cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.22362116.v1
title: Computational analysis and molecular dynamics simulation of high-risk single nucleotide polymorphisms of the <i>ADAM10</i> gene

description: Polymorphisms of the disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) are linked to pathophysiological changes in lung inflammation, cancer, Alzheimer’s disease (AD), encephalopathy, liver fibrosis, and cardiovascular diseases. In this study, we predicted the pathogenicity of <i>ADAM10</i> non-synonymous single nucleotide polymorphisms (nsSNPs) in a wide array of mutation analyzing bioinformatics tools. We retrieved 423 nsSNPs from dbSNP-NCBI for the analysis, and 13 were predicted deleterious by each of the ten tools: SIFT, PROVEAN, CONDEL, PANTHER-PSEP, SNAP2, SuSPect, PolyPhen-2, Meta-SNP, Mutation Assessor and Predict-SNP. Further assessment of amino acid sequences, homology models, conservation profiles, and inter-atomic interactions identified C222G, G361E and C639Y as the most pathogenic mutations. We validated this prediction through structural stability analysis using DUET, I-Mutant Suite, SNPeffect and Dynamut. Molecular dynamics simulations and principal component analysis also indicated considerable instability of the C222G, G361E and C639Y variants. Therefore, these <i>ADAM10</i> nsSNPs could be candidates for diagnostic genetic screening and therapeutic molecular targeting. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.22566746
title: Repurposing immune boosting and anti-viral efficacy of <i>Parkia</i> bioactive entities as multi-target directed therapeutic approach for SARS-CoV-2: exploration of lead drugs by drug likeness, molecular docking and molecular dynamics simulation methods

description: The COVID-19 pandemic has caused adverse health (severe respiratory, enteric and systemic infections) and environmental impacts that have threatened public health and the economy worldwide. Drug repurposing and small molecule multi-target directed herbal medicine therapeutic approaches are the most appropriate exploration strategies for SARS-CoV-2 drug discovery. This study identified potential multi-target-directed <i>Parkia</i> bioactive entities against SARS-CoV-2 receptors (S-protein, ACE2, TMPRSS2, RBD/ACE2, RdRp, MPro, and PLPro) using ADMET, drug-likeness, molecular docking (AutoDock, FireDock and HDOCK), molecular dynamics simulation and MM-PBSA tools. One thousand <i>Parkia</i> bioactive entities were screened out by virtual screening and forty-five bioactive phytomolecules were selected based on favorable binding affinity and acceptable pharmacokinetic and pharmacodynamics properties. The binding affinity values of <i>Parkia</i> phyto-ligands (AutoDock: −6.00–−10.40 kcal/mol; FireDock: −31.00–−62.02 kcal/mol; and HDOCK: −150.0–−294.93 kcal/mol) were observed to be higher than the reference antiviral drugs (AutoDock: −5.90–−9.10 kcal/mol; FireDock: −35.64–−59.35 kcal/mol; and HDOCK: −132.82–−211.87 kcal/mol), suggesting a potent modulatory action of <i>Parkia</i> bioactive entities against the SARS-CoV-2. Didymin, rutin, epigallocatechin gallate, epicatechin-3-0-gallate, hyperin, ursolic acid, lupeol, stigmasta-5,24(28)-diene-3-ol, ellagic acid, apigenin, stigmasterol, and campesterol strongly bound with the multiple targets of the SARS-CoV-2 receptors, inhibiting viral entry, attachment, binding, replication, transcription, maturation, packaging and spread. Furthermore, ACE2, TMPRSS2, and MPro receptors possess significant molecular dynamic properties, including stability, compactness, flexibility and total binding energy. Residues GLU-589, and LEU-95 of ACE2, GLN-350, HIS-186, and ASP-257 of TMPRSS2, and GLU-14, MET-49, and GLN-189 of MPro receptors contributed to the formation of hydrogen bonds and binding interactions, playing vital roles in inhibiting the activity of the receptors. Promising results were achieved by developing multi-targeted antiviral <i>Parkia</i> bioactive entities as lead and prospective candidates under a small molecule strategy against SARS-CoV-2 pathogenesis. The antiviral activity of <i>Parkia</i> bioactive entities needs to be further validated by pre-clinical and clinical trials.
DOI: 10.3886/e147523v1-144321
title: Code for: Consumption Response to Credit Expansions: Evidence from Experimental Assignment of 45,307 Credit Lines

description: STATA .do files used to produce the tables, figures, and statistics.
DOI: 10.6073/pasta/62bd85397e23bc9c50c7f652c0cc58ea
title: Stream discharge in gaged watersheds at the HJ Andrews Experimental Forest, 1949 to present

description: Streamflow from selected small watersheds has been continuously monitored at the Andrews Forest beginning in November 1952 and the Lookout Creek Gauging Station has been maintained by the USGS since October, 1949. The objectives of this study include: (1) to evaluate long-term changes in hydrology associated with various management treatments, notably clearcut logging, selective logging, and burning; (2) to provide baseline data for affiliated precipitation and stream water chemistry and sediment transport studies; and (3) to characterize the hydrologic regime of old-growth forests at different elevations.
 Streamflow records from small watersheds began in November 1952 at WS 1,2, and 3 (60 to 100 ha), 1963 at WS 6, 7, and 8 (15 to 22 ha) 1968 at WS 9 and 10 (9 and 10 ha), 1980 at Mack Creek (580 ha), and 1949 at Lookout Creek (6242 ha). Data have been collected continuously since the start of data collection for all watersheds, with the exception of WS7, which was shut down as a cost-saving maneuver from WY1988 through WY1994. See https://andrewsforest.oregonstate.edu/research/infrastructure/watersheds for other information.
 Raw instantaneous streamflow data in cubic feet per second (cfs) and mean flow at fine temporal intervals are available. Rating curves for fixed trapezoidal flumes are maintained for all small watersheds except Lookout Creek and allow calculation of mean and total flow. The USGS-maintained Lookout Creek relies on annual rating table development to reflect changes in the open channel for instantaneous flow calculation. Entity 1 includes a reconstructed history of USGS Lookout Creek hourly data beginning in 1950 and more recently 30 and 15 minute interval data. Calculated mean cfs and total flow for each watershed are available at daily (Entity 2), monthly (Entity 3), annual (Entity 4), and stream sampling (Entity 6) time intervals. An interactive program, FLOW (Entity 5), allows the user to download instantaneous, mean and total flow at requested time periods (e.g., 5 minute, 15 minute, hourly) for all watersheds except for Lookout Creek.
DOI: 10.57841/casdc.0003314
title: 慢性病检验检查数据集
DOI: 10.5281/zenodo.10439233
title: Global eddy-induced variation in the intensities of tropical cyclones
DOI: 10.5281/zenodo.10439232
title: Global eddy-induced variation in the intensities of tropical cyclones
DOI: 10.5281/zenodo.10440510
title: Pulmonary function in Thai patients with systemic sclerosis data
DOI: 10.5281/zenodo.10440509
title: Pulmonary function in Thai patients with systemic sclerosis data
DOI: 10.6084/m9.figshare.24915984
title: Development of a Video Game to Encourage the Appropriate Use of Social Media in Adolescents.

description: Esta investigación tuvo como objetivo general fomentar el uso adecuado de las redes sociales en los adolescentes de una escuela de Casa Grande en el año 2023. Se utilizó el tipo de investigación aplicada y diseño experimental puro, se muestrearon 60 alumnos adolescentes de una escuela, donde 30 fueron asignados para el Grupo Control (GC) y 30 para el Grupo Experimental (GE), este último utilizó un videojuego desarrollado en Unity y C#; a través de la observación directa y fichas de observación se recolectó la información; posteriormente los datos fueron analizados y procesados utilizando el software Jamovi 2.4.11. Los resultados indicaron mejoras significativas, con un aumento del 30% en el nivel de interacción social, alcanzando una escala MEDIA-ALTA; un aumento del 14% en el conocimiento sobre seguridad online, alcanzando también una escala MEDIA-ALTA; una disminución del 16% en el nivel de ciberacoso, alcanzando una escala BAJA; y por último, una disminución del 14% en el nivel de estrés, alcanzando también una escala BAJA. Se concluyó que, por medio de un videojuego, se desarrolló significativamente el uso adecuado de las redes sociales entre los adolescentes de una escuela de Casa Grande
DOI: 10.6084/m9.figshare.24915984.v1
title: Development of a Video Game to Encourage the Appropriate Use of Social Media in Adolescents.

description: Esta investigación tuvo como objetivo general fomentar el uso adecuado de las redes sociales en los adolescentes de una escuela de Casa Grande en el año 2023. Se utilizó el tipo de investigación aplicada y diseño experimental puro, se muestrearon 60 alumnos adolescentes de una escuela, donde 30 fueron asignados para el Grupo Control (GC) y 30 para el Grupo Experimental (GE), este último utilizó un videojuego desarrollado en Unity y C#; a través de la observación directa y fichas de observación se recolectó la información; posteriormente los datos fueron analizados y procesados utilizando el software Jamovi 2.4.11. Los resultados indicaron mejoras significativas, con un aumento del 30% en el nivel de interacción social, alcanzando una escala MEDIA-ALTA; un aumento del 14% en el conocimiento sobre seguridad online, alcanzando también una escala MEDIA-ALTA; una disminución del 16% en el nivel de ciberacoso, alcanzando una escala BAJA; y por último, una disminución del 14% en el nivel de estrés, alcanzando también una escala BAJA. Se concluyó que, por medio de un videojuego, se desarrolló significativamente el uso adecuado de las redes sociales entre los adolescentes de una escuela de Casa Grande
DOI: 10.34740/kaggle/dsv/7298333
title: Detailed Financials Data Of 4456 NSE & BSE Company
DOI: 10.5281/zenodo.10440574
title: Targeting host-virus interactions: In silico analysis of the binding of human milk oligosaccharides to viral proteins involved in respiratory infections

description: Respiratory viral infections, a major public health concern, necessitate the continuous development of novel antiviral strategies, particularly in the face of emerging and re-emerging pathogens. In this study, we explored the potential of human milk oligosaccharides (HMOs) as broad-spectrum antiviral agents against key respiratory viruses. By examining the structural mimicry of host cell receptors and their known biological functions, including antiviral activities, we assessed the ability of HMOs to bind and potentially inhibit viral proteins crucial for host cell entry. Our in silico analysis focused on viral proteins integral to host-virus interactions, namely, the hemagglutinin protein of influenza, fusion proteins of respiratory syncytial and human metapneumovirus, and the spike protein of SARS-CoV-2. Using molecular docking and simulation studies, we demonstrated that HMOs exhibit varying binding affinities to these viral proteins, suggesting their potential as viral entry inhibitors. This study identified several HMOs with promising binding profiles, highlighting their potential in antiviral drug development. This research provides a foundation for utilizing HMOs as a natural source for designing new therapeutics, offering a novel approach in the fight against respiratory viral infections.
DOI: 10.5281/zenodo.10440575
title: Targeting host-virus interactions: In silico analysis of the binding of human milk oligosaccharides to viral proteins involved in respiratory infections

description: Respiratory viral infections, a major public health concern, necessitate the continuous development of novel antiviral strategies, particularly in the face of emerging and re-emerging pathogens. In this study, we explored the potential of human milk oligosaccharides (HMOs) as broad-spectrum antiviral agents against key respiratory viruses. By examining the structural mimicry of host cell receptors and their known biological functions, including antiviral activities, we assessed the ability of HMOs to bind and potentially inhibit viral proteins crucial for host cell entry. Our in silico analysis focused on viral proteins integral to host-virus interactions, namely, the hemagglutinin protein of influenza, fusion proteins of respiratory syncytial and human metapneumovirus, and the spike protein of SARS-CoV-2. Using molecular docking and simulation studies, we demonstrated that HMOs exhibit varying binding affinities to these viral proteins, suggesting their potential as viral entry inhibitors. This study identified several HMOs with promising binding profiles, highlighting their potential in antiviral drug development. This research provides a foundation for utilizing HMOs as a natural source for designing new therapeutics, offering a novel approach in the fight against respiratory viral infections.
DOI: 10.6084/m9.figshare.24916023
title: kmerPMTF-data

description: This is kmerPMTF dataset.
DOI: 10.5517/ccdc.csd.cc2hynfk
title: CCDC 2322409: Experimental Crystal Structure Determination

description: Related Article: hang chen|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5281/zenodo.10440632
title: ОСНОВНАЯ ПРАВОВАЯ БАЗА ГОСУДАРСТВЕННОЙ ПОЛИТИКИ В ОТНОШЕНИИ ЖЕНЩИН С ЦЕЛЬЮ ДАЛНЕЙШЕЙ АКТИВИЗАЦИИ ИХ УЧАСТИЯ В ОБЩЕСТВЕ И ГОСУДАРСТВЕННОМ УПРАВЛЕНИИ
DOI: 10.5281/zenodo.10440633
title: ОСНОВНАЯ ПРАВОВАЯ БАЗА ГОСУДАРСТВЕННОЙ ПОЛИТИКИ В ОТНОШЕНИИ ЖЕНЩИН С ЦЕЛЬЮ ДАЛНЕЙШЕЙ АКТИВИЗАЦИИ ИХ УЧАСТИЯ В ОБЩЕСТВЕ И ГОСУДАРСТВЕННОМ УПРАВЛЕНИИ
DOI: 10.5281/zenodo.10440636
title: МЕТОДЫ ОБУЧЕНИЯ АНГЛИЙСКОМУ ЯЗЫКУ И УВЕЛИЧЕНИЯ СЛОВАРНОГО ЗАПАСА
DOI: 10.5281/zenodo.10440637
title: МЕТОДЫ ОБУЧЕНИЯ АНГЛИЙСКОМУ ЯЗЫКУ И УВЕЛИЧЕНИЯ СЛОВАРНОГО ЗАПАСА
DOI: 10.6084/m9.figshare.24903246
title: Realization of an Extremely Anisotropic Heisenberg Magnet in Rydberg Atom Arrays

description: Strong mutual interaction which correlates elementary excitations of quantum matter plays a key role in a range of emergent phenomena, from binding and condensation to quantum thermalization and many-body localization. Here, we employ a Rydberg quantum simulator to experimentally demonstrate strongly correlated spin transport in anisotropic Heisenberg magnets, where the magnon-magnon interaction can be tuned two orders of magnitude larger than the magnon hopping strength. In our approach, the motion of magnons is controlled by an induced spin-exchange interaction through far off-resonant driving, which enables coherent transport of a single Rydberg excitation across a chain of ground-state atoms. As the most prominent signature of a giant anisotropy, we show that nearby Rydberg excitations form distinct types of magnon bound states, where a tightly bound pair exhibits frozen dynamics in a fragmented Hilbert space, while a loosely bound pair propagates and establishes correlations beyond a single lattice site. Our scheme complements studies using resonant dipole-dipole interactions between Rydberg states, and opens the door to exploring quantum thermodynamics with ultrastrong interactions and kinetic constraints.
DOI: 10.17632/smfxnxczwd.1
title: Data on Effect of Mulches on Growth and Fruit Yield of Watermelon (Citrullus lanatus Thunb.) Varieties in West Dembia District, Central Gondar Zone, Ethiopia

description: This Dataset was collected in an experiment conducted in the field in west Dembia district under irrigation from January to April 2021 to investigate the effect of mulches on growth and fruit yield of watermelon varieties. Then all phenological, growth, yield and yield component parameters were collected and subjected to analysis of variance and the analysis was carried out using the SAS version 9.4 software computer program's General Linear Model (GLM) procedure. The economic feasibility analysis was also performed by following CIMMYT procedure and correlation analysis was performed using the Pearson correlation procedure found in SAS.
DOI: 10.6073/pasta/1ceb5bbb97009691374e32855eadef52
title: NEON Biorepository Aquatic Microalgae Collection (Freeze-dried) (repackaging of occurrences published by the NEON Biorepository Data Portal)

description: This collection contains freeze-dried subsamples of aquatic microalgae (NEON sample class: ptx_taxonomy_in.freezeDried). Periphyton and phytoplankton samples are collected three times per year at wadeable stream, river, and lake sites during aquatic biology bout windows, roughly in spring, summer, and fall. Benthic samples are collected using the most appropriate sampler for the habitat and substratum type, including rock scrubs, grab samples, and epiphyton. In wadeable streams, periphyton samples are collected in the two most dominant benthic habitat types (e.g. riffles, runs, pools, step pools), and seston samples were collected from the water column near the S2 sensor (seston samples were discontinued in 2018). In lakes, water-column phytoplankton samples are collected near the buoy and littoral sensors using a Kemmerer sampler, and in littoral areas using the best benthic sampling method for the dominant substratum type. In rivers, phytoplankton samples are collected near the buoy and two other deep-water locations using a Kemmerer or Van Dorn sampler, and in littoral areas using the best benthic sampling method for the dominant substratum type. All field-collected samples are split into subsamples in the domain support facility, preserved, and shipped to a contracting taxonomy laboratory where samples are further subsampled for analysis and archiving. Freeze dried subsamples contained cleaned, freeze dried diatoms. Samples are archived in 20 mL glass scintillation vials and stored at room temperature. See related links below for protocols and NEON related data products.
DOI: 10.6073/pasta/1c5f05083c414863fb202d1ead29dfe4
title: NEON Biorepository Aquatic Microalgae Collection (Microscope Slides) (repackaging of occurrences published by the NEON Biorepository Data Portal)

description: This collection contains slide-mounted subsamples of aquatic microalgae (NEON sample class: ptx_taxonomy_in.slideID). Periphyton and phytoplankton samples are collected three times per year at wadeable stream, river, and lake sites during aquatic biology bout windows, roughly in spring, summer, and fall. Benthic samples are collected using the most appropriate sampler for the habitat and substratum type, including rock scrubs, grab samples, and epiphyton. In wadeable streams, periphyton samples are collected in the two most dominant benthic habitat types (e.g. riffles, runs, pools, step pools), and seston samples were collected from the water column near the S2 sensor (seston samples were discontinued in 2018). In lakes, water-column phytoplankton samples are collected near the buoy and littoral sensors using a Kemmerer sampler, and in littoral areas using the best benthic sampling method for the dominant substratum type. In rivers, phytoplankton samples are collected near the buoy and two other deep-water locations using a Kemmerer or Van Dorn sampler, and in littoral areas using the best benthic sampling method for the dominant substratum type. All field-collected samples are split into subsamples in the domain support facility, preserved, and shipped to a contracting taxonomy laboratory where samples are further subsampled for analysis and archiving. Algae specimens in this collection contain cleaned diatom subsamples that have been mounted on glass microscope slides and are archived at room temperature. See related links below for protocols and NEON related data products.
DOI: 10.6084/m9.figshare.20407857.v2
title: CScat

description: The first global long-term satellite radar backscatter data set with a C-band signal dynamic
DOI: 10.6073/pasta/d93a2ab7029ff7f712ffd4602593841e
title: NEON Biorepository Benthic Microbe Collection (Sterivex Filters) (repackaging of occurrences published by the NEON Biorepository Data Portal)

description: This collection contains benthic biofilm samples collected on 67 mm long, 1.7 cm diameter, 0.22 um Sterivex capsule filters (NEON sample class: amb_fieldParent_in.archiveID). Benthic biofilm samples are collected 3 times per year at the same time and location as periphyton (microalgae) samples and microbe samples sent for sequencing analysis, three times per year in wadeable streams during aquatic biology bout windows, roughly in spring, summer, and fall. Benthic biofilms are not collected in lakes and rivers. Samples are collected from rock and wood scrubs using field-sterile methods, and filtered through a 0.22 um Sterivex SVGP capsule filters. In wadeable streams, periphyton samples are collected in the two most dominant benthic habitat types (e.g. riffles, runs, pools, step pools). Sterivex filters are capped and flash-frozen in the field and then shipped to the Biorepository to be archived at -80 degrees Celsius. See related links below for protocols and NEON related data products.
DOI: 10.6073/pasta/e67426b3001ed0b2f4a3c4fd51fd6869
title: NEON HQ Soil Archive (Megapit) (repackaging of occurrences published by the NEON Biorepository Data Portal)

description: This collection contains soil samples collected from the megapit at each terrestrial site (NEON sample class: mgp_perarchivesample). During the construction of all 47 terrestrial field sites, "Megapit" soils were collected from multiple horizons at a single soil pit that was up to 2m deep. These samples serve as a reference of soil physical and chemical conditions at the time the NEON site was constructed. The Megapit Archive is curated at the NEON program headquarters in Boulder, CO. Megapit soil samples are available upon request (https://www.neonscience.org/samples/soil-archive).
DOI: 10.6084/m9.figshare.22090538.v2
title: HBCC_DLPFC-sgACC_snRNAseq_2023

description: The purpose of uploading the data here is to provide interactive data access to the users.
DOI: 10.5517/ccdc.csd.cc2dgspc
title: CCDC 2218753: Experimental Crystal Structure Determination

description: Related Article: Ting Zhang, Timothy Steenhaut, Xiao Li, François Devred, Michel Devillers, Yaroslav Filinchuk|2023|Sustainable Energy Fuels|7|1119|doi:10.1039/D2SE01558G
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2dgp0l
title: CCDC 2218639: Experimental Crystal Structure Determination

description: Related Article: Owen J. Curnow, Rathiga Senthooran|2023|Polyhedron|233|116318|doi:10.1016/j.poly.2023.116318
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2dgsrf
title: CCDC 2218755: Experimental Crystal Structure Determination

description: Related Article: Ting Zhang, Timothy Steenhaut, Xiao Li, François Devred, Michel Devillers, Yaroslav Filinchuk|2023|Sustainable Energy Fuels|7|1119|doi:10.1039/D2SE01558G
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.