cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17034/7d12b2fe-39bb-48e4-8070-330ceabdcf0b
title: Dataset for "Investigating the Mechanism and Origins of Selectivity in Palladium-Catalysed Carbene Insertion Cross-Coupling Reactions"

description: Dataset for "Investigating the Mechanism and Origins of Selectivity in Palladium-Catalysed Carbene Insertion Cross-Coupling Reactions" Abstract: The mechanism of palladium-catalysed carbene insertion cross-coupling reactions was studied by variable time normalisation analysis (VTNA), NMR spectroscopy, tandem eletrospray ionisation-mass spectrometry (ESI-MS), and density functional theory calculations. VTNA revealed a zero-order dependence on benzyl bromide and base, a first-order dependence on diazo substrate and Pd, and a negative first-order dependence on the PPh3 ligand. These results suggest rate determining carbene formation and the existence of an off-cycle bisphosphine turnover determining intermediate prior to this step. A time-adjusted same excess protocol showed that, while the catalytic cycle was stable, an induction period was present when the Pd:PPh3 ratio was greater than 1:3. NMR spectroscopic study revealed a large degree of phosphorous speciation, with control experiments allowing each species present to be identified. The turnover determining intermediate implicated during kinetic studies was identified, along with a second, η3-benzyl, turnover determining intermediate placed off the catalytic cycle after carbene insertion but prior to β-hydride elimination. ESI-MS of the reaction mixture was conducted, providing additional evidence for the existence of both turnover determining intermediates. Theoretical investigations suggest carbene insertion as the origin of selectivity, rather than β-hydride elimination as is generally assumed. Selectivity during carbene insertion was found to be governed by frontier molecular orbital interactions which heavily favour (E)-selectivity. Energy span and degree of TOF control analysis strongly support experimental observations and mechanistic rationale, validating theoretical work. Beyond defining aspects of the mechanism of palladium carbene insertion reactions, this study reveals that, when a pendant migrating group is present, carbene insertion is the selectivity determining step. These results can be used to rationalise unexpectedly high selectivities reported for similar reactions in the literature, suggesting this to be a general model for selectivity in palladium-catalysed carbene insertion reactions. File Contents: DFT 1) Excel worksheet containing extracted DFT energies 2) Associated Gaussian come and log files for geometry optimisation, single point energy (ecp2), and IRC calculations Experimental 1) Kinetics - Data for individual runs including excel sheets with processed data. Desciprtive metadata within each folder 2) NMR - Raw and processed NMR spectroscopic data 3) Mass Spec - Raw Mass Spec data
DOI: 10.34740/kaggle/dsv/4426567
title: 💥📰 Daily Breaking News Twitter Dataset
DOI: 10.48420/21428262
title: Enacting Internationalisation Document Analysis.xlsx

description: This dataset is based on documentary analysis of UK HEI internationalisation strategies and secondary quantitative data on the institutional level.
DOI: 10.48420/21428262.v1
title: Enacting Internationalisation Document Analysis.xlsx

description: This dataset is based on documentary analysis of UK HEI internationalisation strategies and secondary quantitative data on the institutional level.
DOI: 10.48420/21429192
title: XRD analysis of freeze-dried MXene powder - PANalytical X'Pert Pro

description: Run typical, coupled θ:2θ scan of freeze-dried and powdered Ti3C2 MXene synthesis product to confirm successful synthesis and lack of decomposition during long-term storage
DOI: 10.48420/21429192.v1
title: XRD analysis of freeze-dried MXene powder - PANalytical X'Pert Pro

description: Run typical, coupled θ:2θ scan of freeze-dried and powdered Ti3C2 MXene synthesis product to confirm successful synthesis and lack of decomposition during long-term storage
DOI: 10.5517/ccdc.csd.cc2c2x3h
title: CCDC 2177536: Experimental Crystal Structure Determination

description: Related Article: Yulia. A. Trukhanova, Dar'ya V. Spiridonova, Valery N. Yuskovets, Igor P. Yakovlev, Elena V. Kuvaeva, Dmitry Yu Ivkin, Tamara L. Semakova|2022|Chem. Data Collect.|42|100954|doi:10.1016/j.cdc.2022.100954
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.cc2c2x8n
title: CCDC 2177541: Experimental Crystal Structure Determination

description: Related Article: Yulia. A. Trukhanova, Dar'ya V. Spiridonova, Valery N. Yuskovets, Igor P. Yakovlev, Elena V. Kuvaeva, Dmitry Yu Ivkin, Tamara L. Semakova|2022|Chem. Data Collect.|42|100954|doi:10.1016/j.cdc.2022.100954
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.7054316
title: Dataset for: Stronger Response to the Aerosol Indirect Effect due to Cooling in Remote Regions

description: Data and Python scripts for generating the figures in Huusko, L., Modak, A., & Mauritsen, T. (2022): Stronger Response to the Aerosol Indirect Effect due to Cooling in Remote Regions. <em>Geophysical Research Letters</em>, 49, e2022GL101184. https://doi.org/10.1029/2022GL101184
DOI: 10.5519/qd.xt75ttbl
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1 records)
DOI: 10.34740/kaggle/dsv/4426599
title: AutoXGB
DOI: 10.17188/1191094
title: Materials Data on Mg by Materials Project

description: Mg is Magnesium structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Mg atoms to form a mixture of corner, edge, and face-sharing MgMg12 cuboctahedra. There are six shorter (3.18 Å) and six longer (3.20 Å) Mg–Mg bond lengths.
DOI: 10.18140/flx/1440214
title: FLUXNET2015 DE-Lkb Lackenberg

description: This is the FLUXNET2015 version of the carbon flux data for the site DE-Lkb Lackenberg.
DOI: 10.6084/m9.figshare.11378517
title: CT_Data_GranularMedia_SE

description: Segmented CT data of several glass bead samples.
DOI: 10.18140/flx/1440125
title: FLUXNET2015 AU-How Howard Springs

description: This is the FLUXNET2015 version of the carbon flux data for the site AU-How Howard Springs.
DOI: 10.18140/flx/1440134
title: FLUXNET2015 CH-Lae Laegern

description: This is the FLUXNET2015 version of the carbon flux data for the site CH-Lae Laegern.
DOI: 10.18140/flx/1440158
title: FLUXNET2015 FI-Hyy Hyytiala

description: This is the FLUXNET2015 version of the carbon flux data for the site FI-Hyy Hyytiala.
DOI: 10.18140/flx/1440188
title: FLUXNET2015 ZA-Kru Skukuza

description: This is the FLUXNET2015 version of the carbon flux data for the site ZA-Kru Skukuza.
DOI: 10.18140/flx/1440206
title: FLUXNET2015 AU-Whr Whroo

description: This is the FLUXNET2015 version of the carbon flux data for the site AU-Whr Whroo.
DOI: 10.18140/flx/1440207
title: FLUXNET2015 AU-Wom Wombat

description: This is the FLUXNET2015 version of the carbon flux data for the site AU-Wom Wombat.
DOI: 10.18140/flx/1440236
title: FLUXNET2015 IT-SR2 San Rossore 2

description: This is the FLUXNET2015 version of the carbon flux data for the site IT-SR2 San Rossore 2.
DOI: 10.18742/19935014
title: Data journals and data papers in the humanities

description: This collection contains five sets of datasets: 1) Publication counts from two multidisciplinary humanities data journals: the <em>Journal of Open Humanities Data</em> and <em>Research Data in the Humanities and Social Sciences </em>(RDJ_JOHD_Publications.csv); 2) A large dataset about the performance of research articles in HSS exported from dimensions.ai (allhumss_dims_res_papers_PUB_ID.csv); 3) A large dataset about the performance of datasets in HSS harvested from the Zenodo REST API (Zenodo.zip); 4) Impact and usage metrics from the papers published in the two journals above (final_outputs.zip); 5) Data from Twitter analytics on tweets from the @up_johd account, with paper DOI and engagement rate (twitter-data.zip). <br> Please note that, as requested by the Dimensions team, for 2 and 4, we only included the Publication IDs from Dimensions rather than the full data. Interested parties only need the Dimensions publications IDs to retrieve the data; even if they have no Dimensions subscription, they can easily get a no-cost agreement with Dimensions, for research purposes, in order to retrieve the data.
DOI: 10.5066/p986ile2
title: Surface Displacement Observations of the 2019 Ridgecrest, California Earthquake Sequence

description: Surface rupture associated with the 2019 Ridgecrest, California earthquake sequence includes the dominantly left-lateral and northeast-striking M6.4 rupture and dominantly right-lateral and northwest-striking M7.1 rupture. This data release includes surface-displacement observations of these ruptures made by teams of federal, state, academic, and private sector geologists between July and November 2019. These displacement observations describe laterally and/or vertically displaced cultural and geomorphic features. Displacement data included in this release are a subset of rupture observations included in a Seismological Society of America Data Mine article (Ponti et al., in press). Our intent is to compile a complete set of field measurements for the M6.4 and M7.1 ruptures for the purpose of evaluating patterns of surface displacement along fault strike. In evaluating the original data, we synthesized duplicate and repeated measurements at a site and combined some measurements across zones of complex faulting (e.g., subparallel fault strands). We excluded some measurements with insufficient documentation, possible transcription errors, and/or questionable location accuracies, or those that may not have captured total displacement across multiple rupture strands. Additional discussion of these data is included in a companion journal article (DuRoss et al., 2020, Bulletin of the Seismological Society of America, https://doi.org/10.1785/0120200058).
DOI: 10.6073/pasta/7f47439df0e09f1dcc6f0da77d5cc558
title: Dryland soil mycobiome response to long-term precipitation variability at the Jornada Basin LTER site, 2013-2019

description: This dataset contains data and code for the paper "Dryland soil mycobiome response to long-term precipitation variability depends on host type" published in Journal of Ecology in 2022. Data were collected at the Jornada Basin LTER site in southern New Mexico, USA. Soil samples were sent to the University of Georgia, for DNA extraction and sequencing, performed at the Georgia Genomics and Bioinformatics Core in Athens, GA. Sequencing data are archived at NCBI under project identifier PRJNA884111.
DOI: 10.5281/zenodo.3605003
title: Climate reconstructions for the SMPDSv1 modern pollen data set

description: The dataset contains estimates of three bioclimatic variables at modern pollen sites from the SMPDSv1 modern pollen data set (Harrison, 2019). The bioclimatic variables are mean temperature of the coldest month (MTCO), growing degree days above 0°C (GDD0), and an annual Moisture Index, defined as the ratio of annual precipitation to annual potential evapotranspiration (MI). Estimates of these bioclimatic variables were derived using geographically-weighted regression of gridded climate data in order to correct for elevation differences between each pollen site and the corresponding grid cell. The climatological data (mean monthly temperature, precipitation, and fractional sunshine hours) were derived from the CRU CL v2.0 gridded dataset of modern (1961-1990) surface climate at 10 arc minute resolution (~18 km) (New et al., 2002).Geographically- weighted regression (GWR) was carried out in ArcGIS (v10.3, ESRI, 2014). A fixed bandwidth kernel of 1.06 ° (~140km) was used in the GWR because this optimized model diagnostics and reduced spatial clustering of residuals relative to other bandwidths. The climate of each pollen site was then estimated based on its longitude, latitude, and elevation. MTCO was taken directly from the GWR regression. GDD0 were estimated from daily data using a mean-conserving interpolation of the monthly mean temperatures. MI was calculated for each pollen site using code modified from SPLASH v1.0 (Davis et al., 2017) based on daily values of precipitation, temperature and sunshine hours again obtained using a mean-conserving interpolation of the monthly values of each.
description: This data set provides bioclimate estimates for modern pollen sites from the SMPDS data set (Harrison, 2019)
DOI: 10.48670/moi-00262
title: Mediterranean Sea Significant Wave Height extreme from Reanalysis
DOI: 10.3886/icpsr04027.v1
title: Michigan Student Study: Opinions, Expectations, and Experiences of Undergraduate Students, 1990-1994
title: Version 1

description: The Michigan Student Study was designed to examine the factors that influence students' intellectual responses to issues of racial and ethnic diversity. The focus was not only on the attitudes and experiences of students of color (Asian American, Latino/Hispanic, African American and Native American students) but on the contribution of diversity to the broader intellectual experiences of White students as well. The longitudinal design of the Michigan Study allowed for consideration of what students bring to the university at entrance, as well as documenting important changes as they move toward graduation. One set of questions addressed the general undergraduate experience of students at the University of Michigan, the positive and negative aspects of their experiences with faculty, interactions with fellow students, extracurricular involvements, reactions to their academic and intellectual experiences, and how similar or different the experiences of students of different racial/ethnic backgrounds were. Another set of questions dealt with the racial "climate" on campus, the degree of racial tension, the students' perceptions of and responses to the University's commitment to multiculturalism and diversity, the perceptions and views that students brought to the campus and how much they were affected and changed by their experiences at the University of Michigan, the positive aspects and specific arenas of concern for the various groups of students around multiculturalism, and the relevancy of the University's commitment to multiculturalism and diversity.
description: Response Rates: 57 percent: fall 1990, 60 percent: winter 1991, 52 percent: winter 1992, 73 percent: winter 1994
description: Datasets: 
 
 DS1: Dataset
description: (1) Copies of all papers written on the basis of these data should be sent to John Matlock. (2) Related information can be found at Michigan Student Study, http://www.umich.edu/~oami/mss/index.htm.
description: Students entering the University of Michigan as undergraduates in the fall of 1990.
description: Respondents to surveys sent to students in the fall of 1990. The random sample of White students in the follow-up survey was chosen in a ratio of 3 to 2 of respondents and nonrespondents of the Entrance Survey (Fall 1990).
DOI: 10.5281/zenodo.6539467
title: Greedy optimization of the geometry of Majorana Josephson junctions

description: Code used to produce figures of "Greedy optimization of the geometry of Majorana Josephson junctions".
DOI: 10.5281/zenodo.6539468
title: Greedy optimization of the geometry of Majorana Josephson junctions

description: Code used to produce figures of "Greedy optimization of the geometry of Majorana Josephson junctions".
DOI: 10.5281/zenodo.7266609
title: Greedy optimization of the geometry of Majorana Josephson junctions

description: Code used to produce figures of "Greedy optimization of the geometry of Majorana Josephson junctions".
DOI: 10.17632/jzhr7ftwgf.1
title: Assessing the limits of Co-Pi for sustainable water oxidation: Eventual loss of phosphate and compensated passivation for efficient OER activity in alkaline solutions

description: Water oxidation efficiency of CoPi films at both neutral and alkaline conditions with a thorough assessment of the Electrochemical parameters and observed decline of phosphate moieties at high pH.
DOI: 10.3886/e180921
title: Supplementary Data for: Homeownership and Portfolio Choice over the Generations

description: Supplementary PSID data for the paper "Homeownership and Portfolio Choice over the Generations"
DOI: 10.3886/e180921v1
title: Supplementary Data for: Homeownership and Portfolio Choice over the Generations

description: Supplementary PSID data for the paper "Homeownership and Portfolio Choice over the Generations"
DOI: 10.5281/zenodo.7154170
title: Data: Acoustic disturbance in blue mussels: sound-induced valve closure varies with pulse train speed but does not affect phytoplankton clearance rate

description: Data abstract: Data on mussels' valve gape behaviour and phytoplankton clearance during sound exposure trials. We provide the raw data, processed data, scripts to process the raw data, make plots, and run the statistics. Paper abstract: Anthropogenic sound has increasingly become part of the marine soundscape and may negatively affect animals across all taxa. Invertebrates, including bivalves, received limited attention even though they make up a significant part of the marine biomass and are very important for higher trophic levels. Behavioural studies are critical to evaluate individual and potentially population-level impact of noise and can be used to compare the effects of different sounds. In the current study, we examined the effect of impulsive sounds with different pulse rates on the valve gape behaviour and phytoplankton clearance rate of blue mussels (<em>Mytilus</em> spp.<em>)</em>. We monitored the mussels’ valve gape using an electromagnetic valve gape monitor, and their clearance rate using spectrophotometry of phytoplankton densities in the water. We found that the mussels’ valve gape was positively correlated with their clearance rate, but the sound exposure did not significantly affect the clearance rate or reduce the valve gape of the mussels. They did close their valves upon the onset of a pulse train, but the majority of the individuals recovered to pre-exposure valve gape levels during the exposure. Individuals that were exposed to faster pulse trains returned to their baseline valve gape faster. Our results show that different sound exposures can affect animals differently, which should be taken into account for noise pollution impact assessments and mitigation measures. Paper reference: Hubert, J., Moens, R., Witbaard, R., Slabbekoorn, H. (2022). Acoustic disturbance in blue mussels: sound-induced valve closure varies with pulse train speed but does not affect phytoplankton clearance rate. <em>ICES Journal of Marine Science</em>. DOI: 10.1093/icesjms/fsac193.
DOI: 10.5281/zenodo.7154169
title: Data: Acoustic disturbance in blue mussels: sound-induced valve closure varies with pulse train speed but does not affect phytoplankton clearance rate

description: Data abstract: Data on mussels' valve gape behaviour and phytoplankton clearance during sound exposure trials. We provide the raw data, processed data, scripts to process the raw data, make plots, and run the statistics. Paper abstract: Anthropogenic sound has increasingly become part of the marine soundscape and may negatively affect animals across all taxa. Invertebrates, including bivalves, received limited attention even though they make up a significant part of the marine biomass and are very important for higher trophic levels. Behavioural studies are critical to evaluate individual and potentially population-level impact of noise and can be used to compare the effects of different sounds. In the current study, we examined the effect of impulsive sounds with different pulse rates on the valve gape behaviour and phytoplankton clearance rate of blue mussels (<em>Mytilus</em> spp.<em>)</em>. We monitored the mussels’ valve gape using an electromagnetic valve gape monitor, and their clearance rate using spectrophotometry of phytoplankton densities in the water. We found that the mussels’ valve gape was positively correlated with their clearance rate, but the sound exposure did not significantly affect the clearance rate or reduce the valve gape of the mussels. They did close their valves upon the onset of a pulse train, but the majority of the individuals recovered to pre-exposure valve gape levels during the exposure. Individuals that were exposed to faster pulse trains returned to their baseline valve gape faster. Our results show that different sound exposures can affect animals differently, which should be taken into account for noise pollution impact assessments and mitigation measures. Paper reference: Hubert, J., Moens, R., Witbaard, R., Slabbekoorn, H. (2022). Acoustic disturbance in blue mussels: sound-induced valve closure varies with pulse train speed but does not affect phytoplankton clearance rate. <em>ICES Journal of Marine Science</em>. DOI: 10.1093/icesjms/fsac193.
DOI: 10.6084/m9.figshare.21435651
title: Transcriptomic data recover a new superfamily-level phylogeny of Cucujiformia (Coleoptera, Polyphaga)

description: Twelve phylogenetic datasets used in this study.
DOI: 10.6084/m9.figshare.21435651.v1
title: Transcriptomic data recover a new superfamily-level phylogeny of Cucujiformia (Coleoptera, Polyphaga)

description: Twelve phylogenetic datasets used in this study.
DOI: 10.5519/qd.xhykfpat
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (9520 records)
DOI: 10.5281/zenodo.7266698
title: Observing the quantum topology of light

description: Includes all experimental data and simulation data in the manuscript "Observing the quantum topology of light"
DOI: 10.5281/zenodo.7266697
title: Observing the quantum topology of light

description: Includes all experimental data and simulation data in the manuscript "Observing the quantum topology of light"
DOI: 10.6084/m9.figshare.21435750
title: 求解不确定环境下再制造调度问题的改进型NSGA-II算法

description: 这是题为“求解不确定环境下再制造调度问题的改进型NSGA-II算法”手稿的实验数据。
DOI: 10.6084/m9.figshare.21435750.v1
title: 求解不确定环境下再制造调度问题的改进型NSGA-II算法

description: 这是题为“求解不确定环境下再制造调度问题的改进型NSGA-II算法”手稿的实验数据。
DOI: 10.6084/m9.figshare.21369855.v1
title: Supplementary Material - Ecological networks of an Antarctic ecosystem: a full description of non-trophic interactions

description: Data of non-trophic interactions of Potter Cove marine ecosystem and bibliography searching process.