cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.23909700
title: Supplementary Material for: Driving Automation for Older Adults with Preclinical Alzheimer’s Disease

description: Background: Older adults with preclinical Alzheimer’s disease (AD) show changes in on-road driving performance. The impact of preclinical AD on using automated vehicle (AV) technology is unknown. The aim was to evaluate safety and cognitive workload while operating AV technology in drivers with preclinical AD. Methods: This cross-sectional study included 40 participants: 19 older adults (age 74.16 ± 4.78; MOCA scores 26.42 ± 2.52) with preclinical AD, evidenced by elevated cortical beta-amyloid; and 21 controls (age 73.81 ± 5.62; MOCA scores 28.24 ± 1.67). All participants completed two scenarios in a driving simulator. Scenario 1 included conditional automation with an emergency event that required a manual take-over maneuver. Scenario 2 was identical but with a cognitive distractor task. Emergency response time was the main safety outcome measure. Cognitive workload was calculated using moment-to-moment changes in pupillary size and converted into an Index of Cognitive Activity (ICA). Mann-Whitney U and independent t-tests were used to compare group differences. Results: Emergency response times were similar between drivers with preclinical AD and controls in scenario 1 (20.85s ± 1.08 vs 20.52s ± 3.18; p = 0.83) and scenario 2 (14.83s ± 7.37 vs 13.45s ± 10.43; p = 0.92). Likewise, no differences were found in ICA between drivers with preclinical AD and controls in scenario 1 (0.34 ± 0.08 vs 0.33 ± 0.17; p = 0.74) or scenario 2 (0.30 ± 0.07 vs 0.29 ± 0.17; p = 0.93). Conclusions: Older drivers with preclinical AD may safely operate AV technology, without increased response times or cognitive workload. Future on-road studies with AV technology should confirm these preliminary results in drivers with preclinical AD.
DOI: 10.25919/c8br-t832
title: Parkes observations for project P1032 semester 2023APRS_06

description: This project aims to continue to perform rapid measurements of relativistic parameters of southern binary pulsar systems using data from the Parkes Ultra Wideband Low (UWL) receiver and the MeerKAT telescope thereby enabling measurement of their component masses and in some cases, test theories of gravity. We will use the UWL data to obtain significant orbital coverage and timing baseline on these pulsars and obtain important constraints on orbital and temporal DM variations that will help in identifying the nature of the companion star. We will then use MeerKAT data at crucial orbital phases to improve our chances of measuring the relativistic parameters. Increase in the number of measured NS masses has profound implications for NS internal structure and for stellar and binary evolution physics.
DOI: 10.57841/casdc.0001787
title: Inconel 718合金激光熔覆Stellite3/Ti3SiC2复合涂层摩擦学性能研究
DOI: 10.21335/nmdc-1778560190
title: NORWECOM.E2E Barents Sea Calanus glacialis individul based model

description: An individual-based model (IBM) based on existing knowledge of growth and life history of Calanus glacialis is implemented and coupled to the an ecosystem model system encompassing physics, a nutrients–phytoplankton–zooplankton–detritus (NPZD) model and an IBM of the Atlantic congener C.finmarchicus. The model is used to study the development and spatial distribution of C.glacialis and the dynamics between zooplankton and their environment.
DOI: 10.25919/csaq-am73
title: Parkes observations for project P1041 semester 2023APRS_04

description: We propose to continue our long-term timing campaign of millisecond pulsars (MSPs) discovered in the Globular Cluster Omega Centauri. So far, we have discovered seven MSPs and obtained coherent timing solutions for five of them. Monthly observations with the Parkes Ultra-Wideband Low (UWL) receiver system are requested to time known pulsars and search for new pulsars. With a timing baseline of ~3.5 yr we are able to measure the derivative of the spin frequency for the first five pulsars. Upper limits on the pulsar line-of-sight acceleration are estimated and compared with predictions based on analytical models of the cluster. The linearly polarised emission from PSR J1326-4728 yields a rotation measure of -18(8) rad/m^2. Long-term timing observations of these MSPs will provide us a new way to (1) study the dynamics of the core and constrain the existence of any intermediate-mass black holes; (2) reveal the origin of Gamma-ray emission from the core and put stringent constraints on dark matter parameters; (3) study Galactic ionised medium and magnetic fields on parsec scales.
DOI: 10.6084/m9.figshare.22597099.v1
title: A Lymph Node Targeted Adjuvant and Engineered Subunit Vaccine Promotes Potent Immunity to Epstein-Barr Virus in HLA-expressing Mice

description: This file includes all raw data for figures 1-8 and also for supplemental figures
DOI: 10.6084/m9.figshare.22597099
title: A Lymph Node Targeted Adjuvant and Engineered Subunit Vaccine Promotes Potent Immunity to Epstein-Barr Virus in HLA-expressing Mice

description: This file includes all raw data for figures 1-8 and also for supplemental figures
DOI: 10.6084/m9.figshare.22130432
title: Multivariate genome-wide analysis of aging-related traits identifies novel loci and new drug targets for healthy aging

description: Data underlying results presented and discussed in the main manuscript
DOI: 10.6084/m9.figshare.22130432.v1
title: Multivariate genome-wide analysis of aging-related traits identifies novel loci and new drug targets for healthy aging

description: Data underlying results presented and discussed in the main manuscript
DOI: 10.57841/casdc.0001788
title: 多壁碳纳米管/聚醚醚酮(MWCNT/PEEK)复合材料的制备及其性能研究
DOI: 10.5281/zenodo.8227469
title: Machine Learning Integrated High Quantum Yield Blue Light Carbon Dots for Real-time and On-site Detection of Cr(VI) in Groundwater and Drinking Water

description: RGB和Kmeans提取后含有Cr(VI)水样的图像数据
DOI: 10.5281/zenodo.8227468
title: Machine Learning Integrated High Quantum Yield Blue Light Carbon Dots for Real-time and On-site Detection of Cr(VI) in Groundwater and Drinking Water

description: RGB和Kmeans提取后含有Cr(VI)水样的图像数据
DOI: 10.6084/m9.figshare.21196174
title: Computational analysis of immunogenic epitopes in the p30 and p54 proteins of African swine fever virus

description: African swine fever (ASF) is a highly infectious viral disease of pigs, which causes acute fatal haemorrhage and is a severe concern to the global pork industry. The present study followed computational approaches to identify B- and T-cell epitopes for the p30 and p54 proteins of the African swine fever virus (ASFV) by interacting with the swine leukocyte antigen (SLA) alleles. The amino acid sequences of p30 and p54 were analysed for variability and relative solvent accessibility, and their three-dimensional structures were predicted and validated. Molecular dynamics simulation was performed to study the structural and dynamic properties of the protein. Six and five linear B-cell epitopes have been predicted for p30 and p54, respectively. Four and three discontinuous B-cell epitopes have been predicted for p30 and p54, respectively. Further, the top five T-cell epitopes for SLA-1, 2, and 3 have been listed for both proteins. These results can help us to understand the immunodominant regions in the p30 and p54 proteins of ASFV and potentially assist in designing peptide-based diagnostics and vaccines. Also, the identified T-cell epitopes may be considered for peptide-based vaccine design against ASFV. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.21196174.v1
title: Computational analysis of immunogenic epitopes in the p30 and p54 proteins of African swine fever virus

description: African swine fever (ASF) is a highly infectious viral disease of pigs, which causes acute fatal haemorrhage and is a severe concern to the global pork industry. The present study followed computational approaches to identify B- and T-cell epitopes for the p30 and p54 proteins of the African swine fever virus (ASFV) by interacting with the swine leukocyte antigen (SLA) alleles. The amino acid sequences of p30 and p54 were analysed for variability and relative solvent accessibility, and their three-dimensional structures were predicted and validated. Molecular dynamics simulation was performed to study the structural and dynamic properties of the protein. Six and five linear B-cell epitopes have been predicted for p30 and p54, respectively. Four and three discontinuous B-cell epitopes have been predicted for p30 and p54, respectively. Further, the top five T-cell epitopes for SLA-1, 2, and 3 have been listed for both proteins. These results can help us to understand the immunodominant regions in the p30 and p54 proteins of ASFV and potentially assist in designing peptide-based diagnostics and vaccines. Also, the identified T-cell epitopes may be considered for peptide-based vaccine design against ASFV. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.20681800
title: In silico identification of potential drug-like molecules against G glycoprotein of Nipah virus by molecular docking, DFT studies, and molecular dynamic simulation

description: Nipah virus (NiV) is a novel zoonotic pathogen that belongs to the <i>Paramyxovirus</i> family. The pathogen has infected a number of people in countries like Bangladesh, India, Singapore, and Malaysia with high mortality rates. Although the NiV has been classified as a biosafety level four pathogen (BSL-4), there is no drug approved for treatment against it. In this study, the G glycoprotein of the NiV was chosen as an antiviral target. Based on ADMET criteria, BBB- and BBB + group compounds were screened out of the Gold & platinum Asinex library containing 211620 compounds. After careful evaluation, the selected ligands were then virtually screened to identify the potential inhibitors against the G glycoprotein of the NiV through molecular docking, density functional theory (DFT), and molecular dynamic (MD) simulation studies. In our study we identified 5-(1,3-Benzodioxol-5-yl)-2-[(3-fluorobenzyl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione (from BBB- group) and 7,7-Dimethyl-1-(4-methylphenyl)-3-(4-morpholinylcarbonyl)-7,8-dihydro-2,5(1H,6H)-quinolinedione) (from BBB + group) as potential compounds for the prevention and treatment of NiV related diseases. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.21092035
title: Phytochemicals of <i>Cocculus hirsutus</i> deciphered SARS-CoV-2 inhibition by targeting main proteases in molecular docking, simulation, and pharmacological analyses

description: The COVID-19 pandemic is spreading rapidly due to the outbreak of novel coronavirus SARS-CoV-2 across the globe. Anti-COVID-19 drugs are urgently required in this situation. In this regard, the discovery of promising new anti-COVID-19 moieties is expected from traditional medicine. The study is aimed to discover phytochemicals of <i>Cocculus hirsutus</i> having anti-COVID-19 activity via inhibiting main proteases of SARS-CoV-2. Main proteases (M<sup>pro</sup>) of SARS-CoV-2 serve as a protuberant target for anti-COVID-19 drug discovery because it is a key enzyme of coronaviruses and has a pivotal role in mediating viral replication and transcription that makes it an attractive drug target. Recent studies indicated the utility of <i>C. hirsutus</i> in the treatment of viral disorders like Dengue. Phytochemicals from <i>C. hirsutus</i> were docked against SARS-CoV-2 main proteases (6LU7, 5R7Y, 5R7Z, 5R80, 5R81, 5R82) using the PyRx virtual screen tool and discovery studio visualizer. Further, molecular dynamics simulations were performed (for 100 ns) to see conformational stability for all complexes. Pharmacokinetic properties and drug-likeness prediction of selected <i>C. hirsutus</i> phytoconstituents were also performed. Betulin, coclaurine, and quinic acid of <i>C. hirsutus</i> were found promising with significant binding affinity to SARS-CoV-2 M<sup>pro</sup> in comparison to control. They have shown stable interactions with the amino acid residues present on the active site of most of the SARS-CoV-2 M<sup>pro</sup> and were found as promising anti-COVID-19 candidates. These compounds could be potential leads for the development of target-specific anti-COVID-19 therapeutics while ethnomedicinal uses of this herb could further needed for its detailed antiviral therapeutic exploration. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.21092035.v1
title: Phytochemicals of <i>Cocculus hirsutus</i> deciphered SARS-CoV-2 inhibition by targeting main proteases in molecular docking, simulation, and pharmacological analyses

description: The COVID-19 pandemic is spreading rapidly due to the outbreak of novel coronavirus SARS-CoV-2 across the globe. Anti-COVID-19 drugs are urgently required in this situation. In this regard, the discovery of promising new anti-COVID-19 moieties is expected from traditional medicine. The study is aimed to discover phytochemicals of <i>Cocculus hirsutus</i> having anti-COVID-19 activity via inhibiting main proteases of SARS-CoV-2. Main proteases (M<sup>pro</sup>) of SARS-CoV-2 serve as a protuberant target for anti-COVID-19 drug discovery because it is a key enzyme of coronaviruses and has a pivotal role in mediating viral replication and transcription that makes it an attractive drug target. Recent studies indicated the utility of <i>C. hirsutus</i> in the treatment of viral disorders like Dengue. Phytochemicals from <i>C. hirsutus</i> were docked against SARS-CoV-2 main proteases (6LU7, 5R7Y, 5R7Z, 5R80, 5R81, 5R82) using the PyRx virtual screen tool and discovery studio visualizer. Further, molecular dynamics simulations were performed (for 100 ns) to see conformational stability for all complexes. Pharmacokinetic properties and drug-likeness prediction of selected <i>C. hirsutus</i> phytoconstituents were also performed. Betulin, coclaurine, and quinic acid of <i>C. hirsutus</i> were found promising with significant binding affinity to SARS-CoV-2 M<sup>pro</sup> in comparison to control. They have shown stable interactions with the amino acid residues present on the active site of most of the SARS-CoV-2 M<sup>pro</sup> and were found as promising anti-COVID-19 candidates. These compounds could be potential leads for the development of target-specific anti-COVID-19 therapeutics while ethnomedicinal uses of this herb could further needed for its detailed antiviral therapeutic exploration. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.20681800.v1
title: In silico identification of potential drug-like molecules against G glycoprotein of Nipah virus by molecular docking, DFT studies, and molecular dynamic simulation

description: Nipah virus (NiV) is a novel zoonotic pathogen that belongs to the <i>Paramyxovirus</i> family. The pathogen has infected a number of people in countries like Bangladesh, India, Singapore, and Malaysia with high mortality rates. Although the NiV has been classified as a biosafety level four pathogen (BSL-4), there is no drug approved for treatment against it. In this study, the G glycoprotein of the NiV was chosen as an antiviral target. Based on ADMET criteria, BBB- and BBB + group compounds were screened out of the Gold & platinum Asinex library containing 211620 compounds. After careful evaluation, the selected ligands were then virtually screened to identify the potential inhibitors against the G glycoprotein of the NiV through molecular docking, density functional theory (DFT), and molecular dynamic (MD) simulation studies. In our study we identified 5-(1,3-Benzodioxol-5-yl)-2-[(3-fluorobenzyl)sulfanyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(1H,6H)-dione (from BBB- group) and 7,7-Dimethyl-1-(4-methylphenyl)-3-(4-morpholinylcarbonyl)-7,8-dihydro-2,5(1H,6H)-quinolinedione) (from BBB + group) as potential compounds for the prevention and treatment of NiV related diseases. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.20729992
title: Biocomputational characterisation of MBO_200107 protein of <i>Mycobacterium tuberculosis</i> variant <i>caprae</i>: a molecular docking and simulation study

description: The principal objective of this study was to delineate the potentiality of the MBO_200107 protein from the <i>Mycobacterium tuberculosis</i> variant <i>caprae</i> in cancer research. It is a cytoplasmic protein, comprised of a 354-long amino acid chain, alkaline, had a molecular weight of 39089.37 Da, an isoelectric point of 9.62 and a grand average of hydropathicity of −0.345. One of the functional domains was predicted as Gammaglutamylcyclotransferase (GGCT). Among tertiary structures, the Modeller and Phyre2 model satisfied all the quality parameters, though they are truncated; contrarily, the I-TASSER model is full length and contains the sequence for the GGCT domain, though it did not meet all the quality parameters. It also has significant sequence similarities (47.5% by EMBOSS Water and 72.4% by EMBOSS Matcher) with a human GGCT, and the conserved sequences are confined to the GGCT domain of the MBO_200107. According to molecular docking analyses, the protein has a binding affinity of −4.8 kcal/mol by Autodock Vina and −56.465 kcal/mol by HPEPDOCK to the human glutathione (GSH), an essential metabolite for GGCT metabolism. The Molecular dynamic simulation of the docked complex showed the binding efficiency of the GSH to MBO_200107 with a minimal structural alteration. The <i>in silico</i> findings mentioned above revealed that the protein could be used as a supplementary tool in cancer research, such as designing vaccines or drugs where the role of GGCT has been implicated. Further, we recommend fully characterising the protein and conducting essential <i>in vitro</i> and <i>in vivo</i> experiments to determine its detailed usefulness. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.20729992.v1
title: Biocomputational characterisation of MBO_200107 protein of <i>Mycobacterium tuberculosis</i> variant <i>caprae</i>: a molecular docking and simulation study

description: The principal objective of this study was to delineate the potentiality of the MBO_200107 protein from the <i>Mycobacterium tuberculosis</i> variant <i>caprae</i> in cancer research. It is a cytoplasmic protein, comprised of a 354-long amino acid chain, alkaline, had a molecular weight of 39089.37 Da, an isoelectric point of 9.62 and a grand average of hydropathicity of −0.345. One of the functional domains was predicted as Gammaglutamylcyclotransferase (GGCT). Among tertiary structures, the Modeller and Phyre2 model satisfied all the quality parameters, though they are truncated; contrarily, the I-TASSER model is full length and contains the sequence for the GGCT domain, though it did not meet all the quality parameters. It also has significant sequence similarities (47.5% by EMBOSS Water and 72.4% by EMBOSS Matcher) with a human GGCT, and the conserved sequences are confined to the GGCT domain of the MBO_200107. According to molecular docking analyses, the protein has a binding affinity of −4.8 kcal/mol by Autodock Vina and −56.465 kcal/mol by HPEPDOCK to the human glutathione (GSH), an essential metabolite for GGCT metabolism. The Molecular dynamic simulation of the docked complex showed the binding efficiency of the GSH to MBO_200107 with a minimal structural alteration. The <i>in silico</i> findings mentioned above revealed that the protein could be used as a supplementary tool in cancer research, such as designing vaccines or drugs where the role of GGCT has been implicated. Further, we recommend fully characterising the protein and conducting essential <i>in vitro</i> and <i>in vivo</i> experiments to determine its detailed usefulness. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.23909778
title: Estimating suspended sediment concentration based on the specific heat capacity of sediment

description: Validation information of the manuscript, including the MATLAB code and the dataset.
DOI: 10.15468/dl.njjnub
title: Occurrence Download

description: A dataset containing 14 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 }
 ]
 },
 "SpeciesKey is Calodera protensa Mannerheim, 1830",
 "Year is greater than or equal to 2004",
 "Year is less than or equal to 2023"
 ]
}

 The dataset includes 14 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0082866-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.y4dqt9
title: Occurrence Download

description: A dataset containing 10000046 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Chile",
 "PublishingCountry is Chile"
 ]
}

 The dataset includes 10000046 records from 132 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0082848-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.yjfx43
title: Occurrence Download

description: A dataset containing 13291 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Casuarina equisetifolia L."
 ]
}

 The dataset includes 13291 records from 576 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0082865-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.9wn2ay
title: Occurrence Download

description: A dataset containing 25 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 }
 ]
 },
 "SpeciesKey is Calodera rubens Erichson, 1837",
 "Year is greater than or equal to 2004",
 "Year is less than or equal to 2023"
 ]
}

 The dataset includes 25 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0082868-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.13368199
title: Fluorescence wound edge assay

description: RGB images (16-bit) of fixed and stained 3T3 cells in a wound edge assay. 6 conditions are available: unstimulated, serum, dmso, LPA, nocodazole, and cytochalasinD.
DOI: 10.5281/zenodo.13368200
title: Fluorescence wound edge assay

description: RGB images (16-bit) of fixed and stained 3T3 cells in a wound edge assay. 6 conditions are available: unstimulated, serum, dmso, LPA, nocodazole, and cytochalasinD.
DOI: 10.15468/dl.kt8rqt
title: Occurrence Download

description: A dataset containing 7585 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Catalpa speciosa (Warder ex Barney) Warder ex Engelm."
 ]
}

 The dataset includes 7585 records from 226 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0082869-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.