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

description: A dataset containing 52 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Oxalis dillenii",
 "Country is United Kingdom of Great Britain and Northern Ireland",
 "HasCoordinate is true"
 ]
}

 The dataset includes 52 records from 11 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0016019-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17155222
title: Matrix of myxomicetes in Colombia

description: Colombia is a country that, due to its geographical position, has a variety of ecosystems where myxomycetes, organisms typically known as mucilaginous moulds, are likely to develop. Therefore, it was necessary to collect information on the diversity of myxomycetes recorded in Colombia, for subsequent classification by geographical regions. We found 468 species identified mostly in the Andean region, we also identified that the most frequent families are Physaraceae, Aryriaceae, Didymiaceae and Stemontidiaceae and the most recorded species is A. cinerea. Even so, we can conclude that little research has been carried out on these microorganisms in the country, which makes it difficult to establish how diverse myxomycetes are and to understand their communities, their environmental importance, and their possible useful functions for humans.
DOI: 10.5281/zenodo.17155223
title: Matrix of myxomicetes in Colombia

description: Colombia is a country that, due to its geographical position, has a variety of ecosystems where myxomycetes, organisms typically known as mucilaginous moulds, are likely to develop. Therefore, it was necessary to collect information on the diversity of myxomycetes recorded in Colombia, for subsequent classification by geographical regions. We found 468 species identified mostly in the Andean region, we also identified that the most frequent families are Physaraceae, Aryriaceae, Didymiaceae and Stemontidiaceae and the most recorded species is A. cinerea. Even so, we can conclude that little research has been carried out on these microorganisms in the country, which makes it difficult to establish how diverse myxomycetes are and to understand their communities, their environmental importance, and their possible useful functions for humans.
DOI: 10.5281/zenodo.17154490
title: Dataset for 'Extracting symplectic maps for space charge dominated beams'

description: This is a repository containing datasets made openly available in support of the paper 'Extracting symplectic maps for space charge dominated beams' (doi: 10.1103/jykb-d8f1).

fig_2_gunE_data.txt : RF gun on-axis E field and derivatives data (in IMPACT-T discrete field input format) 

fig_2_gunsolB_data.txt : Gun solenoid on-axis B field and derivatives data (in IMPACT-T discrete field input format)

fig_3_data.txt : 6D phase space data generated by IMPACT-T; used for plotting Fig. 3 of paper

fig_4_data.txt : 6D phase space data generated by IMPACT-T; used for plotting Fig. 4 of paper

fig_5_0.01_datapoint_input_particles.txt, fig_5_0.02_datapoint_input_particles.txt, fig_5_0.06_datapoint_input_particles.txt, fig_5_0.08_datapoint_input_particles.txt : 6D phase-space data with test particles (input used for IMPACT-T simulations) which are 1, 2, 6 and 8% of RMS CeC beam size respectively. Used to simulate and calculate data points for Fig. 5.

fig_5_0.04_datapoint_input_particles.txt : 6D phase-space data with test particles (input used for IMPACT-T simulations) which are 4% of RMS CeC beam size. This is used as input for simulations to calculate matrices reported for the CeC example considered in Section 4, 5 and Appendix B of the paper. Also used to calculate data point for Fig. 5.

fig_6a_data.xlsx, fig_6b_data.xlsx, fig_6b_data.xlsx : 6D phase space data generated by IMPACT-T which demonstrates clumping behavior shown in Fig. 6 of paper.

ImpactT_cec.in : ImpactT lattice input file. Along with files for Fig. 2 for discrete field data input and Figs. 3, 4, 5, or 6 for input particles, and an installation of IMPACT-T (v3.1.2 or later), it should be possible to run the simulations relevatn to the data in the paper.

Readme_cec.txt : Instructions to run IMPACT-T simulations for data used in the paper.
DOI: 10.6084/m9.figshare.30161299
title: Data files

description: Data files used for the analyses and figures in the manuscript titled "Successful suppression of <i>Aedes aegypti</i> with the Sterile Insect Technique also results in larger female mosquitoes"
DOI: 10.6084/m9.figshare.30161299.v1
title: Data files

description: Data files used for the analyses and figures in the manuscript titled "Successful suppression of <i>Aedes aegypti</i> with the Sterile Insect Technique also results in larger female mosquitoes"
DOI: 10.15468/dl.n8hrj9
title: Occurrence Download

description: A dataset containing 40895 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "Country is Canada",
 "GadmGid is CAN.9_1",
 "OccurrenceStatus is Present",
 "TaxonKey is Danaus plexippus",
 "Year 2004-2024"
 ]
}

 The dataset includes 40895 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0016021-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17155271
title: Introduction to Ancient Metagenomics Textbook (Edition 2025): Taxonomic Profiling, OTU Tables, and Visualisation

description: Data and conda software environment file for the chapter 'Taxonomic Profiling, OTU Tables, and Visualisation' of the SPAAM Community's textbook: Introduction to Ancient Metagenomics (https://www.spaam-community.org/intro-to-ancient-metagenomics-book).
DOI: 10.5281/zenodo.8413138
title: Introduction to Ancient Metagenomics Textbook (Edition 2025): Taxonomic Profiling, OTU Tables, and Visualisation

description: Data and conda software environment file for the chapter 'Taxonomic Profiling, OTU Tables, and Visualisation' of the SPAAM Community's textbook: Introduction to Ancient Metagenomics (https://www.spaam-community.org/intro-to-ancient-metagenomics-book).
DOI: 10.15468/dl.eyq5mf
title: Occurrence Download

description: A dataset containing 7 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Scapharca satowi",
 "HasCoordinate is true",
 "BasisOfRecord is one of (Observation, Machine Observation, Human Observation, Occurrence evidence)",
 {
 "not" : {
 "OccurrenceStatus" : [
 "is one of (Absent)"
 ]
 }
 }
 ]
}

 The dataset includes 7 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0016022-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.mr24tm
title: Occurrence Download

description: A dataset containing 10 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Auchenipterus britskii)",
 "BasisOfRecord is one of (Specimen, Literature Occurrence, Human Observation, Observation)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1991",
 "Year is less than or equal to 2025"
 ]
}

 The dataset includes 10 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0016023-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7tq2zc
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Saururus cernuus",
 "Country is Austria",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0016024-250914085247600/datasets/export for details.
DOI: 10.15468/dl.3d7k4j
title: Occurrence Download

description: A dataset containing 625 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Saururus cernuus",
 "Country is Belgium",
 "HasCoordinate is true"
 ]
}

 The dataset includes 625 records from 11 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0016025-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.7910/dvn/mioesn
title: Data for: A Gender-agnostic Inclusive Estimation for Resting Metabolic Rate

description: Data for: A Gender-agnostic Inclusive Estimation for Resting Metabolic Rate. Excel file with the following: Age (years), Height (cm), Mass (kg), Waist Girth (cm), Hip Girth (cm) W-H-Ratio, Resting HR (bpm), RMR (kcal/day)
DOI: 10.15468/dl.5tvqch
title: Occurrence Download

description: A dataset containing 12369 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Galearis spectabilis"
 ]
}

 The dataset includes 12369 records from 183 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0016026-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.j54erp
title: Occurrence Download

description: A dataset containing 95 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Saururus cernuus",
 "Country is France",
 "HasCoordinate is true"
 ]
}

 The dataset includes 95 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0016027-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.30161312
title: Volterra-type integral model for epidemic of COVID-19

description: A refined version of the stochastic Volterra integral model for an epidemic of the new corona virus SARS-CoV-2, causing the COVID-19 disease, is analysed. The system is constructed from the corresponding ordinary differential model by introducing the class of immunized individuals with the finite duration of immunity gained by vaccination. In addition, independent delays, represented as random time distribution functions, were introduced, which describe the duration of incubation, infectiousness, and immunity acquired through recovery from the disease or vaccination. Beside these refinements, the classical Ornstein–Uhlenbeck process is introduced as a model for the transmission coefficient describing the exposure of individuals from susceptible class. For this particular system, the existence and uniqueness of the positive global solution are proven. Furthermore, the conditions for extinction and persistence in mean of the disease are derived. The theoretical results are illustrated via numerical simulations.
DOI: 10.6084/m9.figshare.30161312.v1
title: Volterra-type integral model for epidemic of COVID-19

description: A refined version of the stochastic Volterra integral model for an epidemic of the new corona virus SARS-CoV-2, causing the COVID-19 disease, is analysed. The system is constructed from the corresponding ordinary differential model by introducing the class of immunized individuals with the finite duration of immunity gained by vaccination. In addition, independent delays, represented as random time distribution functions, were introduced, which describe the duration of incubation, infectiousness, and immunity acquired through recovery from the disease or vaccination. Beside these refinements, the classical Ornstein–Uhlenbeck process is introduced as a model for the transmission coefficient describing the exposure of individuals from susceptible class. For this particular system, the existence and uniqueness of the positive global solution are proven. Furthermore, the conditions for extinction and persistence in mean of the disease are derived. The theoretical results are illustrated via numerical simulations.
DOI: 10.15468/dl.tdexdn
title: Occurrence Download

description: A dataset containing 2788744 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is European Seabirds At Sea (ESAS)"
 ]
}

 The dataset includes 2788744 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0016013-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.u6ndtj
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Scapharca troscheli",
 "HasCoordinate is true",
 "BasisOfRecord is one of (Observation, Machine Observation, Human Observation, Occurrence evidence)",
 {
 "not" : {
 "OccurrenceStatus" : [
 "is one of (Absent)"
 ]
 }
 }
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0016028-250914085247600/datasets/export for details.
DOI: 10.5067/is-40e/tempo/no2_nrt_l2.002
title: TEMPO NO2 tropospheric and stratospheric columns V02 (NRT)
DOI: 10.6084/m9.figshare.25158408
title: Computational study of the piperidine and FtsZ interaction in <i>Salmonella</i> Typhi: implications for disrupting cell division machinery

description: FtsZ, a bacterial cell division protein, is essential for assembling the contractile Z-ring crucial in bacterial cytokinesis. Consequently, inhibiting FtsZ could impede proto-filaments, disrupting FtsZ and other associated proteins vital for cell division machinery. Conduct an <i>in-silico</i> drug interaction study to identify novel drug candidates that inhibit the FtsZ protein, aiming to prevent Multi-Drug Resistant (MDR) <i>Salmonella</i> Typhi. Data mining was performed based on piperidine compounds, which were subsequently screened for safe pharmacokinetic profiles. Compounds that met favorable drug-likeness criteria underwent virtual screening against the FtsZ drug target. Two compounds were chosen for molecular docking and molecular dynamic simulation to verify the binding affinity and stability between the target protein and the potential compounds. The 400 isoforms of piperidine analogues were curated, among them potent compound ZINC000000005416 found to possess high binding affinity (-8.49 kcal/mol) and low dissociation constant (0.597 µM). The highest binding affinity shown by ZINC000000005416 was validated by hydrogen bonds, hydrophobic interaction, and salt bridges with the functional domain of the cell division regulatory protein. Docking profiles, when correlated with molecular dynamic simulation (MDS) depicted stable trajectories and compatible conformational changes in the FtsZ-ZINC000000005416 complex. The stable simulated trajectories were validated through free-energy calculations using the Molecular Mechanics-Poisson Boltzmann Surface Area (MM/PBSA) module. Low energy conformations, although the simulation trajectory confirmed the stable ZINC000000005416-FtsZ interaction, which encouraged experimental validations. This study encourages further exploration of the compound ZINC000000005416 as a drug candidate inhibiting FtsZ protein against MDR <i>Salmonella</i> Typhi.
DOI: 10.6084/m9.figshare.25158408.v1
title: Computational study of the piperidine and FtsZ interaction in <i>Salmonella</i> Typhi: implications for disrupting cell division machinery

description: FtsZ, a bacterial cell division protein, is essential for assembling the contractile Z-ring crucial in bacterial cytokinesis. Consequently, inhibiting FtsZ could impede proto-filaments, disrupting FtsZ and other associated proteins vital for cell division machinery. Conduct an <i>in-silico</i> drug interaction study to identify novel drug candidates that inhibit the FtsZ protein, aiming to prevent Multi-Drug Resistant (MDR) <i>Salmonella</i> Typhi. Data mining was performed based on piperidine compounds, which were subsequently screened for safe pharmacokinetic profiles. Compounds that met favorable drug-likeness criteria underwent virtual screening against the FtsZ drug target. Two compounds were chosen for molecular docking and molecular dynamic simulation to verify the binding affinity and stability between the target protein and the potential compounds. The 400 isoforms of piperidine analogues were curated, among them potent compound ZINC000000005416 found to possess high binding affinity (-8.49 kcal/mol) and low dissociation constant (0.597 µM). The highest binding affinity shown by ZINC000000005416 was validated by hydrogen bonds, hydrophobic interaction, and salt bridges with the functional domain of the cell division regulatory protein. Docking profiles, when correlated with molecular dynamic simulation (MDS) depicted stable trajectories and compatible conformational changes in the FtsZ-ZINC000000005416 complex. The stable simulated trajectories were validated through free-energy calculations using the Molecular Mechanics-Poisson Boltzmann Surface Area (MM/PBSA) module. Low energy conformations, although the simulation trajectory confirmed the stable ZINC000000005416-FtsZ interaction, which encouraged experimental validations. This study encourages further exploration of the compound ZINC000000005416 as a drug candidate inhibiting FtsZ protein against MDR <i>Salmonella</i> Typhi.
DOI: 10.6084/m9.figshare.27686310
title: Discovering Lassa virus nucleoprotein inhibitors via in silico drug repositioning approach

description: Lassa fever, caused by the zoonotic Lassa virus (LASV), poses a significant health threat in Africa, leading to thousands of infections and deaths annually and has the potential to spread to other parts of the world. Despite the urgency for effective treatments, there are currently no approved drugs or vaccines for Lassa fever. LASV possesses a unique negative-sense RNA genome, and NP plays a crucial role in viral assembly and infection. Crystallographic analysis reveals distinct domains in NP, with the N-terminal domain involved in RNA binding and the C-terminal domain exhibiting exoribonuclease activity, suppressing type I interferon-mediated immune responses. This study explores the potential of repurposing existing FDA-approved drugs by targeting the N-terminal domain of LASV’s nucleoprotein (NP). Docking simulations and molecular dynamics experiments were conducted, revealing promising interactions between NP and widely used and well tolerated drugs such as metacycline, eltrombopag, glimepiride, lurasidone, paliperidone, prednisone, doxazosin, flavin mononucleotide, and pimozide. These drugs exhibited stable binding throughout 100 ns simulations, with interactions resembling those observed with the natural ligand, dTTP. Binding free energy calculations identified key amino acids, particularly Phe176 and Arg300, as crucial for drug-NP interactions. Notably, drugs like FMN, prednisone, metacycline, pimozide, and glimepiride displayed binding affinities comparable to dTTP, suggesting their potential as LASV inhibitors. The study underscores the importance of further experimental and clinical validation of these in silico findings. The identified drugs present promising candidates for potential treatments for Lassa fever, addressing the current gap in approved therapeutics for this life-threatening infectious disease.
DOI: 10.6084/m9.figshare.27686310.v1
title: Discovering Lassa virus nucleoprotein inhibitors via in silico drug repositioning approach

description: Lassa fever, caused by the zoonotic Lassa virus (LASV), poses a significant health threat in Africa, leading to thousands of infections and deaths annually and has the potential to spread to other parts of the world. Despite the urgency for effective treatments, there are currently no approved drugs or vaccines for Lassa fever. LASV possesses a unique negative-sense RNA genome, and NP plays a crucial role in viral assembly and infection. Crystallographic analysis reveals distinct domains in NP, with the N-terminal domain involved in RNA binding and the C-terminal domain exhibiting exoribonuclease activity, suppressing type I interferon-mediated immune responses. This study explores the potential of repurposing existing FDA-approved drugs by targeting the N-terminal domain of LASV’s nucleoprotein (NP). Docking simulations and molecular dynamics experiments were conducted, revealing promising interactions between NP and widely used and well tolerated drugs such as metacycline, eltrombopag, glimepiride, lurasidone, paliperidone, prednisone, doxazosin, flavin mononucleotide, and pimozide. These drugs exhibited stable binding throughout 100 ns simulations, with interactions resembling those observed with the natural ligand, dTTP. Binding free energy calculations identified key amino acids, particularly Phe176 and Arg300, as crucial for drug-NP interactions. Notably, drugs like FMN, prednisone, metacycline, pimozide, and glimepiride displayed binding affinities comparable to dTTP, suggesting their potential as LASV inhibitors. The study underscores the importance of further experimental and clinical validation of these in silico findings. The identified drugs present promising candidates for potential treatments for Lassa fever, addressing the current gap in approved therapeutics for this life-threatening infectious disease.
DOI: 10.6084/m9.figshare.25145998
title: Discovery of thiazolidinedione-based pancreatic lipase inhibitors as anti-obesity agents: synthesis, <i>in silico</i> studies and pharmacological investigations

description: A series of new 2,5-disubstituted arylidene derivatives of thiazolidinedione (<b>16a-e, 17a-d, 18a-c</b>) designed using molecular hybridization approach were synthesized, structurally characterized, and explored for their anti-obesity potential <i>via</i> inhibition of Pancreatic Lipase (PL). Compound <b>18a</b> presented the most potent PL inhibitory activity with IC<sub>50</sub> = 2.71 ± 0.31 µM, as compared to the standard drug, Orlistat (IC<sub>50</sub> = 0.99 µM). Kinetic study revealed reversible competitive mode of enzyme inhibition by compound <b>18a</b> with an inhibitory constant value of 1.19 µM. The most promising compound <b>18a</b> revealed satisfactory binding mode within the active site of the target protein (human PL, PDB ID: 1LPB). Also, MM/PBSA binding free energy and molecular dynamics (MD) simulation analysis were performed for the most promising compound <b>18a</b>, which showed potent inhibition according to the results of <i>in vitro</i> studies. Furthermore, a stable conformation of the 1LPB-ligand suggested the stability of this compound in the dynamic environment. The ADME and toxicity analysis of the compounds were examined using web-based online platforms. Results of <i>in vivo</i> studies confirmed the anti-obesity efficacy of compound <b>18a</b>, wherein oral treatment with compound <b>18a</b> (30 mg/kg) resulted in a significant reduction in the body weight, BMI, Lee index, feed intake (in Kcal), body fat depots and serum triglycerides. Compound <b>18a</b> significantly decreased the levels of serum total cholesterol (TC) to 128.6 ± 0.59 mg/dl and serum total triglycerides (TG) to 95.73 ± 0.67 mg/dl as compared to the HFD control group. The present study identified disubstituted TZD derivatives as a new promising class of anti-obesity agents.