cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.23666292
title: Computational screening of pathogenic missense nsSNPs in heme oxygenase 1 (HMOX1) gene and their structural and functional consequences

description: Heme Oxygenase 1 (HMOX1) is a cytoprotective enzyme, exhibiting the highest activity in the spleen, catalyzing the heme ring breakdown into products of biological significance- biliverdin, CO, and Fe<sup>2+</sup>. In vascular cells, HMOX1 possesses strong anti-apoptotic, antioxidant, anti-proliferative, anti-inflammatory, and immunomodulatory actions. The majority of these activities are crucial for the prevention of atherogenesis. Single amino acid substitutions in proteins generated by missense non-synonymous single nucleotide polymorphism (nsSNPs) in the protein-encoding regions of genes are potent enough to cause significant medical challenges due to the alteration of protein structure and function. The current study aimed at characterizing and analyzing high-risk nsSNPs associated with the human <i>HMOX1</i> gene. Preliminary screening of the total available 288 missense SNPs was performed through the lens of deleteriousness and stability prediction tools. Finally, a total of seven nsSNPs (Y58D, A131T, Y134H, F166S, F167S, R183S and M186V) were found to be most deleterious by all tools that are present at highly conserved positions. Molecular dynamics simulations (MDS) analysis explained the mutational effects on the dynamic action of the wild-type and mutant proteins. In a nutshell, R183S (rs749644285) was identified as a highly detrimental mutation that could significantly render the enzymatic activity of <i>HMOX1.</i> The finding of this computational analysis might help subject the experimental confirmatory analysis to characterize the role of nsSNPs in <i>HMOX1.</i> Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.23807317
title: An immuno-informatics approach for annotation of hypothetical proteins and multi-epitope vaccine designed against the Mpox virus

description: A worrying new outbreak of Monkeypox (Mpox) in humans is caused by the Mpox virus (MpoxV). The pathogen has roughly 28 hypothetical proteins of unknown structure, function, and pathogenicity. Using reliable bioinformatics tools, we attempted to analyze the MpoxV genome, identify the role of hypothetical proteins (HPs), and design a potential candidate vaccine. Out of 28, we identified seven hypothetical proteins using multi-server validation with high confidence for the occurrence of conserved domains. Their physical, chemical, and functional characterizations, including molecular weight, theoretical isoelectric point, 3D structures, GRAVY value, subcellular localization, functional motifs, antigenicity, and virulence factors, were performed. We predicted possible cytotoxic T cell (CTL), helper T cell (HTL) and linear and conformational B cell epitopes, which were combined in a 219 amino acid multiepitope vaccine with human β defensin as a linker. This multi-epitopic vaccine was structurally modelled and docked with toll-like receptor-3 (TLR-3). The dynamical stability of the vaccine-TLR-3 docked complexes exhibited stable interactions based on RMSD and RMSF tests. Additionally, the modelled vaccine was cloned <i>in-silico</i> in an <i>E. coli</i> host to check the appropriate expression of the final vaccine built. Our results might conform to an immunogenic and safe vaccine, which would require further experimental validation. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.23666292.v1
title: Computational screening of pathogenic missense nsSNPs in heme oxygenase 1 (HMOX1) gene and their structural and functional consequences

description: Heme Oxygenase 1 (HMOX1) is a cytoprotective enzyme, exhibiting the highest activity in the spleen, catalyzing the heme ring breakdown into products of biological significance- biliverdin, CO, and Fe<sup>2+</sup>. In vascular cells, HMOX1 possesses strong anti-apoptotic, antioxidant, anti-proliferative, anti-inflammatory, and immunomodulatory actions. The majority of these activities are crucial for the prevention of atherogenesis. Single amino acid substitutions in proteins generated by missense non-synonymous single nucleotide polymorphism (nsSNPs) in the protein-encoding regions of genes are potent enough to cause significant medical challenges due to the alteration of protein structure and function. The current study aimed at characterizing and analyzing high-risk nsSNPs associated with the human <i>HMOX1</i> gene. Preliminary screening of the total available 288 missense SNPs was performed through the lens of deleteriousness and stability prediction tools. Finally, a total of seven nsSNPs (Y58D, A131T, Y134H, F166S, F167S, R183S and M186V) were found to be most deleterious by all tools that are present at highly conserved positions. Molecular dynamics simulations (MDS) analysis explained the mutational effects on the dynamic action of the wild-type and mutant proteins. In a nutshell, R183S (rs749644285) was identified as a highly detrimental mutation that could significantly render the enzymatic activity of <i>HMOX1.</i> The finding of this computational analysis might help subject the experimental confirmatory analysis to characterize the role of nsSNPs in <i>HMOX1.</i> Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.23807317.v1
title: An immuno-informatics approach for annotation of hypothetical proteins and multi-epitope vaccine designed against the Mpox virus

description: A worrying new outbreak of Monkeypox (Mpox) in humans is caused by the Mpox virus (MpoxV). The pathogen has roughly 28 hypothetical proteins of unknown structure, function, and pathogenicity. Using reliable bioinformatics tools, we attempted to analyze the MpoxV genome, identify the role of hypothetical proteins (HPs), and design a potential candidate vaccine. Out of 28, we identified seven hypothetical proteins using multi-server validation with high confidence for the occurrence of conserved domains. Their physical, chemical, and functional characterizations, including molecular weight, theoretical isoelectric point, 3D structures, GRAVY value, subcellular localization, functional motifs, antigenicity, and virulence factors, were performed. We predicted possible cytotoxic T cell (CTL), helper T cell (HTL) and linear and conformational B cell epitopes, which were combined in a 219 amino acid multiepitope vaccine with human β defensin as a linker. This multi-epitopic vaccine was structurally modelled and docked with toll-like receptor-3 (TLR-3). The dynamical stability of the vaccine-TLR-3 docked complexes exhibited stable interactions based on RMSD and RMSF tests. Additionally, the modelled vaccine was cloned <i>in-silico</i> in an <i>E. coli</i> host to check the appropriate expression of the final vaccine built. Our results might conform to an immunogenic and safe vaccine, which would require further experimental validation. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.23584508
title: Allosteric inhibition of dengue virus RNA-dependent RNA polymerase by <i>Litsea cubeba</i> phytochemicals: a computational study

description: RNA-dependent RNA polymerase (RdRp) is considered a potential drug target for dengue virus (DENV) inhibition and has attracted attention in antiviral drug discovery. Here, we screened 121 natural compounds from <i>Litsea cubeba</i> against DENV RdRp using various approaches of computer-based drug discovery. Notably, we identified four potential compounds (Ushinsunine, Cassameridine, (+)-Epiexcelsin, (−)-Phanostenine) with good binding scores and allosteric interactions with the target protein. Moreover, molecular dynamics simulation studies were done to check the conformational stability of the complexes under given conditions. Additionally, we performed post-simulation analysis to find the stability of potential drugs in the target protein. The findings suggest <i>Litsea cubeba</i>-derived phytomolecules as a therapeutic solution to control DENV infection. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.23584508.v1
title: Allosteric inhibition of dengue virus RNA-dependent RNA polymerase by <i>Litsea cubeba</i> phytochemicals: a computational study

description: RNA-dependent RNA polymerase (RdRp) is considered a potential drug target for dengue virus (DENV) inhibition and has attracted attention in antiviral drug discovery. Here, we screened 121 natural compounds from <i>Litsea cubeba</i> against DENV RdRp using various approaches of computer-based drug discovery. Notably, we identified four potential compounds (Ushinsunine, Cassameridine, (+)-Epiexcelsin, (−)-Phanostenine) with good binding scores and allosteric interactions with the target protein. Moreover, molecular dynamics simulation studies were done to check the conformational stability of the complexes under given conditions. Additionally, we performed post-simulation analysis to find the stability of potential drugs in the target protein. The findings suggest <i>Litsea cubeba</i>-derived phytomolecules as a therapeutic solution to control DENV infection. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.23691336.v9
title: Real-Time Crowd Monitoring Dataset Using Public Wi-Fi Infrastructure in Sri Chiang Mai Smart City

description: This project presents a real-time crowd monitoring dataset based on Sri Chiang Mai Smart City's public Wi-Fi infrastructure. Sri Chiang Mai's municipal government installed nine access points from which to collect the dataset. From May 2022 to June 2023, data was collected at one-minute intervals. This information was gathered in order to develop a real-time crowd monitoring application that would provide locals and tourists with information on crowd density at each location. This information can help individuals plan their travels and aid the municipal government in making informed decisions regarding the improvement of infrastructure and the enhancement of the quality of life in the smart city.
DOI: 10.6084/m9.figshare.25857670
title: <b>The global prevalence and potential determinants of resistant hypertension: a meta-analysis</b>

description: <b>The global prevalence and potential determinants of resistant hypertension: a meta-analysis</b>
DOI: 10.6084/m9.figshare.25857670.v1
title: <b>The global prevalence and potential determinants of resistant hypertension: a meta-analysis</b>

description: <b>The global prevalence and potential determinants of resistant hypertension: a meta-analysis</b>
DOI: 10.57841/casdc.0003499
title: W6Te6线中电荷密度波态的观测-原始数据
DOI: 10.57841/casdc.0003500
title: 通过范德瓦尔斯堆叠一维W6Te6线精确调控其能带结构和电子关联-原始数据
DOI: 10.57841/casdc.0003501
title: 通过模式相互作用在杂化等离激元波导中实现高效二次谐波产生-原始数据
DOI: 10.5519/qd.h65hr9fc
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1006 records)
DOI: 10.25442/hku.25115285
title: Supporting data for "The Relationship between Family Socioeconomic Status and Mathematics Achievement of Junior High School Students in Guangzhou, China: The Mediating Roles of Academic Buoyancy and Adaptability"

description: This study utilized an explanatory sequential mixed-methods design to examine the correlation between family socioeconomic status (SES), academic buoyancy, adaptability (cognitive-behavioral adaptability and affective adaptability), and mathematics achievement. The dataset consists of data collected in two phases, involving a questionnaire survey and mathematics test in the quantitative phase, as well as interview transcripts of students, parents, and math teachers in the qualitative phase. The questionnaire survey specifically focuses on assessing students’ family SES, academic buoyancy, and adaptability.
DOI: 10.25442/hku.25115285.v2
title: Supporting data for "The Relationship between Family Socioeconomic Status and Mathematics Achievement of Junior High School Students in Guangzhou, China: The Mediating Roles of Academic Buoyancy and Adaptability"

description: This study utilized an explanatory sequential mixed-methods design to examine the correlation between family socioeconomic status (SES), academic buoyancy, adaptability (cognitive-behavioral adaptability and affective adaptability), and mathematics achievement. The dataset consists of data collected in two phases, involving a questionnaire survey and mathematics test in the quantitative phase, as well as interview transcripts of students, parents, and math teachers in the qualitative phase. The questionnaire survey specifically focuses on assessing students’ family SES, academic buoyancy, and adaptability.
DOI: 10.25442/hku.25115285.v1
title: Supporting data for "The relationship between family socioeconomic status and academic buoyancy, adaptability and mathematics achievement of junior high school students in Guangzhou, China"

description: This study utilized an explanatory sequential mixed-methods design to examine the correlation between family socioeconomic status (SES), academic buoyancy, adaptability (cognitive-behavioral adaptability and affective adaptability), and mathematics achievement. The dataset consists of data collected in two phases, involving a questionnaire survey and mathematics test in the quantitative phase, as well as interview transcripts of students, parents, and math teachers in the qualitative phase. The questionnaire survey specifically focuses on assessing students’ family SES, academic buoyancy, and adaptability.
DOI: 10.6084/m9.figshare.25283341
title: Quantifying U.S. air pollution policy: How political and regional factors influence pollutant mitigation

description: This dataset contains data and code for the paper:Guoxing Zhang, Zhanglei Chen, Jiexun Li, Bin Su, Yang Gao, Lean Yu, Quantifying U.S. air pollution policy: How political and regional factors influence pollutant mitigation, <i>PNAS Nexus</i>, 2024;, pgae199, https://doi.org/10.1093/pnasnexus/pgae199Please cite the paper if you find those resources helpful.
DOI: 10.6084/m9.figshare.25857631
title: Codes and data for "Climate regulates the effects of abrupt vegetation shifts on soil moisture on the Loess Plateau, China"

description: The codes and dataset were used in article "Climate regulates the effects of abrupt vegetation shifts on soil moisture on the Loess Plateau, China"
DOI: 10.6084/m9.figshare.25283341.v4
title: Quantifying U.S. air pollution policy: How political and regional factors influence pollutant mitigation

description: This dataset contains data and code for the paper:Guoxing Zhang, Zhanglei Chen, Jiexun Li, Bin Su, Yang Gao, Lean Yu, Quantifying U.S. air pollution policy: How political and regional factors influence pollutant mitigation, <i>PNAS Nexus</i>, 2024;, pgae199, https://doi.org/10.1093/pnasnexus/pgae199Please cite the paper if you find those resources helpful.
DOI: 10.15468/dl.pe2me5
title: Occurrence Download

description: A dataset containing 52 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "TaxonKey is one of (Javeta pallida Baly, 1858, Contarinia sorghicola (Coquillett, 1899))"
 ]
}

 The dataset includes 52 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022803-240506114902167/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.nkrnvc
title: Occurrence Download

description: A dataset containing 4713 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Mexico",
 "TaxonKey is Pseudomyrmex Lund, 1831"
 ]
}

 The dataset includes 4713 records from 38 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022804-240506114902167/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.25124111.v1
title: <b>Deep Ocean warming-induced El Ni</b><b>ño changes under climate mitigation scenarios</b>

description: The code to calculate the data and create the figure.
DOI: 10.5281/zenodo.11218402
title: Regional velocity anomalies and slip distribution of the 2023 Kahramanmaraş, Türkiye Earthquakes

description: dvp.dat contains columns of longitude, latitude, depth (km), and dVp (%) relative to the 1-D reference model used in https://www.mdpi.com/2076-3263/11/2/91.

dvs.dat contains columns of longitude, latitude, depth (km) and dVs (%) relative to the 1-D reference model used in https://www.mdpi.com/2076-3263/11/2/91.

slip_model.csv contains columns of subfault node ID, UTM Zone 37 easting (m), UTM Zone 37 northing (m), depth (m), strike (o), dip (o), strike slip (m),dip slip (m) and associated primary fault (i.e. Southern East Anatolian fault (SEAF) and Savrun-Çardak-Sürgü fault (SCSF)). A positive strike slip refers to a right-lateral slip and a positive dip slip refers to a normal slip.
DOI: 10.6084/m9.figshare.25124111.v2
title: <b>Deep Ocean warming-induced El Ni</b><b>ño changes under climate mitigation scenarios</b>

description: The data used in this study are categorized for each figure.
DOI: 10.15468/dl.ef9w82
title: Occurrence Download

description: A dataset containing 334 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "Country is one of (Mexico, Panama, Colombia)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Porites panamensis Verrill, 1866"
 ]
}

 The dataset includes 334 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022805-240506114902167/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.25124111
title: <b>Deep ocean warming-induced El Ni</b><b>ño changes</b>

description: The data used in this study are categorized for each figure.
DOI: 10.6084/m9.figshare.25124111.v3
title: <b>Deep Ocean warming-induced El Ni</b><b>ño changes</b>

description: The data used in this study are categorized for each figure.
DOI: 10.6084/m9.figshare.25124111.v4
title: <b>Deep ocean warming-induced El Ni</b><b>ño changes</b>

description: The data used in this study are categorized for each figure.
DOI: 10.5281/zenodo.11218433
title: Volunteer

description: The Volunteer dataset includes 2038 volunteers, categorized into 5 classes (alleviation, emergency, environment, neighborhood, and training), with each volunteer's information consisting of two different text segments.  This dataset could be used for machine learning jobs such as clustering and classification. We also provided the code to transform the text to vectors for your reference.
DOI: 10.5281/zenodo.11218434
title: Volunteer

description: The Volunteer dataset includes 2038 volunteers, categorized into 5 classes (alleviation, emergency, environment, neighborhood, and training), with each volunteer's information consisting of two different text segments.  This dataset could be used for machine learning jobs such as clustering and classification. We also provided the code to transform the text to vectors for your reference.
DOI: 10.60893/figshare.adv.25749114
title: Supplement Number 1

description: data for covalent and ionic solids and calculations of ensemble descriptors
DOI: 10.60893/figshare.adv.25749114.v1
title: Supplement Number 1

description: data for covalent and ionic solids and calculations of ensemble descriptors
DOI: 10.5281/zenodo.11218457
title: Supplementary Data of Thesis
DOI: 10.5281/zenodo.11218458
title: Supplementary Data of Thesis
DOI: 10.15468/dl.ghjnys
title: Occurrence Download

description: A dataset containing 691 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Fiji",
 "Depth is greater than or equal to 1000.0m",
 "TaxonKey is Animalia"
 ]
}

 The dataset includes 691 records from 30 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022807-240506114902167/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.77xtak
title: Occurrence Download

description: A dataset containing 250 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Pyrolirion Herb."
 ]
}

 The dataset includes 250 records from 33 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022808-240506114902167/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.60893/figshare.jcp.25727001
title: Supporting Information

description: Text, figures and tables describing theoretical details
DOI: 10.60893/figshare.jcp.25727001.v1
title: Supporting Information

description: Text, figures and tables describing theoretical details
DOI: 10.15468/dl.gt54uh
title: Occurrence Download

description: A dataset containing 4713 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Mexico",
 "OccurrenceStatus is Present",
 "TaxonKey is Pseudomyrmex Lund, 1831"
 ]
}

 The dataset includes 4713 records from 38 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022809-240506114902167/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.y6nnay
title: Occurrence Download

description: A dataset containing 251 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Ranunculus marginatus d'Urv.",
 "Geometry POLYGON((-41.484375 73.022591,-41.484375 30.751277,88.593749 30.751277,88.593749 73.022591,-41.484375 73.022591))",
 "HasGeospatialIssue is false",
 "HasCoordinate is true"
 ]
}

 The dataset includes 251 records from 11 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005509-150615163101818/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.azmsu6
title: Occurrence Download

description: A dataset containing 11615 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Chloephaga poliocephala P.L.Sclater, 1857"
 ]
}

 The dataset includes 11615 records from 62 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0052709-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.crs3rr
title: Occurrence Download

description: A dataset containing 68 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Alouatta sara Elliot, 1910"
 ]
}

 The dataset includes 68 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0151337-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.aik4wk
title: Occurrence Download

description: A dataset containing 15953 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Algae (S)"
 ]
}

 The dataset includes 15953 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005509-150922153815467/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.kzwnyl
title: Occurrence Download

description: A dataset containing 49 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Costa Rica",
 "HasCoordinate is true",
 "TaxonKey is Nephila clavipes (Linnaeus, 1767)",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 49 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004896-191105090559680/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.