cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.27045338
title: Computational, molecular docking and spectroscopic insights of drug–drug interaction between Ibuprofen and Paracetamol

description: The combination of existing drugs or drug–drug interaction enthralls researcher because of their potential applications in multiple diseases and better efficacy. The present work is undertaken to study the interaction between two drugs, Ibuprofen and Paracetamol, using Density Functional Theory and spectroscopic techniques (Infrared and Raman spectroscopy). The molecular modeling of the two drugs indicates their interaction through intermolecular hydrogen bonds (O34-H53-O2 and (O1-H33-O34), which is observed in Natural Bond Orbital and atoms in molecules analysis of the compound (Ibuprofen + Paracetamol). The experimental Raman, Surface Enhanced Raman Spectroscopy and Infrared spectra of the physical mixture (Ibuprofen + Paracetamol) are found close to their computed wavenumbers. The interacting state, that is, Ibuprofen + Paracetamol is optimized using B3LYP/6-31G ++ (d, p) model under density functional theory framework and different computed quantum chemical parameters such as, dipole moment, ionization energy, electron affinity, electrophilicity index, chemical potential, hardness and the Highest Occupied and Lowest Unoccupied Molecular Orbital energies and energy gaps are calculated and compared to the monomer state of the drugs. The lowering of energy gap and increased in dipole moment of combined drug molecules show potency as an effective hybrid drug. The molecular docking study of the combined drug molecule against the 4PH9 receptor shows a better binding affinity with its residues through hydrogen bonding and hydrophobic interaction.
DOI: 10.6084/m9.figshare.27045338.v1
title: Computational, molecular docking and spectroscopic insights of drug–drug interaction between Ibuprofen and Paracetamol

description: The combination of existing drugs or drug–drug interaction enthralls researcher because of their potential applications in multiple diseases and better efficacy. The present work is undertaken to study the interaction between two drugs, Ibuprofen and Paracetamol, using Density Functional Theory and spectroscopic techniques (Infrared and Raman spectroscopy). The molecular modeling of the two drugs indicates their interaction through intermolecular hydrogen bonds (O34-H53-O2 and (O1-H33-O34), which is observed in Natural Bond Orbital and atoms in molecules analysis of the compound (Ibuprofen + Paracetamol). The experimental Raman, Surface Enhanced Raman Spectroscopy and Infrared spectra of the physical mixture (Ibuprofen + Paracetamol) are found close to their computed wavenumbers. The interacting state, that is, Ibuprofen + Paracetamol is optimized using B3LYP/6-31G ++ (d, p) model under density functional theory framework and different computed quantum chemical parameters such as, dipole moment, ionization energy, electron affinity, electrophilicity index, chemical potential, hardness and the Highest Occupied and Lowest Unoccupied Molecular Orbital energies and energy gaps are calculated and compared to the monomer state of the drugs. The lowering of energy gap and increased in dipole moment of combined drug molecules show potency as an effective hybrid drug. The molecular docking study of the combined drug molecule against the 4PH9 receptor shows a better binding affinity with its residues through hydrogen bonding and hydrophobic interaction.
DOI: 10.6084/m9.figshare.27170225
title: Molecular insights into 5-hydroxymethylfurfural: a computational, spectroscopic, and docking investigation

description: The quantum chemical properties of 5-hydroxymethylfurfural were investigated using Density Functional Theory alongside vibrational spectroscopy. Key outcomes included optimizing molecular structure, vibrational frequencies, and various molecular parameters. By comparing DFT results with experimental infrared spectra, molecular motion was clarified. Reactive sites were identified through Molecular Electrostatic Potential and Fukui function analyses. Hirshfeld surface analysis revealed insights into the crystal structure’s intermolecular interactions and hydrogen bonding. Time-dependent Density Functional Theory combined with the Polarizable Continuum Model provided Ultraviolet spectra, highlighting charge transfer between the highest occupied and lowest unoccupied molecular orbitals. The compound’s electronegativity (4.7239) and electron affinity were assessed. Biological studies, including drug-likeness evaluations and molecular docking, also demonstrated potential physiological benefits, mainly through the compound’s low binding energy. A 100-nanosecond molecular dynamics simulation of the 5-HMF-4LB4 complex revealed its stability and dynamic behavior through analyses of Root Mean Square Deviation, Root Mean Square Fluctuation, hydrogen bonding, Solvent Accessible Surface Area, and radius of gyration.
DOI: 10.5281/zenodo.14553030
title: METHODS FOR DETERMINING THE DEFORMATION FEATURES OF SOILS IN BOREHOLES.
DOI: 10.5281/zenodo.14553031
title: METHODS FOR DETERMINING THE DEFORMATION FEATURES OF SOILS IN BOREHOLES.
DOI: 10.15468/dl.8e4epr
title: Occurrence Download

description: A dataset containing 75 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Human Observation, Specimen)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Heliotropium floridum (A.DC.) Clos"
 ]
}

 The dataset includes 75 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047876-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.14553036
title: NASOS STANSIYALARINING SUV KELTIRISH KANALLARIDAGI LOYQA CHO'KINDILAR DINAMIKASINI HISOBLASH USULLARI
DOI: 10.5281/zenodo.14553037
title: NASOS STANSIYALARINING SUV KELTIRISH KANALLARIDAGI LOYQA CHO'KINDILAR DINAMIKASINI HISOBLASH USULLARI
DOI: 10.5281/zenodo.14553042
title: POLIZ EKINLARIDA KASALLIK KELTIRIB CHIQARUVCHI PARAZIT NEMATODALARGA QARSHI, FIZIKAVIY, KIMYOVIY, PROFILAKTIK KURASH CHORALARI
DOI: 10.5281/zenodo.14553043
title: POLIZ EKINLARIDA KASALLIK KELTIRIB CHIQARUVCHI PARAZIT NEMATODALARGA QARSHI, FIZIKAVIY, KIMYOVIY, PROFILAKTIK KURASH CHORALARI
DOI: 10.15468/dl.b3ufe2
title: Occurrence Download

description: A dataset containing 16 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Human Observation, Specimen)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Heliotropium megalanthum I.M.Johnst."
 ]
}

 The dataset includes 16 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047877-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.392cuc
title: Occurrence Download

description: A dataset containing 285 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Human Observation, Specimen)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Heliotropium taltalense (Phil.) I.M.Johnst."
 ]
}

 The dataset includes 285 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047878-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15472/7omx2b
title: Fauna y Flora del proyecto: Estudio de Impacto Ambiental - EIA para el Área de Desarrollo - AD Golondrina 2022-2024

description: El Estudio de Impacto Ambiental (EIA), denominado "ESTUDIO DE IMPACTO AMBIENTAL – EIA PARA EL ÁREA DE DESARROLLO – AD GOLONDRINA", tiene como objetivo obtener la Licencia Ambiental Global, que permita entre otros aspectos lo siguiente: la conformación del AD Golondrina con una extensión total de 144678,67 ha, y al interior del AD poder realizar las actividades de para la explotación y comercialización de hidrocarburos mediante los métodos convencionales actividades que se desarrollaran a través de cinco grandes estrategias que se simplifican en: Desarrollo de la infraestructura petrolera, suministro energético, Explotación, inyección y optimización de procesos.
description: En el marco del Estudio de Impacto Ambiental (EIA) del proyecto, se realizó la caracterización del componente biótico asociado al área de influencia del mismo, y por eso se presenta este conjunto de datos compuesto por 15.086 registros biológicos que provienen de las actividades de aprovechamiento forestal, inventario forestal, así como muestreos de fauna y flora que se desarrollaron entre los años 2022 y 2024.
description: Los municipios con representación son Puerto Gaitán y Puerto López, ubicados en el departamento de Meta. El recurso se distribuye taxonómicamente en los reinos Plantae (9.070), Fungi (3.421) y Animalia (2.595).
DOI: 10.5281/zenodo.14553053
title: Productivity of Synechococcus sp PCC11901 BC and Chlamydomonas EN1 strain in 1000L pilot unit

description: Producitivity of Synechococcus sp PCC11901 BC and Chlamydomonas EN1 strain in 1000L pilot unit provided by A4F (Portugal) company in the framwwork of the ASTEASIER project
DOI: 10.5281/zenodo.14553052
title: Productivity of Synechococcus sp PCC11901 BC and Chlamydomonas EN1 strain in 1000L pilot unit

description: Producitivity of Synechococcus sp PCC11901 BC and Chlamydomonas EN1 strain in 1000L pilot unit provided by A4F (Portugal) company in the framwwork of the ASTEASIER project
DOI: 10.15468/dl.4vg48m
title: Occurrence Download

description: A dataset containing 36 species occurrences available in GBIF matching the query:
{
 "and" : [
 "GadmGid is one of (ETH, ERI)",
 "OccurrenceStatus is Present",
 "TaxonKey is Euphorbia abyssinica J.F.Gmel."
 ]
}

 The dataset includes 36 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047879-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.pjfyg8
title: Occurrence Download

description: A dataset containing 320 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "Country is India",
 "TaxonKey is Hypnale hypnale (Merrem, 1820)"
 ]
}

 The dataset includes 320 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047880-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.14553054
title: Mosbeh et al NGS HCV Egypt_Supplementary Table S1
DOI: 10.26302/sshade/bandlist_abs_hcn_hcn-ii
title: Absorption band list of HCN in solid HCN (phase II)

description: FIR-MIR absorption band list of HCN in solid HCN (phase II) at 35 and 95 K
DOI: 10.26302/sshade/bandlist_raman_hcn_hcn-ii
title: Raman band list of HCN in solid HCN (phase II)

description: FIR-MIR Raman band list of HCN in solid HCN (phase II) at 35 and 95 K
DOI: 10.21227/gtmh-rt35
title: Prediction of pacing using HRV

description: Pacemaker use due to conduction abnormalities is a common complication following surgical aortic valve replacement (AVR). Heart rate variability (HRV) is associated with sinus node dysfunction and significant dysrhythmias. However, its predictive value for postoperative electrical pacing requirements after AVR remains unclear. This retrospective study reviewed pre-registered electrical records from 194 adult patients who underwent isolated AVR. HRV parameters in both time and frequency domains were obtained prior to anesthesia induction and before initiating cardiopulmonary bypass. Tree-based machine learning (ML) models, including RandomForest, LightGBM, and ExtraTrees, were developed using HRV parameters and clinical variables to predict postoperative pacing needs. The incidence of temporary electrical pacing postoperatively was 35.1% (34.8% in the training set and 35.9% in the test set). The RandomForest model incorporating both HRV and clinical features achieved an area under the receiver operating characteristic curve of 0.731 (95%CI, 0.681–0.781) and an area under the precision-recall curve of 0.687 (95%CI, 0.619–0.746). In conclusion, ML models leveraging HRV demonstrated potential for predicting postoperative pacemaker requirements following isolated surgical AVR. Accurate prediction of significant conduction disturbances through HRV-based ML algorithms may enable timely interventions and improved management for at-risk patients in clinical practice.
DOI: 10.6084/m9.figshare.28090748
title: HarvardOxfordAtlasSubcortical.h5

description: Harvard Oxford Atlas labeling weights<br>
DOI: 10.6084/m9.figshare.28090748.v1
title: HarvardOxfordAtlasSubcortical.h5

description: Harvard Oxford Atlas labeling weights<br>
DOI: 10.34740/kaggle/dsv/10289763
title: Tuition Service CioalTutors.com
DOI: 10.5281/zenodo.14553165
title: ЎТКИР БУЙРАК ЕТИШМОВЧИЛИГИНИ ОШ ТУЗИ ЁРДАМИДА ЧАКИРИШ УСУЛИ.
DOI: 10.5281/zenodo.14553166
title: ЎТКИР БУЙРАК ЕТИШМОВЧИЛИГИНИ ОШ ТУЗИ ЁРДАМИДА ЧАКИРИШ УСУЛИ.
DOI: 10.15468/dl.h6rpcp
title: Occurrence Download

description: A dataset containing 151976 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Populus alba L."
 ]
}

 The dataset includes 151976 records from 1534 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047881-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.bfhqv8
title: Occurrence Download

description: A dataset containing 125 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Rhinella limensis (Werner, 1901)"
 ]
}

 The dataset includes 125 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004684-250402121839773/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qj359e
title: Occurrence Download

description: A dataset containing 52 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Lysimachia barbata (P.Taylor) U.Manns & Anderb.",
 "Continent is Africa"
 ]
}

 The dataset includes 52 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004685-250402121839773/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.knuzua
title: Occurrence Download

description: A dataset containing 456160861 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "BasisOfRecord is Human Observation",
 "BasisOfRecord is Specimen"
 ]
 },
 "HasCoordinate is true",
 "TaxonKey is Aves",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 456160861 records from 1525 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007567-180412121330197/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.11421058
title: Here by the sea and sand - Supplementary

description: The data provided here make up the supplementary information for the journal article 'Here by the sea and sand': Uninterrupted hunter-fisher-gatherer coastal habitation despite considerable population growth. by Lundström, Simpson and Yaworsky. All analyses were performed in R v4.3.1, Rstudio 2024.04.1, QGIS 3.22.14, GRASS 7.8. An earlier version of the analysis can be found in "LundstromSimpsonYaworsky2023_Analyses.html" and the final can be found in "Here by the sea and sand_Supplementary1.pdf".
DOI: 10.15468/dl.r1jlpg
title: Occurrence Download

description: A dataset containing 1215355553 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 1215355553 records from 20032 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0028934-190415153152247/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.jrtkhm
title: Occurrence Download

description: A dataset listing the 4 species recorded in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-74.25074 5.74012,-74.28497 5.72532,-74.24479 5.65423,-74.20758 5.54759,-74.09894 5.55944,-73.98434 5.57574,-73.92184 5.61869,-73.90844 5.67645,-73.99774 5.7653,-74.08257 5.78751,-74.17335 5.79195,-74.25074 5.74012))",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Strigiformes",
 "Year 2000-2025"
 ]
}

 The dataset's 4 records were derived from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006018-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xs85hu
title: Occurrence Download

description: A dataset containing 1827 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Grateloupia turuturu Yamada"
 ]
}

 The dataset includes 1827 records from 59 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0182992-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ybdnr6
title: Occurrence Download

description: A dataset containing 12 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Year 1990-1990",
 "Geometry POLYGON((27.081298828125 -31.05293398570514,27.476806640625 -30.77015911578419,28.531494140625 -30.845647420182594,28.992919921875 -30.600093873550065,29.586181640625 -30.63791202834112,29.036865234375 -31.653381399663985,28.377685546874996 -32.324275588876546,27.740478515625 -32.78727452695549,26.861572265624996 -32.9164853473144,26.070556640625 -32.75032260780971,25.762939453125 -32.0639555946604,25.850830078125 -31.316101383495635,26.663818359375 -31.0341083449035,27.081298828125 -31.05293398570514))",
 "TaxonKey is Gyps coprotheres (J.R.Forster, 1798)"
 ]
}

 The dataset includes 12 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0021727-180131172636756/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.fbd7fj
title: Occurrence Download

description: A dataset containing 851 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-65.78852 49.23081,-65.78927 49.23378,-65.79035 49.23562,-65.79178 49.23722,-65.79464 49.23899,-65.79825 49.23956,-65.80025 49.23951,-65.80254 49.23951,-65.80506 49.23876,-65.80723 49.23687,-65.80878 49.2355,-65.81089 49.23281,-65.81221 49.23098,-65.81261 49.22852,-65.81341 49.22657,-65.81404 49.2232,-65.81255 49.2204,-65.81181 49.21845,-65.80924 49.21628,-65.80563 49.21467,-65.80134 49.21353,-65.79493 49.21399,-65.79258 49.21502,-65.78944 49.2169,-65.78675 49.21959,-65.78606 49.2236,-65.78658 49.22755,-65.78852 49.23081))",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 851 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0182983-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.tsy0bs
title: Occurrence Download

description: A dataset containing 2291 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "Country is Australia",
 {
 "or" : [
 "Month is March",
 "Month is April"
 ]
 },
 "Year 2000-2018",
 "DatasetKey is NSW BioNet Atlas",
 "HasCoordinate is true",
 "TaxonKey is Pteropus poliocephalus Temminck, 1825",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 2291 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0021727-180508205500799/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.f525px
title: Occurrence Download

description: A dataset containing 1163 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Phyllomedusa vaillantii Boulenger, 1882"
 ]
}

 The dataset includes 1163 records from 53 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0182986-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.5twmsa
title: Occurrence Download

description: A dataset containing 3916 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-111.77142 26.06728,-111.29363 26.06728,-111.29363 26.43517,-111.77142 26.43517,-111.77142 26.06728))",
 "TaxonKey is Plantae"
 ]
}

 The dataset includes 3916 records from 74 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0048402-240506114902167/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.eqgasu
title: Occurrence Download

description: A dataset containing 25830876 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "BasisOfRecord is Observation",
 "BasisOfRecord is Human Observation"
 ]
 },
 {
 "or" : [
 "Month is January",
 "Month is February",
 "Month is March",
 "Month is April",
 "Month is May"
 ]
 },
 "Year 2013-2013",
 "HasCoordinate is true",
 "TaxonKey is Aves",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 25830876 records from 284 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0021727-181108115102211/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.82umva
title: Occurrence Download

description: A dataset containing 27273 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Waarnemingen.be - Other insect occurrences in Flanders and the Brussels Capital Region, Belgium"
 ]
}

 The dataset includes 27273 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0187201-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.snvqvc
title: Occurrence Download

description: A dataset containing 1530 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Pyrola chlorantha Sw.",
 "BasisOfRecord is one of (Specimen)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Country is one of (United States of America, Canada)"
 ]
}

 The dataset includes 1530 records from 62 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0270019-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.gyt2qs
title: Occurrence Download

description: A dataset containing 96249 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Waarnemingen.be - Hemiptera occurrences in Flanders and the Brussels Capital Region, Belgium"
 ]
}

 The dataset includes 96249 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0187202-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.