cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2h3d56
title: CCDC 2297167: Experimental Crystal Structure Determination

description: Related Article: Jarrod R. Thomas, Marcus J. Giansiracusa, Richard A. Mole, Scott A. Sulway|2023|Cryst.Growth Des.|24|573|doi:10.1021/acs.cgd.3c01380
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.cc2h3d78
title: CCDC 2297169: Experimental Crystal Structure Determination

description: Related Article: Jarrod R. Thomas, Marcus J. Giansiracusa, Richard A. Mole, Scott A. Sulway|2023|Cryst.Growth Des.|24|573|doi:10.1021/acs.cgd.3c01380
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.cc2h3d89
title: CCDC 2297170: Experimental Crystal Structure Determination

description: Related Article: Jarrod R. Thomas, Marcus J. Giansiracusa, Richard A. Mole, Scott A. Sulway|2023|Cryst.Growth Des.|24|573|doi:10.1021/acs.cgd.3c01380
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.cc2h3d9b
title: CCDC 2297171: Experimental Crystal Structure Determination

description: Related Article: Jarrod R. Thomas, Marcus J. Giansiracusa, Richard A. Mole, Scott A. Sulway|2023|Cryst.Growth Des.|24|573|doi:10.1021/acs.cgd.3c01380
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.cc2h3dcd
title: CCDC 2297173: Experimental Crystal Structure Determination

description: Related Article: Jarrod R. Thomas, Marcus J. Giansiracusa, Richard A. Mole, Scott A. Sulway|2023|Cryst.Growth Des.|24|573|doi:10.1021/acs.cgd.3c01380
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.cc2h3d23
title: CCDC 2297164: Experimental Crystal Structure Determination

description: Related Article: Jarrod R. Thomas, Marcus J. Giansiracusa, Richard A. Mole, Scott A. Sulway|2023|Cryst.Growth Des.|24|573|doi:10.1021/acs.cgd.3c01380
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.cc2h3d34
title: CCDC 2297165: Experimental Crystal Structure Determination

description: Related Article: Jarrod R. Thomas, Marcus J. Giansiracusa, Richard A. Mole, Scott A. Sulway|2023|Cryst.Growth Des.|24|573|doi:10.1021/acs.cgd.3c01380
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.cc2h3d67
title: CCDC 2297168: Experimental Crystal Structure Determination

description: Related Article: Jarrod R. Thomas, Marcus J. Giansiracusa, Richard A. Mole, Scott A. Sulway|2023|Cryst.Growth Des.|24|573|doi:10.1021/acs.cgd.3c01380
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.cc2h3dbc
title: CCDC 2297172: Experimental Crystal Structure Determination

description: Related Article: Jarrod R. Thomas, Marcus J. Giansiracusa, Richard A. Mole, Scott A. Sulway|2023|Cryst.Growth Des.|24|573|doi:10.1021/acs.cgd.3c01380
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.24996200.v1
title: <i>Osmia cornifrons</i> mortality

description: Data was collected using x-ray scans to validate individual development.
DOI: 10.6084/m9.figshare.24996200
title: <i>Osmia cornifrons</i> mortality

description: Data was collected using x-ray scans to validate individual development.
DOI: 10.5281/zenodo.10042187
title: QM and FF input and output files of Li(FSA)(SN)2 classic MD
DOI: 10.5281/zenodo.10042188
title: QM and FF input and output files of Li(FSA)(SN)2 classic MD
DOI: 10.5281/zenodo.10500538
title: Deciphering the co-evolutionary dynamics of  L2 β-lactamases via Deep learning

description: The data set contains all input files used to run the simulations and the trajectories obtained from the simulation runs.
DOI: 10.5281/zenodo.10500539
title: Deciphering the co-evolutionary dynamics of  L2 β-lactamases via Deep learning

description: The data set contains all input files used to run the simulations and the trajectories obtained from the simulation runs.
DOI: 10.6084/m9.figshare.24996245
title: Sex ratio of O. cornifrons fed on fungicide treated pollen

description: Number of females and males from larvae fed on fungicide treated pollen.
DOI: 10.5281/zenodo.10511216
title: Bad Practice versus Good Intentions: The Interdependencies of Perceived Governance Practice and the Success of Corporate Social Responsibility Activities
DOI: 10.5281/zenodo.10511217
title: Bad Practice versus Good Intentions: The Interdependencies of Perceived Governance Practice and the Success of Corporate Social Responsibility Activities
DOI: 10.5281/zenodo.10507450
title: Data from: Impact of the COVID-19 Pandemic on the Work Activity of Spanish Physical Therapists and Their Response to Vaccination

description: Due to the COVID-19 pandemic, physical therapists have had to adopt a set of specific protection measures, which have had an impact on their clinical activity and economy. The objective was to evaluate the impact of the COVID-19 pandemic on the work of Spanish physical therapists, as well as their attitudes and predisposition to vaccination. An online questionnaire was divided into five sections: (1) demographic and professional data; (2) labor impact; (3) precautions and infection-control measures; (4) economic impact; and (5) vaccine acceptance and adverse effects. Of the 666 participants, 62.1%showed a reduction in their working hours motivated by: fear of infection (p = 0.007), financial issues (p = 0.002) and being in quarantine or isolation (p < 0.001). Of these, 36.4% were forced to close the clinic, 62.7% requested help from the government, but only 12.04% mentioned that it was adequate. The main prevention measures adopted were the use of gels and masks and, in the private sector, disinfection with ozone or ultraviolet light (p < 0.05). The acceptance of the vaccine was high, 87.5%, being lower among the group over 40 years of age, self-employed, widowed or separated. More adverse effects were mentioned after receiving the AstraZeneca-Oxford vaccine, compared to Pfizer-BioNTech or Moderna. In conclusion, this study assessed for the first time that the COVID-19 pandemic in Spain had a negative impact on work and finances of physical therapists. The vaccine was widely accepted, in part by the economic impact that an infection in the work setting could signify.
DOI: 10.5281/zenodo.10507451
title: Data from: Impact of the COVID-19 Pandemic on the Work Activity of Spanish Physical Therapists and Their Response to Vaccination

description: Due to the COVID-19 pandemic, physical therapists have had to adopt a set of specific protection measures, which have had an impact on their clinical activity and economy. The objective was to evaluate the impact of the COVID-19 pandemic on the work of Spanish physical therapists, as well as their attitudes and predisposition to vaccination. An online questionnaire was divided into five sections: (1) demographic and professional data; (2) labor impact; (3) precautions and infection-control measures; (4) economic impact; and (5) vaccine acceptance and adverse effects. Of the 666 participants, 62.1%showed a reduction in their working hours motivated by: fear of infection (p = 0.007), financial issues (p = 0.002) and being in quarantine or isolation (p < 0.001). Of these, 36.4% were forced to close the clinic, 62.7% requested help from the government, but only 12.04% mentioned that it was adequate. The main prevention measures adopted were the use of gels and masks and, in the private sector, disinfection with ozone or ultraviolet light (p < 0.05). The acceptance of the vaccine was high, 87.5%, being lower among the group over 40 years of age, self-employed, widowed or separated. More adverse effects were mentioned after receiving the AstraZeneca-Oxford vaccine, compared to Pfizer-BioNTech or Moderna. In conclusion, this study assessed for the first time that the COVID-19 pandemic in Spain had a negative impact on work and finances of physical therapists. The vaccine was widely accepted, in part by the economic impact that an infection in the work setting could signify.
DOI: 10.5281/zenodo.10511236
title: Coriolis forces as driving forces in swimming sea animals

description: The main method of swimming of marine animals is the lateral oscillation of parts of their body. In this case, a longitudinal current arises along the body, dragging the animal’s body in a direction perpendicular to these vibrations. The mass forces in such a flow are Coriolis forces. The energy delivered by these forces far exceeds the energy expended by animals to create their own transverse vibrations. This energy allows animals to swim almost continuously and quickly, overcoming the resistance of the water. The source of energy is the Earth's gravitational field.
DOI: 10.5281/zenodo.10511237
title: Coriolis forces as driving forces in swimming sea animals

description: The main method of swimming of marine animals is the lateral oscillation of parts of their body. In this case, a longitudinal current arises along the body, dragging the animal’s body in a direction perpendicular to these vibrations. The mass forces in such a flow are Coriolis forces. The energy delivered by these forces far exceeds the energy expended by animals to create their own transverse vibrations. This energy allows animals to swim almost continuously and quickly, overcoming the resistance of the water. The source of energy is the Earth's gravitational field.
DOI: 10.6084/m9.figshare.24996233
title: <i>Osmia cornifrons</i> larvae mortality

description: Data collected from June to August of 2023, x-ray scan was used to dertemine larval development.
DOI: 10.25345/c5kk94p72
title: MassIVE MSV000093866 - GNPS sample from S rap AM submission for the GNPS analysis
title: I am looking for the secondary metabolites in the streptomyces strain and their derivatives present in the culture.
DOI: 10.6084/m9.figshare.24996317
title: Source Data file.zip

description: In this study, we introduced Uni-MOF, a novel framework for three-dimensional MOF representation learning on a large scale. Our goal is to achieve universal multi-gas adsorption prediction, making Uni-MOF the first comprehensive "gas adsorption estimator" for MOF materials.
DOI: 10.6084/m9.figshare.24269011.v1
title: DCTR files.

description: DCTRPackage.zip:Discrete Cosine Transform based Rapid (DCTR) code for rapid spectral calculations over inhomogeneous gas paths.HITEMP2010.zip:(OPTIONAL)HITEMP2010 data in binary format. The data from this zip file are expected to be placed within the folder \Data, which exists within the file structure within DCTRPackage.zip.
DOI: 10.5281/zenodo.10511311
title: Modified Del Nino Cardioplegia Study
DOI: 10.5281/zenodo.10511312
title: Modified Del Nino Cardioplegia Study
DOI: 10.5519/qd.bu8xly1t
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (824063 records)
DOI: 10.6084/m9.figshare.23618667
title: Customized R scripts and a data table for recombining genes assignments.

description: This repository contains files that complement the work by Pfeifer and Rocha on the recombination and conversion of phages, plasmids and phage-plasmids (preprint is here available: https://doi.org/10.1101/2023.08.08.552325).Following files are listed:A table (.zip) with information on the assignments of recombining genes between different types of mobile genetic elements. Recombining genes were defined as genes between dissimilar elements (gene repertoire relatedness, wGRR &lt; 0.1), but with high gene similarity (&gt;80% identity, &gt;80% sequence coverage, and no more than 25 highly related genes between two elements). The table includes recombining genes (assignments: "From-To") among 3585 phages, 20274 plasmids, and 1416 phage-plasmids. The IDs of genes, proteins, and genomes were sourced from the NCBI database. Protein percentage identity (pident), E-value, and bitscore were computed using MMseqs2 (see Methods), while alignment fractions (sequence coverage) were determined by dividing alignment lengths by sequence lengths (coverage_from, coverage_to).Customized R scripts are provided for computing wGRR (which may be memory-intensive), gene clustering using single linkage, quantification of gene flow, and enrichment tests (including Fisher tests).
DOI: 10.5519/qd.8uu6fboq
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (42 records)
DOI: 10.5281/zenodo.10511125
title: Global Marine Gravity Gradient Tensor Inverted from Altimetry-derived Deflections of the Vertical: CUGB2023GRAD

description: CUGB2023GRAD is a dataset consisting of all six components of Earth's gravity gradient tensor over the oceans. The gravity gradient tensor is inverted from 1 arc-minute grid of altimetry-derived north-south and east-west components of deflection of the vertical. CUGB2023GRAD has a longitudinal extent of 180° W ~180° E and a latitudinal extent of 80° S ~ 80° N.

This version used a merge of deflections of the vertical (north_32.1.nc and east_32.1.nc) developed by Scripps Institution of Oceanography, and DTU21GRA-derived deflections of the vertical. DTU21GRA is a highly accurate gravity anomaly model developed by Technical University of Denmark. Both sets of deflections of the vertical were developed from multiple satellite altimetry observations which include: Jason-1, Jason-2, Cryosat-2, SARAL/AltiKa, and Sentinel-3A/B.
DOI: 10.5281/zenodo.7710253
title: Global Marine Gravity Gradient Tensor Inverted from Altimetry-derived Deflections of the Vertical: CUGB2023GRAD

description: CUGB2023GRAD is a dataset consisting of all six components of Earth's gravity gradient tensor over the oceans. The gravity gradient tensor is inverted from 1 arc-minute grid of altimetry-derived north-south and east-west components of deflection of the vertical. CUGB2023GRAD has a longitudinal extent of 180° W ~180° E and a latitudinal extent of 80° S ~ 80° N.

This version used a merge of deflections of the vertical (north_32.1.nc and east_32.1.nc) developed by Scripps Institution of Oceanography, and DTU21GRA-derived deflections of the vertical. DTU21GRA is a highly accurate gravity anomaly model developed by Technical University of Denmark. Both sets of deflections of the vertical were developed from multiple satellite altimetry observations which include: Jason-1, Jason-2, Cryosat-2, SARAL/AltiKa, and Sentinel-3A/B.
DOI: 10.5281/zenodo.7710254
title: Global Marine Gravity Gradient Tensor Inverted from Altimetry-derived Deflection of the Vertical: CUGB2023GRAD

description: CUGB2023GRAD is a dataset consisting of all six components of Earth's gravity gradient tensor over the oceans. The gravity gradient tensor is inverted from 1 arc-minute grid of altimetry-derived north-south and east-west components of deflection of the vertical. The sea surface heights from Jason-1, Jason-2, HY-2A, Saral/AltiKa and Cryosat-2 missions were used: CUGB2023GRAD has a longitudinal extent of 180° W ~180° E and a latitudinal extent of 80° S ~ 80° N.
DOI: 10.34740/kaggle/dsv/7402337
title: Balochi Language to English Translation Dataset
DOI: 10.5281/zenodo.10499686
title: Datasets for the GHG Emissions Estimates of Hydropower Reservoirs in Vietnam Using G-res Tool

description: In G-res tool, the input parameters can be saved or exported in MER file format. These MER file can be reused  to  optimize the input datasets to estimate the emissions. The datatsets are asssociated to the publication titled as "The Greenhouse Gas Emission Estimates of Hydropower Reservoirs in Vietnam Using G-RES Tool: Bridging Climate Change Mitigation with Sustainability Frameworks. " 

The datasets can be modified with localized datasets for better accuracy. The initial results reported here provides gross estimations and  are not verified with the respective reservoir authorities.
DOI: 10.5281/zenodo.10499687
title: Datasets for the GHG Emissions Estimates of Hydropower Reservoirs in Vietnam Using G-res Tool

description: In G-res tool, the input parameters can be saved or exported in MER file format. These MER file can be reused  to  optimize the input datasets to estimate the emissions. The datatsets are asssociated to the publication titled as "The Greenhouse Gas Emission Estimates of Hydropower Reservoirs in Vietnam Using G-RES Tool: Bridging Climate Change Mitigation with Sustainability Frameworks. " 

The datasets can be modified with localized datasets for better accuracy. The initial results reported here provides gross estimations and  are not verified with the respective reservoir authorities.
DOI: 10.5281/zenodo.10511354
title: Datasets for the GHG Emissions Estimates of Hydropower Reservoirs in Vietnam Using G-res Tool

description: In G-res tool, the input parameters can be saved or exported in MER file format. These MER file can be reused  to  optimize the input datasets to estimate the emissions. The datatsets are asssociated to the publication titled as "The Greenhouse Gas Emission Estimates of Hydropower Reservoirs in Vietnam Using G-RES Tool: Bridging Climate Change Mitigation with Sustainability Frameworks. " 

The datasets can be modified with localized datasets for better accuracy. The initial results reported here provides gross estimations and  are not verified with the respective reservoir authorities.
DOI: 10.48577/jpl.ors2gp
title: A Waveguide-based Variable Attenuator for Terahertz Applications

description: This article presents a novel waveguide-based terahertz (THz) variable attenuator, integrated with a piezo-electric motor, to achieve precise and fine step values of signal attenuation. A low-resistivity silicon slab, coated with Titanium is inserted inside a waveguide that absorbs some of the electromagnetic waves traveling through the guide. Impedance matching is achieved by gradually perforating the silicon slab and thus, creating variable impedance needed for matching. The amount of signal absorbed by the slab is determined by the sheet resistance value of the metal coating and the position of the slab in the waveguide. A miniature nanometer-scale precision piezo electric motor is used for precise control of the signal attenuation. In this work, we present the attenuator design for a frequency band of 500-750 GHz where up to 40 dB of signal attenuation was achieved, using a 1.75 mm long silicon slab with a 25 nm Titanium metal coating. The presented variable attenuator design offers compactness, scalability, and easy integration with THz sources and receivers. Furthermore, the compact size and low power consumption open up possibilities for implementation on CubeSat/Smallsat/Drone-based platforms, further expanding its potential space applications.
DOI: 10.48577/jpl.rofhwd
title: Actuators linearization of a large volume environmental simulation chamber via pulse code modulation

description: Ultra-stable room-sized environmental chambers may involve significant powervariations leading to hysteresis and nonlinearities of the stabilization system.This paper describes utilization of a pulse code modulation control efficientlymitigating significant nonlinearity of the chamber actuation system. Stabilityof environmental conditions for temperature ΔT = ±25 mK (15-35oC dynamicrange), relative humidity ΔRh = ±0.1% (3-95% dynamic range), and pressureΔP = ±12 Pa (±500 Pa dynamic range) was achieved within 27 m3 chambervolume, which is two orders of magnitude better if compared with the stabilizationachievable using a standard linear proportional-integral-derivative (PID)controller. Utilizing the chamber we have demonstrated two orders of magnitudeimprovement of the operational relative frequency stability of ultrastablequartz oscillators, reaching 2 × 10−13 at 1 s-105 s averaging time.
DOI: 10.48577/jpl.6cvh6z
title: Stratospheric ozone depletion inside the volcanic plume shortly after the 2022 Hunga Tonga eruption

description: Near-term in-plume ozone depletion was observed for about 10 d by the Aura Microwave Limb Sounder (MLS) right after the January 2022 Hunga Tonga–Hunga Ha’apai (HTHH) eruption. This work analyzes the dynamic and chemical causes of this ozone depletion. The results show that the large water injection (150 Tg) from the HTHH eruption, with 0.0013 Tg injection of ClO (or 0.0009 Tg of HCl), causes ozone loss due to strongly enhanced HOx and ClOx cycles and their interactions. Aside from the gas-phase chemistry, the heterogeneous reaction rate for HOClCHCl!Cl2 CH2O increases to 104 cm􀀀3 s􀀀1 and is a major cause of chlorine activation, making this event unique compared with the springtime polar ozone depletion where HClCClONO2 is more important. The large water injection causes relative humidity over ice to increase to 70 %–100 %, decreases the H2SO4 =H2O binary solution weight percent to 35% compared with the 70% ambient value, and decreases the plume temperature by 2–6 K. These changes lead to high heterogeneous reaction rates. Plume lofting of ozone-poor air is evident during the first 2 d after the eruption, but ozone concentrations quickly recover because its chemical lifetime is short at 20 hPa. With such a large seawater injection, we expect that 5 Tg Cl was lifted into the stratosphere by the HTHH eruption in the form of NaCl, but only 0.02% of that remained as active chlorine in the stratosphere. Lightning NOx changes are probably not the reason for the HTHH initial in-plume O3 loss.