cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.pvnzbc
title: Occurrence Download

description: A dataset containing 701 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Arctostaphylos andersonii A.Gray"
 ]
}

 The dataset includes 701 records from 25 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0038239-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25810/qt7k-6r09.64
title: Swedish Newspaper Coverage of Climate Change or Global Warming, 2000-2024 - August 2024

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: 10.15468/dl.8wdbd3
title: Occurrence Download

description: A dataset containing 6 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-84.49449 38.05119,-84.49563 38.05036,-84.49518 38.05005,-84.49409 38.05084,-84.49449 38.05119))",
 "TaxonKey is one of (Mammalia, Aves)"
 ]
}

 The dataset includes 6 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0038240-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5066/p9k782zo
title: Pesticide, organic-contaminant, and wastewater-indicator results for passive samplers deployed in surface water and groundwater in Hawaiʻi, 2015–19

description: The U.S. Geological Survey (USGS) deployed passive samplers at surface-water and groundwater sites on the Hawaiian Islands of Kauaʻi, Oʻahu, Maui, and Hawaiʻi for several weeks each during 2015–19. The passive samplers were deployed to assess the occurrence of pesticides and pesticide degradates, herein referred to as pesticides, in water at the sites. Some of the passive samplers were also used to assess the occurrence of additional organic contaminants and wastewater indicators in water at the sites. This dataset includes files with chemical results for the passive samplers. The chemical results include masses of pesticides that accumulated in the passive samplers and concentration values that represent the average concentrations of chemicals in water during the deployment of a passive sampler at a site. The data release includes five files. The first file (1_passive-sampler_sites.csv) contains information for each passive sampler that was deployed in water. The second file (2_pesticide_masses_POCIS.csv) contains mass values of pesticides that accumulated in polar-organic-chemical-integrative sampler (POCIS) units of passive samplers. The third file (3_pesticide_concentrations_POCIS.csv) contains concentration values of selected pesticides that accumulated in POCIS units of passive samplers. The fourth file (4_organic_contaminants_SPMD.csv) contains concentration values for organic contaminants that accumulated in semipermeable-membrane-device (SPMD) units of passive samplers. The organic contaminants include organochlorine pesticides, polybrominated diphenyl ether residues, total polychlorinated biphenyl residues, and polycyclic aromatic hydrocarbon residues. The fifth file (5_wastewater_indicators_POCIS.csv) contains results for pharmaceutical compounds and organic waste compounds that accumulated in the POCIS units of the passive samplers. The third file includes water-quality standards and benchmarks established by the State of Hawaii, the U.S. Environmental Protection Agency, and USGS. The USGS National Water Quality Laboratory (NWQL) determined the occurrence of pesticides and pharmaceutical compounds in POCIS units of passive samplers. The USGS Columbia Environmental Research Center (CERC) determined the occurrence of organic contaminants in SPMD units of passive samplers and determined the occurrence of organic waste compounds in POCIS units of the passive samplers.
DOI: 10.15468/dl.qmnsgy
title: Occurrence Download

description: A dataset containing 6 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-84.49449 38.05119,-84.49563 38.05036,-84.49518 38.05005,-84.49409 38.05084,-84.49449 38.05119))",
 "TaxonKey is one of (Mammalia, Aves)"
 ]
}

 The dataset includes 6 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0038241-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.tpuahy
title: Occurrence Download

description: A dataset containing 389 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Checklist and analysis of completeness of the reef fish fauna of the Revillagigedo Archipelago, Mexico: Fishes Checklist"
 ]
}

 The dataset includes 389 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0038242-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25810/c862-0e81.77
title: US Television Coverage of Climate Change or Global Warming, 2000-2024 - August 2024

description: The Media and Climate Change Observatory Data monitors 130 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: 10.6084/m9.figshare.27154443
title: Frieseomelitta_Bursera.xlsx

description: Foraging and collection of resin on <i>Bursera simaruba</i> roots by <i>Frieseomelitta nigra</i> on the coast of Veracruz, Mexico
DOI: 10.6084/m9.figshare.27154443.v1
title: Frieseomelitta_Bursera.xlsx

description: Foraging and collection of resin on <i>Bursera simaruba</i> roots by <i>Frieseomelitta nigra</i> on the coast of Veracruz, Mexico
DOI: 10.15468/dl.2a5ugs
title: Occurrence Download

description: A dataset containing 369 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Basilichthys microlepidotus (Jenyns, 1841)"
 ]
}

 The dataset includes 369 records from 17 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0038243-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.nzvbsk
title: Occurrence Download

description: A dataset containing 94 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Specimen, Human Observation)",
 "Geometry POLYGON((-117.06332 27.77972,-109.92002 17.01371,-93.96664 12.64148,-81.10869 3.2192,-74.67971 8.66422,-83.96601 22.17098,-92.77609 27.99018,-118.73009 34.89005,-117.06332 27.77972))",
 "HasGeospatialIssue is false",
 "TaxonKey is Cephalocereus apicicephalium E.Y.Dawson",
 "Year 1960-2024"
 ]
}

 The dataset includes 94 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0038245-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8gbrkr
title: Occurrence Download

description: A dataset containing 5431 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "Geometry POLYGON((-105.50121 32.45335,-105.50647 31.75236,-104.49706 31.78517,-104.44633 32.50191,-105.50121 32.45335))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "StateProvince is New Mexico",
 "TaxonKey is Tracheophyta"
 ]
}

 The dataset includes 5431 records from 57 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0038246-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7sjjw3
title: Occurrence Download

description: A dataset containing 3456 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "CoordinateUncertaintyInMeters 0.0-1000.0",
 "Geometry POLYGON((-125.3245 30.78385,-113.09867 30.78385,-113.09867 49.31501,-125.3245 49.31501,-125.3245 30.78385))",
 "TaxonKey is Centaurea solstitialis L."
 ]
}

 The dataset includes 3456 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0038247-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.13881782
title: Data_PhD_Mendoza_Veirana
DOI: 10.5281/zenodo.13881783
title: Data_PhD_Mendoza_Veirana
DOI: 10.5281/zenodo.10127613
title: Triangulene 2D polymers

description: Supporting information for triangulene 2D polymers.
DOI: 10.25810/gyv-zg57.77
title: New Zealand Newspaper Coverage of Climate Change or Global Warming, 2000-2024 - August 2024

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: 10.5281/zenodo.13882667
title: Contemporary Zoo Social Media, Content Analysis
DOI: 10.5281/zenodo.13882668
title: Contemporary Zoo Social Media, Content Analysis
DOI: 10.17909/69x5-m651
title: HH270/HH110 NIRCAM observations
DOI: 10.6084/m9.figshare.27154428
title: Breakpoints on chromosome 8 in breast cancer genomes cluster around breakpoints in EBV-associated cancer genomes.

description: Epstein-Barr virus (EBV) infection of mammary cells produces breast tumors in immunosuppressed mice and breast tissues from patients are about five times more likely to be EBV-positive than tissues from healthy controls. However, infection data are conflicting so a role for EBV in breast cancer is not broadly accepted. Malignant cells can lose EBV infection, but the virus may have left behind characteristic damage that caused the malignancy. Bioinformatic methods were developed to identify persistent viral damage in breast cancer genomes even if EBV infection has disappeared. Breast cancer cells exhibited residual epigenetic scars resembling cells with a cleared EBV infection. Epigenetic changes affecting breast cancer driver genes clustered around epigenetic changes in EBV-related cancers. Gene defects in hereditary breast cancers approximated tumor suppressive mechanisms deleted in EBV-associated cancers. Metabolic reprogramming in breast cancer was traced to EBV-related deletions. Focal amplifications and somatic hypermutation that drive breast cancer clustered around breakpoints in EBV-mediated cancers. These breakpoints may be due to EBV nucleases released by the lytic switch or to deregulated estrogen receptor-mediated responses. Alternate explanations were ruled out. The human genome contains fragments of an EBV oncogenic protein, but a childhood anti-EBV vaccine is still feasible to protect against breast cancer. Persistent damage from even a cleared viral infection emphasizes the health benefits of vaccinations.
DOI: 10.6084/m9.figshare.27154428.v1
title: Breakpoints on chromosome 8 in breast cancer genomes cluster around breakpoints in EBV-associated cancer genomes.

description: Epstein-Barr virus (EBV) infection of mammary cells produces breast tumors in immunosuppressed mice and breast tissues from patients are about five times more likely to be EBV-positive than tissues from healthy controls. However, infection data are conflicting so a role for EBV in breast cancer is not broadly accepted. Malignant cells can lose EBV infection, but the virus may have left behind characteristic damage that caused the malignancy. Bioinformatic methods were developed to identify persistent viral damage in breast cancer genomes even if EBV infection has disappeared. Breast cancer cells exhibited residual epigenetic scars resembling cells with a cleared EBV infection. Epigenetic changes affecting breast cancer driver genes clustered around epigenetic changes in EBV-related cancers. Gene defects in hereditary breast cancers approximated tumor suppressive mechanisms deleted in EBV-associated cancers. Metabolic reprogramming in breast cancer was traced to EBV-related deletions. Focal amplifications and somatic hypermutation that drive breast cancer clustered around breakpoints in EBV-mediated cancers. These breakpoints may be due to EBV nucleases released by the lytic switch or to deregulated estrogen receptor-mediated responses. Alternate explanations were ruled out. The human genome contains fragments of an EBV oncogenic protein, but a childhood anti-EBV vaccine is still feasible to protect against breast cancer. Persistent damage from even a cleared viral infection emphasizes the health benefits of vaccinations.
DOI: 10.5281/zenodo.12614627
title: From Ridge 2 Reef: An Interdisciplinary Model for Training the Next Generation of Environmental Problem Solvers

description: This dataset contains the raw data from the evaluation instruments and accompanies the manuscript: "From Ridge 2 Reef: An Interdisciplinary Model for Training the Next Generation of Environmental Problem Solvers". It contains all trainee and advisor interviews from 2018 - 2022, as well as a select few partner interviews. It also contains pre and post-annual trainee survey data and the codebook to decipher the survey data. Rubric criteria and scores are included for trainees enrolled in the R2R Communication Skills course. The R script contains the statistical analyses reported in the manuscript and code used to generate figures.
DOI: 10.5281/zenodo.8019086
title: From Ridge 2 Reef: An Interdisciplinary Model for Training the Next Generation of Environmental Problem Solvers

description: This dataset contains the raw data from the evaluation instruments and accompanies the manuscript: "From Ridge 2 Reef: An Interdisciplinary Model for Training the Next Generation of Environmental Problem Solvers". It contains all trainee and advisor interviews from 2018 - 2022, as well as a select few partner interviews. It also contains pre and post-annual trainee survey data and the codebook to decipher the survey data.
DOI: 10.15139/s3/lquscr
title: Advancing crash investigation with connected and automated vehicle data - Phase 2 [R42]

description: This project aims to identify training needs in the area of automated driving systems (ADS) for law enforcement officers and crash investigators to identify data available for connected and automated vehicles (CAV) that can augment modern crash investigation procedures. The objective of this project is to investigate these two topics by engaging professional collision investigators for perspectives on augmenting investigations with CAV data and reconnect with law enforcement to identify training gaps. The research findings and products will be of interest to law enforcement, state agencies such as DOT and DMV, private sector crash investigators, and advocates for safety such as AAA Foundation. This work expands on CSCRS Project R25 Advancing Crash Investigation with Connected and Automated Vehicle Data which focused exclusively on the perspectives of law enforcement officers. Two key findings of the previous work showed that law enforcement tended to focus their recommendations on current shortcomings in collision investigation data, rather than on an expansion of data collection capabilities, and this focus was likely related to a lack of exposure to ADS technology.
DOI: 10.5281/zenodo.13882682
title: EMG sensor Dataset
DOI: 10.5281/zenodo.13882683
title: EMG sensor Dataset
DOI: 10.5281/zenodo.13882673
title: From Ridge 2 Reef: An Interdisciplinary Model for Training the Next Generation of Environmental Problem Solvers

description: This dataset contains the raw data from the evaluation instruments and accompanies the manuscript: "From Ridge 2 Reef: An Interdisciplinary Model for Training the Next Generation of Environmental Problem Solvers". It contains all trainee and advisor interviews from 2018 - 2022, as well as a select few partner interviews. It also contains pre and post-annual trainee survey data and the codebook to decipher the survey data. Rubric criteria and scores are included for trainees enrolled in the R2R Communication Skills course. The R script contains the statistical analyses reported in the manuscript and code used to generate figures.
DOI: 10.5281/zenodo.8019085
title: From Ridge 2 Reef: An Interdisciplinary Model for Training the Next Generation of Environmental Problem Solvers

description: This dataset contains the raw data from the evaluation instruments and accompanies the manuscript: "From Ridge 2 Reef: An Interdisciplinary Model for Training the Next Generation of Environmental Problem Solvers". It contains all trainee and advisor interviews from 2018 - 2022, as well as a select few partner interviews. It also contains pre and post-annual trainee survey data and the codebook to decipher the survey data. Rubric criteria and scores are included for trainees enrolled in the R2R Communication Skills course. The R script contains the statistical analyses reported in the manuscript and code used to generate figures.
DOI: 10.15468/dl.aa6vjy
title: Occurrence Download

description: A dataset containing 36 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-140.96548 61.96979,-137.39314 59.73708,-136.7127 60.09857,-136.30868 59.99225,-134.05471 59.94972,-126.52729 59.67329,-127.33531 61.28935,-134.47999 64.37261,-140.68905 63.9686,-140.96548 61.96979))",
 "OccurrenceStatus is Present",
 "TaxonKey is one of (Trichophorum alpinum (L.) Pers., Trichophorum alpinum var. hudsonianum (Michx.) Pers., Scirpus hudsonianus (Michx.) Fernald)"
 ]
}

 The dataset includes 36 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0038248-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.10957127
title: Dataset for Assessing Charge Transfer Characteristics of Triphenylamine Derivatives
title: Supporting Data

description: This repository comprises various essential components, including Cartesian coordinates, input files, properties files generated by Orca, and a Python script enabling the complete recreation of the results.

The repository contains four main types of files:



Orca Inputs: These are utilized to compute properties of hole transporting materials associated to the power efficiency conversion of perovskite solar cells, such as reorganization energies, chemical reactivity parameters and transfer integrals.

DFTB+ Inputs: These files facilitate the optimization of molecular structures using the tight-binding method DFTB3-3ob-MBD.

Optimized Conformers:  Each file contains a set of conformers (xyz format) obtained through the global optimization procedure conducted with CREST.

Python Script: This script calculates transfer integrals using the DIPRO method.


Additionally, the repository includes r2scan-3c Orca gradient files (which encompass energy, gradient, and Cartesian coordinates in Bohr units), DFTB3-3ob-MBD optimized geometries, TD-DFT-M06/6-31G(d,p) Orca outputs, and properties files generated by Orca during the reorganization energy calculation step.

Requirements

To effectively utilize the contents of this repository, ensure you have the following:



The latest release of Orca, which can be downloaded for free from the official site: https://orcaforum.kofo.mpg.de/

Python, along with the cclib library, available at https://cclib.github.io. Ensure you have Python (version 3.7 or higher) and NumPy (version 1.15 or higher) installed.

The latest releases of CREST and xtb, both accessible from the Grimme Lab GitHub page: https://github.com/grimme-lab

The most recent version of DFTB+, which can be obtained from DFTB+ Official Site: https://dftbplus.org


These requirements are necessary for replicating and utilizing the results and functionalities provided by the repository effectively.

Python script

The python code files extract the data from Orca file output and perform the matrix and vector products to calculate and display the transfer integral.

The python script require three arguments: the momomer A and B and dimer orca output files:

     python Jeff-hole.py A.out B.out dimer.out

Acknowledgments 

Raul Flores acknowledges CONAHCYT for the postdoctoral fellowship (CVU: 365229). The authors gratefully acknowledge the computing time granted by LANCAD and CONAHCYT on the supercomputer Miztli at DGTIC UNAM.
DOI: 10.5281/zenodo.11391494
title: Dataset for Assessing Charge Transfer Characteristics of Triphenylamine Derivatives
title: Supporting Data

description: This repository comprises various essential components, including Cartesian coordinates, input files, properties files generated by Orca, and a Python script enabling the complete recreation of the results.

The repository contains four main types of files:



Orca Inputs: These are utilized to compute properties of hole transporting materials associated to the power efficiency conversion of perovskite solar cells, such as reorganization energies, chemical reactivity parameters and transfer integrals.

DFTB+ Inputs: These files facilitate the optimization of molecular structures using the tight-binding method DFTB3-3ob-MBD.

Optimized Conformers:  Each file contains a set of conformers (xyz format) obtained through the global optimization procedure conducted with CREST.

Python Script: This script calculates transfer integrals using the DIPRO method.


Additionally, the repository includes r2scan-3c Orca gradient files (which encompass energy, gradient, and Cartesian coordinates in Bohr units), DFTB3-3ob-MBD optimized geometries, TD-DFT-M06/6-31G(d,p) Orca outputs, and properties files generated by Orca during the reorganization energy calculation step.

Requirements

To effectively utilize the contents of this repository, ensure you have the following:



The latest release of Orca, which can be downloaded for free from the official site: https://orcaforum.kofo.mpg.de/

Python, along with the cclib library, available at https://cclib.github.io. Ensure you have Python (version 3.7 or higher) and NumPy (version 1.15 or higher) installed.

The latest releases of CREST and xtb, both accessible from the Grimme Lab GitHub page: https://github.com/grimme-lab

The most recent version of DFTB+, which can be obtained from DFTB+ Official Site: https://dftbplus.org


These requirements are necessary for replicating and utilizing the results and functionalities provided by the repository effectively.

Python script

The python code files extract the data from Orca file output and perform the matrix and vector products to calculate and display the transfer integral.

The python script require three arguments: the momomer A and B and dimer orca output files:

     python Jeff-hole.py A.out B.out dimer.out

Acknowledgments 

Raul Flores acknowledges CONAHCYT for the postdoctoral fellowship (CVU: 365229). The authors gratefully acknowledge the computing time granted by LANCAD and CONAHCYT on the supercomputer Miztli at DGTIC UNAM.