cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.qapvmr
title: Occurrence Download

description: A dataset containing 955 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-90.14972 -42.29472,-18.89736 -42.29472,-18.89736 18.5821,-90.14972 18.5821,-90.14972 -42.29472))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Epipremnum aureum (Linden & André) G.S.Bunting"
 ]
}

 The dataset includes 955 records from 19 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0044449-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.28071317
title: Annotation of the Thunnus albacares genome

description: Chrosome assembly annotation files of the yellowfin tChromosome assembly annotationuna (Thunnus albacares) genome from the South China Sea
DOI: 10.6084/m9.figshare.28071317.v1
title: Annotation of the Thunnus albacares genome

description: Chrosome assembly annotation files of the yellowfin tChromosome assembly annotationuna (Thunnus albacares) genome from the South China Sea
DOI: 10.15468/dl.f8gw46
title: Occurrence Download

description: A dataset containing 21021 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-89.38511 -40.06494,-26.68501 -40.06494,-26.68501 15.98749,-89.38511 15.98749,-89.38511 -40.06494))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Eucalyptus L'Hér."
 ]
}

 The dataset includes 21021 records from 238 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0044450-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.28071711
title: Large Precision Matrix Estimation with Unknown Group Structure

description: The estimation of large precision matrices is crucial in modern multivariate analysis. Traditional sparsity assumptions, while useful, often fall short of accurately capturing the dependencies among features. This paper addresses this limitation by focusing on precision matrix estimation for multivariate data characterized by a flexible yet unknown group structure. We introduce a novel approach that begins with the detection of this unknown group structure, clustering features within the low-dimensional space defined by the leading eigenvectors of the sample covariance matrix. Following this, we employ group-wise multivariate response linear regressions, guided by the identified group memberships, to estimate the precision matrix. We rigorously establish the theoretical foundations of our proposed method for both group detection and precision matrix estimation. The superior numerical performance of our approach is demonstrated through comprehensive simulation experiments and a comparative analysis with established methods in the field. Additionally, we apply our method to a real breast cancer dataset, showcasing its practical utility and effectiveness.
DOI: 10.6084/m9.figshare.28071711.v1
title: Large Precision Matrix Estimation with Unknown Group Structure

description: The estimation of large precision matrices is crucial in modern multivariate analysis. Traditional sparsity assumptions, while useful, often fall short of accurately capturing the dependencies among features. This paper addresses this limitation by focusing on precision matrix estimation for multivariate data characterized by a flexible yet unknown group structure. We introduce a novel approach that begins with the detection of this unknown group structure, clustering features within the low-dimensional space defined by the leading eigenvectors of the sample covariance matrix. Following this, we employ group-wise multivariate response linear regressions, guided by the identified group memberships, to estimate the precision matrix. We rigorously establish the theoretical foundations of our proposed method for both group detection and precision matrix estimation. The superior numerical performance of our approach is demonstrated through comprehensive simulation experiments and a comparative analysis with established methods in the field. Additionally, we apply our method to a real breast cancer dataset, showcasing its practical utility and effectiveness.
DOI: 10.6084/m9.figshare.28071714
title: Comparison of Longitudinal Trajectories Using a High-dimensional Partial Linear Semiparametric Mixed-Effects Model

description: In longitudinal research, it is essential to compare sets of trajectories, commonly seen as changes over time in different treatment or patient groups. This paper presents a partial linear semiparametric mixed-effects model (PLSMM) for the analysis and comparison of nonlinear longitudinal trajectories with high-dimensional covariates across groups. Our flexible modeling framework can effectively handle complex temporal effects and extensive data while providing statistical inference. This method is particularly useful for evaluating differences in both linear and nonlinear components between groups, with a key strength being its ability to model nonlinear patterns without requiring prior knowledge of the functional forms. Instead, it employs a dictionary search strategy to automatically select appropriate basis functions to capture the nonlinear trends. This approach is also capable of handling longitudinal observations with irregular time points. A novel debiasing procedure is proposed for the post-selection inference on the linear components of PLSMM, and a bootstrap method is used for the comparison of nonlinear components. The model has been tested in different simulation settings and applied to a cohort study examining the evolution of oral <i>Candida albicans</i> concentration in young children from birth to two years of age in different racial groups.
DOI: 10.6084/m9.figshare.28071714.v1
title: Comparison of Longitudinal Trajectories Using a High-dimensional Partial Linear Semiparametric Mixed-Effects Model

description: In longitudinal research, it is essential to compare sets of trajectories, commonly seen as changes over time in different treatment or patient groups. This paper presents a partial linear semiparametric mixed-effects model (PLSMM) for the analysis and comparison of nonlinear longitudinal trajectories with high-dimensional covariates across groups. Our flexible modeling framework can effectively handle complex temporal effects and extensive data while providing statistical inference. This method is particularly useful for evaluating differences in both linear and nonlinear components between groups, with a key strength being its ability to model nonlinear patterns without requiring prior knowledge of the functional forms. Instead, it employs a dictionary search strategy to automatically select appropriate basis functions to capture the nonlinear trends. This approach is also capable of handling longitudinal observations with irregular time points. A novel debiasing procedure is proposed for the post-selection inference on the linear components of PLSMM, and a bootstrap method is used for the comparison of nonlinear components. The model has been tested in different simulation settings and applied to a cohort study examining the evolution of oral <i>Candida albicans</i> concentration in young children from birth to two years of age in different racial groups.
DOI: 10.6084/m9.figshare.21407373
title: Phenolysis of 2, 2′-Biphenoxy Thiophosphinic Chloride: Crystal Structures and DFT Calculations of 2, 2′-Biphenyl 4-<i>Tert</i>-Butylphenyl Thiophosphinate and 2, 2′-Biphenyl 3,4-<i>di</i>-Methylphenyl Thiophosphinate

description: In this work, firstly, thiophosphoryl chloride, PSCl<sub>3</sub> (<b>1</b>), with 2,2’-dihydroxybiphenyl, 2,2′-HOC<sub>6</sub>H<sub>4</sub>C<sub>6</sub>H<sub>4</sub>OH (<b>2</b>) were reacted. 2, 2′-biphenoxy thiophosphinic chloride (<b>3</b>) was obtained from this reaction. Second, the reactions of compound (<b>3</b>) with sterically hindered phenol derivatives (<b>4a–4h</b>) were investigated. Novel alkyl-substituted phenyl 2, 2′-biphenyl-thiophosphinate esters (C<sub>6</sub>H<sub>4</sub>O)<sub>2</sub>P(S)OAr (<b>5–12</b>) were obtained from these reactions. Structures of (<b>5–12</b>) were defined by IR, <sup>1</sup>H, <sup>13</sup>C, <sup>31</sup>P NMR spectroscopy, and elemental analysis. The molecular structures of 2, 2′-biphenyl 4-<i>tert-</i>butylphenyl thiophosphinate (<b>11</b>) and 2, 2′-biphenyl 3,4-<i>di</i>-methylphenyl thiophosphinate (<b>6</b>) were determined by single-crystal X-ray diffraction. Density functional theory (DFT) calculations of compounds <b>6</b> and <b>11</b> were made. The theoretical analysis of IR and NMR spectra was performed by DFT based on B3LYP level of theory.
DOI: 10.6084/m9.figshare.21214973
title: Solvation Effects, Reactivity Studies and Molecular Dynamics of Two Phosphonic Acids – Theoretical Investigation

description: Cancer metastasis or the spread of cancer cells from main tumor to other parts of the body is the most common cause of morbidity and mortality in cancer patients. Due to applications of risedronate (RES) and zoledronate (ZLA) in the medical field, the solvation effects, reactivity studies, and molecular dynamics (MD) are reported. The solvation-free energy in water (hydration-free energy) indicates good solubility in an aqueous medium, a factor that corroborates the biological activity. The O…H distances (P=O to OH) gives interactions in vacuum and solvents. Change in free energy for the RES and ZLA with both solvents indicated the process happen in spontaneously. Van der walls interactions demonstrated that the intramolecular hydrogen bonds at O4–C15 (RES) and at O8–H21, O3–H22, N10–H19, and O6–H17 (ZLA). MD and simulation of the ligand bound main WNT5A were studied in details to understand the nature of possible binding motifs and structurally stable conformations.
DOI: 10.6084/m9.figshare.21214973.v1
title: Solvation Effects, Reactivity Studies and Molecular Dynamics of Two Phosphonic Acids – Theoretical Investigation

description: Cancer metastasis or the spread of cancer cells from main tumor to other parts of the body is the most common cause of morbidity and mortality in cancer patients. Due to applications of risedronate (RES) and zoledronate (ZLA) in the medical field, the solvation effects, reactivity studies, and molecular dynamics (MD) are reported. The solvation-free energy in water (hydration-free energy) indicates good solubility in an aqueous medium, a factor that corroborates the biological activity. The O…H distances (P=O to OH) gives interactions in vacuum and solvents. Change in free energy for the RES and ZLA with both solvents indicated the process happen in spontaneously. Van der walls interactions demonstrated that the intramolecular hydrogen bonds at O4–C15 (RES) and at O8–H21, O3–H22, N10–H19, and O6–H17 (ZLA). MD and simulation of the ligand bound main WNT5A were studied in details to understand the nature of possible binding motifs and structurally stable conformations.
DOI: 10.6084/m9.figshare.21407373.v1
title: Phenolysis of 2, 2′-Biphenoxy Thiophosphinic Chloride: Crystal Structures and DFT Calculations of 2, 2′-Biphenyl 4-<i>Tert</i>-Butylphenyl Thiophosphinate and 2, 2′-Biphenyl 3,4-<i>di</i>-Methylphenyl Thiophosphinate

description: In this work, firstly, thiophosphoryl chloride, PSCl<sub>3</sub> (<b>1</b>), with 2,2’-dihydroxybiphenyl, 2,2′-HOC<sub>6</sub>H<sub>4</sub>C<sub>6</sub>H<sub>4</sub>OH (<b>2</b>) were reacted. 2, 2′-biphenoxy thiophosphinic chloride (<b>3</b>) was obtained from this reaction. Second, the reactions of compound (<b>3</b>) with sterically hindered phenol derivatives (<b>4a–4h</b>) were investigated. Novel alkyl-substituted phenyl 2, 2′-biphenyl-thiophosphinate esters (C<sub>6</sub>H<sub>4</sub>O)<sub>2</sub>P(S)OAr (<b>5–12</b>) were obtained from these reactions. Structures of (<b>5–12</b>) were defined by IR, <sup>1</sup>H, <sup>13</sup>C, <sup>31</sup>P NMR spectroscopy, and elemental analysis. The molecular structures of 2, 2′-biphenyl 4-<i>tert-</i>butylphenyl thiophosphinate (<b>11</b>) and 2, 2′-biphenyl 3,4-<i>di</i>-methylphenyl thiophosphinate (<b>6</b>) were determined by single-crystal X-ray diffraction. Density functional theory (DFT) calculations of compounds <b>6</b> and <b>11</b> were made. The theoretical analysis of IR and NMR spectra was performed by DFT based on B3LYP level of theory.
DOI: 10.25810/rxtv-eb29.80
title: German Newspaper Coverage of Climate Change or Global Warming, 2004-2024 - November 2024

description: The Media and Climate Change Observatory Data monitors 126 sources (across newspapers, radio and TV) in 58 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: 10.6084/m9.figshare.21509727
title: Pharmacophore Modeling, 3D QSAR, Molecular Dynamics Studies and Virtual Screening on Pyrazolopyrimidines as anti-Breast Cancer Agents

description: Various targets, such as estrogen receptor (ER), mammalian target ofrapamycin(mTOR), epidermal growth factor receptor (EGFR), androgen receptor (AR) andpoly adenosine diphosphate-ribose polymerase (PARP), are focused on the treatment of breast cancer. In this study, in silico tools such as pharmacophore modeling, 3D QSAR study, molecular docking, binding free energy determination and molecular dynamics were executed on a series of pyrazolopyrimidines derivatives. The pharmacophore modeling of forty-one anticancer derivatives was generated, and atom-based 3D QSAR was applied. Molecular docking, dynamics, binding energy and high-throughput virtual screening (HTVS) were conducted by the software Schrodinger. The best five featured pharmacophore hypotheses AHRRR_1 with a maximum survival score of 5.533 was subjected to rigorous scoring function analysis and 3D QSAR studies. Docking studies and binding free energy were carried out on 41 inhibitors for their anti-breast cancer activity against human estrogen, progesterone receptor, EGFR kinase and mammalian target of rapamycin mTOR. Molecular dynamics simulation of the docked complex-34/4WKQ validated the stability of this complex. HTVS was performed to determine the virtual hits with the best-fitted model AHRRR_1. New EGFR kinase inhibitors were designed based on the active compound templates. Molecular docking was carried out on virtual hits, and newly designed compounds and dynamics studies revealed that the binding modes obtained after MD simulation were more or less similar to that acquired post docking mode. Promiscuity assessments demonstrated that designed compounds would be specific rather than a promiscuous one. Based on these findings, we have designed four novel compounds as anti-breast inhibitors, with potent binding affinity and desirable ADME properties.
DOI: 10.6084/m9.figshare.21509727.v2
title: Pharmacophore Modeling, 3D QSAR, Molecular Dynamics Studies and Virtual Screening on Pyrazolopyrimidines as anti-Breast Cancer Agents

description: Various targets, such as estrogen receptor (ER), mammalian target ofrapamycin(mTOR), epidermal growth factor receptor (EGFR), androgen receptor (AR) andpoly adenosine diphosphate-ribose polymerase (PARP), are focused on the treatment of breast cancer. In this study, in silico tools such as pharmacophore modeling, 3D QSAR study, molecular docking, binding free energy determination and molecular dynamics were executed on a series of pyrazolopyrimidines derivatives. The pharmacophore modeling of forty-one anticancer derivatives was generated, and atom-based 3D QSAR was applied. Molecular docking, dynamics, binding energy and high-throughput virtual screening (HTVS) were conducted by the software Schrodinger. The best five featured pharmacophore hypotheses AHRRR_1 with a maximum survival score of 5.533 was subjected to rigorous scoring function analysis and 3D QSAR studies. Docking studies and binding free energy were carried out on 41 inhibitors for their anti-breast cancer activity against human estrogen, progesterone receptor, EGFR kinase and mammalian target of rapamycin mTOR. Molecular dynamics simulation of the docked complex-34/4WKQ validated the stability of this complex. HTVS was performed to determine the virtual hits with the best-fitted model AHRRR_1. New EGFR kinase inhibitors were designed based on the active compound templates. Molecular docking was carried out on virtual hits, and newly designed compounds and dynamics studies revealed that the binding modes obtained after MD simulation were more or less similar to that acquired post docking mode. Promiscuity assessments demonstrated that designed compounds would be specific rather than a promiscuous one. Based on these findings, we have designed four novel compounds as anti-breast inhibitors, with potent binding affinity and desirable ADME properties.
DOI: 10.6084/m9.figshare.21509727.v1
title: Pharmacophore Modeling, 3D QSAR, Molecular Dynamics Studies and Virtual Screening on Pyrazolopyrimidines as anti-Breast Cancer Agents

description: Various targets, such as estrogen receptor (ER), mammalian target ofrapamycin(mTOR), epidermal growth factor receptor (EGFR), androgen receptor (AR) andpoly adenosine diphosphate-ribose polymerase (PARP), are focused on the treatment of breast cancer. In this study, in silico tools such as pharmacophore modeling, 3D QSAR study, molecular docking, binding free energy determination and molecular dynamics were executed on a series of pyrazolopyrimidines derivatives. The pharmacophore modeling of forty-one anticancer derivatives was generated, and atom-based 3D QSAR was applied. Molecular docking, dynamics, binding energy and high-throughput virtual screening (HTVS) were conducted by the software Schrodinger. The best five featured pharmacophore hypotheses AHRRR_1 with a maximum survival score of 5.533 was subjected to rigorous scoring function analysis and 3D QSAR studies. Docking studies and binding free energy were carried out on 41 inhibitors for their anti-breast cancer activity against human estrogen, progesterone receptor, EGFR kinase and mammalian target of rapamycin mTOR. Molecular dynamics simulation of the docked complex-34/4WKQ validated the stability of this complex. HTVS was performed to determine the virtual hits with the best-fitted model AHRRR_1. New EGFR kinase inhibitors were designed based on the active compound templates. Molecular docking was carried out on virtual hits, and newly designed compounds and dynamics studies revealed that the binding modes obtained after MD simulation were more or less similar to that acquired post docking mode. Promiscuity assessments demonstrated that designed compounds would be specific rather than a promiscuous one. Based on these findings, we have designed four novel compounds as anti-breast inhibitors, with potent binding affinity and desirable ADME properties.
DOI: 10.15468/dl.hggmhm
title: Occurrence Download

description: A dataset containing 692698 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "Continent is Europe",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Quercus robur L.",
 "Year 2004-2024"
 ]
}

 The dataset includes 692698 records from 2785 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0044434-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/yp8-mh7-pth
title: Nymphalidae

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.17026/dans-zwn-m6j9
title: Venlo Plangebied Fresh Park Venlo Proefsleuvenonderzoek
title: Een Inventariserend Veldonderzoek in de vorm van proefsleuven (Fases 1 en 2)

description: &lt;p&gt;In januari en februari van 2010 heeft ADC ArcheoProjecten in opdracht van ZON Support B.V. een gefaseerd archeologisch onderzoek in de vorm van proefsleuven uitgevoerd op de locatie Fresh Park Venlo, te Venlo. De uitvoering in meerdere fases stond niet beschreven in het PvE. Deze afwijking ten opzichte van het PvE kwam pas later aan de orde en heeft te maken met het naar voren halen van de zone die het eerst ontwikkeld dient te worden (fase 1), de niet beschikbaarheid van sommige gronden vanwege de aanwezigheid van bos (fase 2) en het nog niet in eigendom hebben van sommige gronden (fase 3). Dit rapport omvat de onderzoeksresultaten van de fases 1 en 2 van het Inventariserend Veldonderzoek.&lt;/p&gt;&lt;p&gt;Fase 1 werd opgedeeld in drie subzones. In de zuidwestelijke zone zijn, buiten bezandingsgreppels, geen archeologische waarden meer aangetroffen. Na de uitbreiding ter hoogte van werkput 72 werd duidelijk dat de houtskoolrijke kuilen die in deze zone aangetroffen zijn, van bomen afkomstig zijn.&lt;br&gt;Ten noorden ervan liggen de proefsleuven van fase 2. Hier werden een houtskoolmeiler en drie mogelijke paalkuilen aangetroffen. 70 % van de geregistreerde grondsporen is natuurlijk. Het percentage recente verstoringen bedraagt 21%. De sporendichtheid in deze zone is gering. In de proefsleuven 18, 27, 50, 66 en 81, die door de Meerlosebaan heen werden aangelegd, werd geen bewijs aangetroffen die een datering ouder dan de Nieuwe tijd doet vermoeden.&lt;/p&gt;&lt;p&gt;De noordelijke zone van fase 1 bevat weinig sporen. De meeste gecoupeerde grondsporen blijken bijna allemaal natuurlijk te zijn. Enkel in werkput 6 werd een duidelijke paalkuil gecoupeerd (spoor 26). Tijdens fase 2 werd hier een extra werkput aangelegd. Dit leverde weinig sporen op.&lt;br&gt;In de oostelijke zone van fase 1 is op veel plekken nog een plaggendek aanwezig, wat de hoge archeologische waarde van het terrein rechtvaardigt. Er werden wel een aantal noemenswaardige archeologische grondsporen aangetroffen, echter, niet veel. De meeste sporen lijken qua kleur en textuur in de Nieuwe tijd te dateren. In één paalkuil (werkput 39, spoor 7) werd een fragment middeleeuws aardewerk aangetroffen. De houtskoolmeiler in werkput 79 (werkput 79, spoor 2) is vermoedelijk eveneens in de Middeleeuwen te dateren.&lt;/p&gt;&lt;p&gt;De aanwezige archeologische waarden zijn volgens de uitvoerder niet behoudenswaardig.&lt;/p&gt;
description: &lt;p&gt;Venlo, Fresh Park Venlo&lt;/p&gt;
description: Date Submitted: 2011-01-10
DOI: 10.3535/v5v-sxs-1he
title: Delias meeki Rothschild, 1904

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/vv5-ke5-7zd
title: Eurema

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/0qn-zag-h0p
title: Delias bakeri Kenrick, 1909

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/0y1-x8e-tpl
title: Elodina hypatia Felder & Felder, 1865

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/df7-vr3-01j
title: Pachliopta polydorus (Linnaeus, 1763)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.17026/dans-zwn-mg62
title: PAN-00092900 - civil uniform emblem

description: &lt;p&gt;This find is registered at Portable Antiquities of the Netherlands with number PAN-00092900&lt;/p&gt;
description: Modified: 2022-01-10T11:52:34+01:00
DOI: 10.3535/1dl-776-0tq
title: Pieridae

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/6ed-r9x-lz5
title: Ornithoptera croesus Wallace, 1859

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/5fm-ldr-j91
title: Graphium eurypylus (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.