, M. Weisser, J.P. Embs, W. Petry, W. Lohstroh, A. Görling, I. Goychuk, T. Unruh

 

in the Journal of Physics: Condensed Matter, 2024

(https://doi.org/10.1088/1361-648X/ad1e9f)
DOI: 10.5281/zenodo.10302508
title: Atomic diffusion in liquid gallium and gallium-nickel alloys probed by quasielastic neutron scattering and molecular dynamic simulations

description: Data Set for the Publication entitled:

 

Atomic diffusion in liquid gallium and gallium-nickel alloys probed by quasielastic neutron scattering and molecular dynamic simulations

 

by

 

A. Shahzad, F. Yang, J. Steffen, C. Neiss, A. Panchenko, K. Goetz, C. Vogel, M. Weisser, J.P. Embs, W. Petry, W. Lohstroh, A. Görling, I. Goychuk, T. Unruh

 

in the Journal of Physics: Condensed Matter, 2024

(https://doi.org/10.1088/1361-648X/ad1e9f)
DOI: 10.5281/zenodo.7431613
title: S-DBpedia: A benchmark dataset for spatial knowledge graph completion

description: S-DBpedia is a collection of knowledge graph completion benchmark datasets extracted from DBpedia, with special focus on spatial information. The dataset also provides additional attribute information for entities.
DOI: 10.6084/m9.figshare.24886335.v1
title: Effects of environmental covariates on growth sensitivity

description: Equation 4: We examined the effects of species, mean climatologies and elevation at each site, and tree ontogeny, on <i>t</i><sub>FFD</sub>, <i>t</i><sub>SMD(</sub><sub><em>T</em></sub><sub>-1)</sub>, <i>t</i><sub>VPD(</sub><sub><em>T</em></sub><sub>-1)</sub>, <i>t</i><sub>SMD(</sub><sub><em>T</em></sub><sub>)</sub>, and <i>t</i><sub>VPD(</sub><sub><em>T</em></sub><sub>)</sub>, using a Generalized Additive Model (GAM). Variables characterizing tree ontogeny included tree age (years) and size (logBA) at time of sampling. To determine whether the splines vary with species, we run an interaction model of covariates. In this interaction model, the fitting process optimizes the performance where some species may behave differently from others, in interactions with environmental covariates.Equation 5: We were interested in knowing how climate sensitivity <i>t</i> depends smoothly on covariates, the hypothesis being that the effects of MAT and MAP are felt toward the cold and warm edges (or wet and dry edges) of the tree species' sample distributions. This hypothesis is tested by examining the confidence intervals (CIs) of the covariate’s predicted fits, which here are zero-centered. The null hypothesis ‘no edge effect’ is rejected whenever the CIs at the extremes or limits of the range of the species’ data exclude zero (see Figure S2; Simpson, 2018). All tests were two-sided, i.e., we made no hypothesis about the directionality of responses.The strength and significance of covariates was determined using the associated F-ratio and <i>P</i>-value. We used the ‘bam’ function, <i>k</i> =5, and the fREML method to fit these species’ models. The data contained in this folder are raw outputs from these models.A subset of the tree-ring data extracted from the CFS-TRenD repository is also included. <br>
DOI: 10.6084/m9.figshare.25076075
title: Vaccination Challenges Among Syrian Refugees

description: Exploring Vaccination Challenges Among Syrian Refugees in Jordan: Insights from Camps and Communities, and Perceived Parental Barriers to Childhood Vaccination Uptake
DOI: 10.6084/m9.figshare.25076075.v1
title: Vaccination Challenges Among Syrian Refugees

description: Exploring Vaccination Challenges Among Syrian Refugees in Jordan: Insights from Camps and Communities, and Perceived Parental Barriers to Childhood Vaccination Uptake
DOI: 10.13012/b2idb-2921318_v1
title: Monet - Blue Waters Network Dataset

description: This dataset contains collected and aggregated network information from NCSA’s Blue Waters system, which is comprised of 27,648 nodes connected via Cray Gemini* 3D torus (dimension 24x24x24) interconnect, from Jan/01/2017 to May/31/2017. Network performance counters for links are exposed via Cray's gpcdr (https://github.com/ovis-hpc/ovis/wiki/gpcdr-kernel-module) kernel module. Lightweight Distributed Metric Service ([LDMS](https://github.com/ovis-hpc/ovis)) is used to sampled the performance counters at 60 second intervals. Please read "README.md" file.


<b>Acknowledgement:</b>
This dataset is collected as a part of the Blue Waters sustained-petascale computing project, which is supported by the National Science Foundation and the state of Illinois. Blue Waters is a joint effort of the University of Illinois at Urbana-Champaign and its National Center for Supercomputing Applications.
DOI: 10.6084/m9.figshare.25076086.v1
title: The sulfur isotopic consequence of seawater sulfate distillation preserved in the Neoproterozoic Sete Lagoas post-glacial carbonate, eastern Brazil

description: README
DOI: 10.6084/m9.figshare.25076089.v1
title: The sulfur isotopic consequence of seawater sulfate distillation preserved in the Neoproterozoic Sete Lagoas post-glacial carbonate, eastern Brazil

description: fcas7
DOI: 10.6084/m9.figshare.25076083
title: The sulfur isotopic consequence of seawater sulfate distillation preserved in the Neoproterozoic Sete Lagoas post-glacial carbonate, eastern Brazil

description: params7
DOI: 10.6084/m9.figshare.25076083.v1
title: The sulfur isotopic consequence of seawater sulfate distillation preserved in the Neoproterozoic Sete Lagoas post-glacial carbonate, eastern Brazil

description: params7
DOI: 10.6084/m9.figshare.25076086
title: The sulfur isotopic consequence of seawater sulfate distillation preserved in the Neoproterozoic Sete Lagoas post-glacial carbonate, eastern Brazil

description: README
DOI: 10.6084/m9.figshare.25076089
title: The sulfur isotopic consequence of seawater sulfate distillation preserved in the Neoproterozoic Sete Lagoas post-glacial carbonate, eastern Brazil

description: fcas7
DOI: 10.6084/m9.figshare.25075991
title: <b>Raw Datasets for </b><b>Spatially Explicit Model for Assessing the Impacts of Groundwater Protection Measures in the Vicinity of the Hranice Abyss</b>

description: The daset presents data from the paper, that presents a spatially explicit model for quantification of the impacts of groundwater protection measures in a specific karst territory. The impacts were studied with regards to Storm Water Retention improvement and Land Surface Temperature cooling. The method for the evaluation is a combination of assessment of vulnerable areas using multicriteria analysis, hydrological modelling and Random Forest prediction model that downscales temperature data on 1x1 m surface. The model uses remote sensing with high resolution, namely LiDAR (50pt/m) point clouds, modelling of retention characteristics, quantification of vegetation and LANDSAT 8 satellite images to determine surface temperature. Land-use / Land cover (LULC) serves as a predictor for the model. Evaluation of changes is based on developing three hypothetical scenarios assuming LULC change upon which the effect of the change is verified in three parameters: protection of ground waters and mineral waters, capacity of retaining stormwater, and capacity of mitigating heat waves. The main finding is that the measures that aim primarily at groundwater protection affect also other parameters – surface temperature and retention capacity, while improving each of these parameters. In case of the retention capacity, it is by up to 32 % and in case of temperature it is a maximum of 8 %. As per the surface temperature, a significant variability has been found depending on the presence of field crops, and the model explains it. The model allows for prioritization of changes on the level of spatial units – in our case microbasins, thus allowing also for more precise targeting of the measures.
DOI: 10.13012/b2idb-4905767_v1
title: Experiment and simulation raw data for Electrical recognition of the twenty proteinogenic amino acids using an aerolysin nanopore

description: Raw MD simulation trajectory, input and configuration files, SEM current data, and experimental raw data accompanying the publication, "Electrical recognition of the twenty proteinogenic amino acids using an aerolysin nanopore". README.md contains a description of all associated files.
DOI: 10.25345/c5st7f760
title: MassIVE MSV000093934 - GNPS Hypoxylon investiens AT01_PD_UNESP
title: Extracts of incubation of AT01 (Hypoxylon investiens strain) from different medium cultures, including brown rice, peanuts, oats, hominy, potato-dextrose. HRMS-MS data in positive and negative mode and treated with precursor mass corrector.
DOI: 10.5281/zenodo.8042019
title: Neurometabolic profiles of bile duct ligated rats after the treatment with an urease inhibitor – 1H MRS dataset

description: 1H MRS in the cerebellum was used to study the effect of 2-octynohydroxamic acid (2-octynoHA) treatment on the brain of bile duct ligated (BDL) rats (type C hepatic encephalopathy). The study included four groups of rats: negative control group (rats received a drug-free solution), suspension group (rats received a suspension of 2-octynoHA; 30 mg/kg, twice daily), solution group (rats received a solution of 2-octynoHA, 30 mg/kg, twice daily) and capsule group (rats received 2-octynoHA in enteric capsules; 10 mg once daily). 1H MRS measurements were performed on day 39 post-BDL surgery corresponding to the last day of treatment. The dataset contains RAW spectra (metabolites and water)  prepared for LCModel quantification.


Funded by Carigest
DOI: 10.5281/zenodo.8042020
title: Neurometabolic profiles of bile duct ligated rats after the treatment with an urease inhibitor – 1H MRS dataset

description: 1H MRS in the cerebellum was used to study the effect of 2-octynohydroxamic acid (2-octynoHA) treatment on the brain of bile duct ligated (BDL) rats (type C hepatic encephalopathy). The study included four groups of rats: negative control group (rats received a drug-free solution), suspension group (rats received a suspension of 2-octynoHA; 30 mg/kg, twice daily), solution group (rats received a solution of 2-octynoHA, 30 mg/kg, twice daily) and capsule group (rats received 2-octynoHA in enteric capsules; 10 mg once daily). 1H MRS measurements were performed on day 39 post-BDL surgery corresponding to the last day of treatment. The dataset contains RAW spectra (metabolites and water)  prepared for LCModel quantification.


Funded by Carigest
DOI: 10.25810/gyv-zg57.69
title: New Zealand Newspaper Coverage of Climate Change or Global Warming, 2000-2023 - December 2023

description: The Media and Climate Change Observatory Data monitors 127 sources (across newspapers, radio and TV) in 59 countries in seven different regions around the world. Data is assembled by accessing archives through the Lexis Nexis, Proquest and Factiva databases via the University of Colorado libraries. More information may be found at: http://mecco.colorado.edu.
DOI: 10.17037/data.00003685
title: Promoting inclusion in decent work for Ugandan young people: will reducing violence help? Qualitative interview and focus group data

description: Qualitative data collected for the project "Promoting inclusion in decent work for Ugandan young people: will reducing violence help?". It is comprised of transcripts for 4 focus group discussions (FGDs), 24 in-depth interviews (IDIs) and 18 key informant interviews (KIIs).
description: In-depth interviews were administered using face-to-face using interview guides. The interviews were conducted in English or Luganda and audio recorded with the prior permission of study participants. Prior to the interviews, the details of the study were explained to the study participants and informed consent/assent was sought, where they were asked to sign a hard copy consent form.
For focus group discussions, participants were stratified by village, training and gender. Each focus group consisted of approximately six to eight participants. Focus groups were conducted by a facilitator and co-facilitator, who observed and took notes. Prior to the start of the focus group, the facilitator and co-facilitator obtained consent/assent from respondents to participate in the study and to audio-record the discussion. The facilitator used a semi-structured focus group guide to ensure that all components were discussed, but encouraged participants to elaborate through probes. The facilitator and co-facilitator debriefed at the end of the focus group to discuss themes that emerged during the discussion. Using the notes and encrypted audio-recording, the co-facilitator organised and cleaned the focus group notes, reviewed them for clarity, and added their reflections on the process, including barriers and facilitators to data collection. Co-facilitators’ notes were be used to supplement the transcripts.
DOI: 10.13012/b2idb-2712449_v1
title: Honeybee trophallaxis event data for The origin of heavy tails in honeybee and human interaction times

description: Filtered trophallaxis interactions for two honeybee colonies, each containing 800 worker bees and one queen. Each colony consists of bees that were administered a juvenile hormone analogy, a vehicle treatment, or a sham treatment to determine the effect of colony perturbation on the duration of trophallaxis interactions. Columns one and two display the unique identifiers for each bee involved in a particular trophallaxis exchange, and columns three and four display the Unix timestamp of the beginning/end of the interaction (in milliseconds), respectively.<br><b>Note</b>: the queen interactions were omitted from the uploaded dataset for reasons that are described in submitted manuscript. Those bees that performed poorly are also omitted from the final dataset.
DOI: 10.13012/b2idb-4021786_v1
title: Honeybee F2F event data for The origin of heavy tails in honeybee and human interaction times

description: Dataset for F2F events of honeybees. F2F events are defined as face-to-face encounters of two honeybees that are close in distance and facing each other but not connected by the proboscis, thus not engaging in trophallaxis. 
The first and the second columns show the unique id's of honeybees participating in F2F events. The third column shows the time at which the F2F event started while the fourth column shows the time at which it ended. Each time is in the Unix epoch timestamp in milliseconds.
DOI: 10.5281/zenodo.10519825
title: Variant Calling DNA SEQ Workflow

description: This tutorial shows the creation of a workflow capable of carrying out a variant calling analysis, using as input files coming from a study on the long-term evolution of an E. coli population (strain Ara -3). We'll carry out variant calling to see how the population has changed over time.

We want to understand how this population has changed compared to the original population, the REL606 strain of E. coli. Therefore, we will align each of our samples to the REL606 E. coli reference genome and see what differences exist in our reads compared to the genome.

The entire procedure is implemented to be performed comfortably with the interactive tools present in the Galaxy ToolShed.
DOI: 10.5281/zenodo.10519826
title: Variant Calling DNA SEQ Workflow

description: This tutorial shows the creation of a workflow capable of carrying out a variant calling analysis, using as input files coming from a study on the long-term evolution of an E. coli population (strain Ara -3). We'll carry out variant calling to see how the population has changed over time.

We want to understand how this population has changed compared to the original population, the REL606 strain of E. coli. Therefore, we will align each of our samples to the REL606 E. coli reference genome and see what differences exist in our reads compared to the genome.

The entire procedure is implemented to be performed comfortably with the interactive tools present in the Galaxy ToolShed.
DOI: 10.5281/zenodo.10573463
title: Variant Calling DNA SEQ Workflow

description: This tutorial shows the creation of a workflow capable of carrying out a variant calling analysis, using as input files coming from a study on the long-term evolution of an E. coli population (strain Ara -3). We'll carry out variant calling to see how the population has changed over time.

We want to understand how this population has changed compared to the original population, the REL606 strain of E. coli. Therefore, we will align each of our samples to the REL606 E. coli reference genome and see what differences exist in our reads compared to the genome.

The entire procedure is implemented to be performed comfortably with the interactive tools present in the Galaxy ToolShed.
DOI: 10.6084/m9.figshare.25076123
title: inpainting_axial_rmnet_weights.h5

description: inpainting weights axial t1<br>
DOI: 10.6084/m9.figshare.25076123.v1
title: inpainting_axial_rmnet_weights.h5

description: inpainting weights axial t1<br>
DOI: 10.6084/m9.figshare.25046987
title: Code and data

description: Decision-making requires processing of sensory information, comparing the gathered evidence to make a judgement, and performing the action to communicate it. How neuronal representations transform during this cascade of representations remains a matter of debate. Here, we studied the succession of neuronal representations in the primate prefrontal cortex. We trained monkeys to judge whether a pair of sequentially presented displays had the same number of items. We used a combination of single neuron and population-level analyses and discovered a sequential transformation of represented information with trial progression. While numerical values were initially represented with high precision and in conjunction with detailed information such as order, the decision was encoded in a low-dimensional subspace of neural activity. This decision encoding was invariant to both retrospective numerical values and prospective motor plans, representing only the binary judgment of 'same number' versus 'different number,' thus facilitating the generalization of decisions to novel number pairs. We conclude that this transformation of neuronal codes within the prefrontal cortex supports cognitive flexibility and generalizability of decisions to new conditions.
DOI: 10.6084/m9.figshare.25075208
title: Supplementary material from "Rich specialized insect damage on Pliocene leaves from the Mahuadanr Valley (India) growing under a warm climate with weak seasonality"

description: Plant-insect interactions play a crucial role in shaping terrestrial ecosystems, influencing abundance and distribution of plant species. In the present study, we investigated leaf-mining patterns on fossil leaves from Pliocene strata of the Mahuadanr Valley, Jharkhand, eastern India, deposited under a seasonal tropical climate and report complex interactions between plants and insects. We identified 11 distinct mining morphotypes. These morphotypes were mainly found on Dipterocarpaceae, Fabaceae, Lauraceae, and Moraceae; similar mining traces were also observed in the contemporary vegetation surrounding the fossil site. Although mining richness was relatively high, only 2.6% of all leaves in the fossil assemblage were mined. We compared mining richness and abundance values with previously reported values for galling. While richness was slightly lower for galling, almost 50% of all fossil leaves were galled. A literature survey on mining and galling patterns in modern vegetation suggests that there is no global explanation for richness of mining or gall-inducing insects. Thus, low nutrient availability in the ancient forest, dominance of semideciduous leaves with hard texture, different habitats in the same forest ecosystem, such as well-drained forest and riparian stands, may all have favored different types of specialized plant insect interactions.