cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.48597/7k7r-7mqq
title: Measurement of Pm25_mass at Niembro

description: Measurement of Pm25_mass at Niembro
DOI: 10.6084/m9.figshare.23565817
title: Identification of potential edible spices as EGFR and EGFR mutant T790M/L858R inhibitors by structure-based virtual screening and molecular dynamics

description: Epidermal growth factor receptor (EGFR) tyrosine kinases are overexpressed in several human cancers and could serve as a promising anti-cancer drug target. With this in view, the main aim of the present study was to identify spices having the potential to inhibit EGFR tyrosine kinase. The structure-based virtual screening of spice database consisting of 1439 compounds with EGFR tyrosine kinase (PDB ID: 3W32) was carried out using Glide. Top scored 18 hits (XP Glide Score ≥ −10.0 kcal/mol) was further docked with three EGFR tyrosine kinases and three EGFR T790M/L858R mutants using AutodockVina, followed by ADME filtration. The best three hits were further refined by Molecular Dynamics (MD) simulation and MM-GBSA-based binding energy calculation. The overall docking results of the selected hits with both EGFR and EGFR T790M/L858R were quite satisfactory and showed strong binding compared to the three coligands. Detailed MD analysis of CL_07, AC_11 and AS_49 also showed the stability of the protein-ligand complexes. Moreover, the hits were drug-like, and MM-GBSA binding free energy of CL_07 and AS_49 was established to be far better. AC_11 was found to be similar to the known inhibitor Gefitinib. Most of the potential hits are available in <i>Allium cepa</i>, CL_07 and AS_49 available in <i>Curcuma longa</i> and <i>Allium sativum</i>, respectively. Therefore, these three spices could be used as a potential therapeutic candidate against cancer caused by overexpression of EGFR after validation of the observations of this study in <i>in-vitro</i> experiments. Further extensive work is needed to improve the scaffolds CL_07, AC_11, AC_17, and AS_49 as potential anti-cancer drugs. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.23565817.v1
title: Identification of potential edible spices as EGFR and EGFR mutant T790M/L858R inhibitors by structure-based virtual screening and molecular dynamics

description: Epidermal growth factor receptor (EGFR) tyrosine kinases are overexpressed in several human cancers and could serve as a promising anti-cancer drug target. With this in view, the main aim of the present study was to identify spices having the potential to inhibit EGFR tyrosine kinase. The structure-based virtual screening of spice database consisting of 1439 compounds with EGFR tyrosine kinase (PDB ID: 3W32) was carried out using Glide. Top scored 18 hits (XP Glide Score ≥ −10.0 kcal/mol) was further docked with three EGFR tyrosine kinases and three EGFR T790M/L858R mutants using AutodockVina, followed by ADME filtration. The best three hits were further refined by Molecular Dynamics (MD) simulation and MM-GBSA-based binding energy calculation. The overall docking results of the selected hits with both EGFR and EGFR T790M/L858R were quite satisfactory and showed strong binding compared to the three coligands. Detailed MD analysis of CL_07, AC_11 and AS_49 also showed the stability of the protein-ligand complexes. Moreover, the hits were drug-like, and MM-GBSA binding free energy of CL_07 and AS_49 was established to be far better. AC_11 was found to be similar to the known inhibitor Gefitinib. Most of the potential hits are available in <i>Allium cepa</i>, CL_07 and AS_49 available in <i>Curcuma longa</i> and <i>Allium sativum</i>, respectively. Therefore, these three spices could be used as a potential therapeutic candidate against cancer caused by overexpression of EGFR after validation of the observations of this study in <i>in-vitro</i> experiments. Further extensive work is needed to improve the scaffolds CL_07, AC_11, AC_17, and AS_49 as potential anti-cancer drugs. Communicated by Ramaswamy H. Sarma
DOI: 10.48597/84zx-4cad
title: Measurement of PM mass at Rucava

description: Measurement of PM mass at Rucava
DOI: 10.48597/9m37-qa97
title: Measurement of Pm10_mass at Penausende

description: Measurement of Pm10_mass at Penausende
DOI: 10.6084/m9.figshare.22770105
title: QSAR modeling approaches to identify a novel ACE2 inhibitor that selectively bind with the C and N terminals of the ectodomain

description: Due to the high rates of drug development failure and the massive expenses associated with drug discovery, repurposing existing drugs has become more popular. As a result, we have used QSAR modelling on a large and varied dataset of 657 compounds in an effort to discover both explicit and subtle structural features requisite for ACE2 inhibitory activity, with the goal of identifying novel hit molecules. The QSAR modelling yielded a statistically robust QSAR model with high predictivity (R<sup>2</sup><sub>tr</sub>=0.84, R<sup>2</sup><sub>ex</sub>=0.79), previously undisclosed features, and novel mechanistic interpretations. The developed QSAR model predicted the ACE2 inhibitory activity (<sub>P</sub>IC<sub>50</sub>) of 1615 ZINC FDA compounds. This led to the detection of a <sub>P</sub>IC<sub>50</sub> of 8.604 M for the hit molecule (ZINC000027990463). The hit molecule’s docking score is −9.67 kcal/mol (RMSD 1.4). The hit molecule revealed 25 interactions with the residue ASP40, which defines the N and C termini of the ectodomain of ACE2. The HIT molecule conducted more than thirty contacts with water molecules and exhibited polar interaction with the ARG522 residue coupled with the second chloride ion, which is 10.4 nm away from the zinc ion. Both molecular docking and QSAR produced comparable findings. Moreover, MD simulation and MMGBSA studies verified docking analysis. The MD simulation showed that the hit molecule-ACE2 receptor complex is stable for 400 ns, suggesting that repurposed hit molecule 3 is a viable ACE2 inhibitor.
DOI: 10.48597/a9z5-mvak
title: Measurement of Pm10_mass at Cabo de Creus

description: Measurement of Pm10_mass at Cabo de Creus
DOI: 10.48597/b4b2-vkbk
title: Measurement of Pm10_mass at O Saviñao

description: Measurement of Pm10_mass at O Saviñao
DOI: 10.48597/bu4t-wrru
title: Measurement of Pm10_mass at Noia

description: Measurement of Pm10_mass at Noia
DOI: 10.48597/d7rw-eumk
title: Measurement of Pm10_mass at Els Torms

description: Measurement of Pm10_mass at Els Torms
DOI: 10.48597/ege9-5v3g
title: Measurement of Inorganics in precipitation at Preila

description: Measurement of Inorganics in precipitation at Preila
DOI: 10.48597/h4a6-hh3b
title: Measurement of Pm25_mass at Víznar

description: Measurement of Pm25_mass at Víznar
DOI: 10.48597/j8by-enr6
title: Measurement of Ozone at Diabla Gora

description: Measurement of Ozone at Diabla Gora
DOI: 10.48597/k3e8-7zwk
title: Measurement of Pm25_mass at Campisabalos

description: Measurement of Pm25_mass at Campisabalos
DOI: 10.48597/kmyb-wetx
title: Measurement of Pm25_mass at Barcarrota

description: Measurement of Pm25_mass at Barcarrota
DOI: 10.48597/r74s-y7ur
title: Measurement of Temperature at Chilbolton Observatory

description: Measurement of Temperature at Chilbolton Observatory
DOI: 10.48597/r98s-t2j5
title: Measurement of Pm25_mass at Mahón

description: Measurement of Pm25_mass at Mahón
DOI: 10.48597/rd9r-pmyg
title: Measurement of Pm10_mass at Niembro

description: Measurement of Pm10_mass at Niembro
DOI: 10.48597/se5g-pkxk
title: Measurement of Ozone at Diabla Gora

description: Measurement of Ozone at Diabla Gora
DOI: 10.48597/sznm-wczu
title: Measurement of Ozone at Noia

description: Measurement of Ozone at Noia
DOI: 10.48597/tjjb-9f7d
title: Measurement of Pm25_mass at O Saviñao

description: Measurement of Pm25_mass at O Saviñao
DOI: 10.25810/gtp-yy33.49
title: North American Newspaper Coverage of Climate Change or Global Warming, 2000-2024 - January 2024

description: The Media and Climate Change Observatory Data monitors 127 sources (across newspapers, radio and TV) in 59 countries in seven different regions around the world. Data is assembled by accessing archives through the Lexis Nexis, Proquest and Factiva databases via the University of Colorado libraries. More information may be found at: http://mecco.colorado.edu.
DOI: 10.48597/u5uw-e377
title: Measurement of Pm25_mass at Els Torms

description: Measurement of Pm25_mass at Els Torms
DOI: 10.48597/vbte-b367
title: Measurement of Pm25_mass at Cabo de Creus

description: Measurement of Pm25_mass at Cabo de Creus
DOI: 10.48597/vvu6-hwna
title: Measurement of Pm10_mass at Mahón

description: Measurement of Pm10_mass at Mahón
DOI: 10.48597/yd4h-kpkk
title: Measurement of Pm25_mass at Zarra

description: Measurement of Pm25_mass at Zarra
DOI: 10.48597/zh98-bm7f
title: Measurement of Pm10_mass at Campisabalos

description: Measurement of Pm10_mass at Campisabalos
DOI: 10.48597/2562-mdmp
title: Measurement of Alpha_endosulfan at Alert

description: Measurement of Alpha_endosulfan at Alert
DOI: 10.48597/386j-r6u8
title: Measurement of Op_DDT at Alert

description: Measurement of Op_DDT at Alert
DOI: 10.48597/3878-92xh
title: Measurement of PCB_52 at Kosetice (NOAK)

description: Measurement of PCB_52 at Kosetice (NOAK)
DOI: 10.48597/3eep-puqa
title: Measurement of BDE_71 at Alert

description: Measurement of BDE_71 at Alert
DOI: 10.48597/3hhp-tpvg
title: Measurement of Pp_DDD at Alert

description: Measurement of Pp_DDD at Alert
DOI: 10.48597/3hms-3dfu
title: Measurement of Pentachloroanisole at Alert

description: Measurement of Pentachloroanisole at Alert
DOI: 10.48597/3qtn-k2fp
title: Measurement of 1-2-dichlorobenzene at Alert

description: Measurement of 1-2-dichlorobenzene at Alert
DOI: 10.48597/3rzz-ywyj
title: Measurement of Cis_NO at Alert

description: Measurement of Cis_NO at Alert
DOI: 10.48597/484g-558p
title: Measurement of Cis_NO at Alert

description: Measurement of Cis_NO at Alert
DOI: 10.48597/4bwp-fvpc
title: Measurement of Heptachlor at Alert

description: Measurement of Heptachlor at Alert
DOI: 10.48597/4ny5-vqee
title: Measurement of Octachlorostyrene at Alert

description: Measurement of Octachlorostyrene at Alert
DOI: 10.48597/4qt3-3tfs
title: Measurement of Tetrachloroveratrole at Alert

description: Measurement of Tetrachloroveratrole at Alert
DOI: 10.48597/5y33-ragz
title: Measurement of Heptachlor at Alert

description: Measurement of Heptachlor at Alert
DOI: 10.15468/dl.uan6y2
title: Occurrence Download

description: A dataset containing 33 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Rhogeessa mira LaVal, 1973"
 ]
}

 The dataset includes 33 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0106580-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7q2czd
title: Occurrence Download

description: A dataset containing 10 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Clermontia multiflora Hillebr."
 ]
}

 The dataset includes 10 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0092672-240229165702484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.f2wvli
title: Occurrence Download

description: A dataset containing 77307 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Vanellus indicus (Boddaert, 1783)"
 ]
}

 The dataset includes 77307 records from 54 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0015799-181003121212138/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.q5sdz2
title: Occurrence Download

description: A dataset containing 2321 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Mexico",
 "TaxonKey is Galinsoga parviflora Cav."
 ]
}

 The dataset includes 2321 records from 82 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0346684-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.n5u5qs
title: Occurrence Download

description: A dataset containing 72 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Acianthera hondurensis (Ames) Pridgeon & M.W.Chase"
 ]
}

 The dataset includes 72 records from 16 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0138000-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.bb4am1
title: Occurrence Download

description: A dataset containing 1046 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "TaxonKey is Opuntia macrorhiza Engelm.",
 "TaxonKey is Opuntia microdasys (Lehm.) Pfeiff."
 ]
 },
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 1046 records from 47 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0015801-180508205500799/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.nt64qb
title: Occurrence Download

description: A dataset containing 118 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)"
 ]
 }
 }
 ]
 },
 "TaxonKey is Oplurus grandidieri (Mocquard, 1900)"
 ]
}

 The dataset includes 118 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0092674-240229165702484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.p3f26q
title: Occurrence Download

description: A dataset containing 54702 species occurrences available in GBIF matching the query:
{
 "and" : [
 "CoordinateUncertaintyInMeters 0.0-9969.0",
 "Geometry POLYGON((-133.30078 16.11327,-46.58203 16.11327,-46.58203 51.50391,-133.30078 51.50391,-133.30078 16.11327))",
 "TaxonKey is Danaus plexippus (Linnaeus, 1758)"
 ]
}

 The dataset includes 54702 records from 40 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0198376-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.hahypi
title: Occurrence Download

description: A dataset containing 101 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is CNAN/Escorpiones Estado de Mexico"
 ]
}

 The dataset includes 101 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0015799-180131172636756/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zb8gew
title: Occurrence Download

description: A dataset containing 58 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Carex genkaiensis Ohwi"
 ]
}

 The dataset includes 58 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0092705-240229165702484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.bha5fn
title: Occurrence Download

description: A dataset containing 15998 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "BasisOfRecord is Human Observation",
 "BasisOfRecord is Material sample",
 "BasisOfRecord is Literature Occurrence",
 "BasisOfRecord is Specimen"
 ]
 },
 "Geometry POLYGON((92.54883 -11.69527,141.41602 -11.69527,141.41602 27.83908,92.54883 27.83908,92.54883 -11.69527))",
 "HasGeospatialIssue is false",
 "TaxonKey is Aedes albopictus (Skuse, 1894)",
 "Year 2000-2021"
 ]
}

 The dataset includes 15998 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0222849-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.2z9wx9
title: Occurrence Download

description: A dataset containing 2 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Casearia calva Craib"
 ]
}

 The dataset includes 2 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0092755-240229165702484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.jw5tkw
title: Occurrence Download

description: A dataset listing the 4426403 species recorded in GBIF matching the query:
{
 "Country" : [
 "is Peru"
 ]
}

 The dataset's 4426403 records were derived from 1429 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0015801-190415153152247/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.kvqxpv
title: Occurrence Download

description: A dataset containing 3 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Iran (Islamic Republic of)",
 "Geometry POLYGON((56.05314 36.69604,51.11582 34.25237,57.11806 31.2403,59.4415 35.68033,56.05314 36.69604))",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Canis lupus Linnaeus, 1758"
 ]
}

 The dataset includes 3 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0010738-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.r28n7v
title: Occurrence Download

description: A dataset listing the 11 species recorded in GBIF matching the query:
{
 "TaxonKey" : [
 "is Salix brachycarpa Nutt."
 ]
}

 The dataset's 11 records were derived from 128 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0010723-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.s7zfha
title: Occurrence Download

description: A dataset containing 287558 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is one of (Glyceria maxima (Hartm.) Holmb., Gomphrena celosioides Mart., Gunnera tinctoria (Molina) Mirb.)"
 ]
}

 The dataset includes 287558 records from 1116 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0010722-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qaf8f6
title: Occurrence Download

description: A dataset containing 12280 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is one of (Hakea gibbosa (Sm.) Cav., Hakea sericea Schrad. & J.C.Wendl., Harrisia pomanensis (F.A.C.Weber ex K.Schum.) Britton & Rose)"
 ]
}

 The dataset includes 12280 records from 149 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0010740-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.17909/0eta-ym85
title: Data from Broad-Line AGN at 3.5 < z < 6: The Black Hole Mass Function and a Connection with Little Red Dots
DOI: 10.34740/kaggle/dsv/9361867
title: Balochi Language to English Translation Dataset
DOI: 10.15468/dl.u363nw
title: Occurrence Download

description: A dataset containing 164 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Colombia",
 "TaxonKey is Banisteriopsis caapi (Spruce ex Griseb.) C.V.Morton"
 ]
}

 The dataset includes 164 records from 44 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0010741-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.pdr7ap
title: Occurrence Download

description: A dataset containing 39358 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is one of (Hedypnois rhagadioloides (L.) F.W.Schmidt, Heimia myrtifolia (Spreng.) Cham. & Schltdl., Helenium autumnale L.)"
 ]
}

 The dataset includes 39358 records from 615 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0010743-240906103802322/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.1o5ohp
title: Occurrence Download

description: A dataset containing 121 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Renealmia pyramidalis (Lam.) Maas"
 ]
}

 The dataset includes 121 records from 18 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0003839-190320150433242/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.y3uswx
title: Occurrence Download

description: A dataset containing 363560 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Environmental Monitoring Database Species data 1987 to 2015"
 ]
}

 The dataset includes 363560 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000716-190415153152247/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.71dycb
title: Occurrence Download

description: A dataset containing 11323 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Adonis aestivalis L."
 ]
}

 The dataset includes 11323 records from 215 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0028044-190918142434337/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4jddbe
title: Occurrence Download

description: A dataset containing 87728 species occurrences available in GBIF matching the query:
{
 "and" : [
 "GadmGid is NLD",
 "PublishingOrg is c8d737e0-2ff8-42e8-b8fc-6b805d26fc5f",
 "TaxonKey is Syrphidae",
 "Year 1988-2018"
 ]
}

 The dataset includes 87728 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0303097-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.cpdvv7
title: Occurrence Download

description: A dataset containing 14478 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "Country is Canada",
 "Country is United States of America"
 ]
 },
 "Issue is Geodetic datum assumed WGS84",
 "Year 1980-2020",
 "HasCoordinate is true",
 "TaxonKey is Pinus strobus L.",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 14478 records from 42 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0085243-200221144449610/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.