cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.24968896
title: A computational study on structural and functional consequences of nsSNPs in human dopa decarboxylase

description: The Dopa Decarboxylase (DDC) gene plays an important role in the synthesis of biogenic amines such as dopamine, serotonin, and histamine. Non-synonymous single nucleotide polymorphisms (nsSNPs) in the DDC gene have been linked with various neurodegenerative disorders. In this study, a comprehensive <i>in silico</i> analysis of nsSNPs in the DDC gene was conducted to assess their potential functional consequences and associations with disease outcomes. Using publicly available databases, a complete list of nsSNPs in the DDC gene was obtained. 29 computational tools and algorithms were used to characterise the effects of these nsSNPs on protein structure, function, and stability. In addition, the population-based association studies were performed to investigate possible associations between specific nsSNPs and arthritis. Our research identified four novel DDC gene nsSNPs that have a major impact on the structure and function of proteins. Through molecular dynamics simulations (MDS), we observed changes in the stability of the DDC protein induced by specific nsSNPs. Furthermore, population-based association studies have revealed potential associations between certain DDC nsSNPs and various neurological disorders, including Parkinson’s disease and dementia. The <i>in silico</i> approach used in this study offers insightful information about the functional effects of nsSNPs in the DDC gene. These discoveries provide insight into the cellular processes that underlie cognitive disorders. Furthermore, the detection of disease-associated nsSNPs in the DDC gene may facilitate the development of tailored and targeted therapy approaches.
DOI: 10.6084/m9.figshare.24968896.v1
title: A computational study on structural and functional consequences of nsSNPs in human dopa decarboxylase

description: The Dopa Decarboxylase (DDC) gene plays an important role in the synthesis of biogenic amines such as dopamine, serotonin, and histamine. Non-synonymous single nucleotide polymorphisms (nsSNPs) in the DDC gene have been linked with various neurodegenerative disorders. In this study, a comprehensive <i>in silico</i> analysis of nsSNPs in the DDC gene was conducted to assess their potential functional consequences and associations with disease outcomes. Using publicly available databases, a complete list of nsSNPs in the DDC gene was obtained. 29 computational tools and algorithms were used to characterise the effects of these nsSNPs on protein structure, function, and stability. In addition, the population-based association studies were performed to investigate possible associations between specific nsSNPs and arthritis. Our research identified four novel DDC gene nsSNPs that have a major impact on the structure and function of proteins. Through molecular dynamics simulations (MDS), we observed changes in the stability of the DDC protein induced by specific nsSNPs. Furthermore, population-based association studies have revealed potential associations between certain DDC nsSNPs and various neurological disorders, including Parkinson’s disease and dementia. The <i>in silico</i> approach used in this study offers insightful information about the functional effects of nsSNPs in the DDC gene. These discoveries provide insight into the cellular processes that underlie cognitive disorders. Furthermore, the detection of disease-associated nsSNPs in the DDC gene may facilitate the development of tailored and targeted therapy approaches.
DOI: 10.6084/m9.figshare.24942051
title: Investigating the mechanism of Sinisan formula in depression treatment: a comprehensive analysis using GEO datasets, network pharmacology, and molecular docking

description: The herbal formula Sinisan (SNS) is a commonly used treatment for depression; however, its mechanism of action remains unclear. This article uses a combination of the GEO database, network pharmacology and molecular docking technologies to investigate the mechanism of action of SNS. The aim is to provide new insights and methods for future depression treatments. The study aims to extract effective compounds and targets for the treatment of depression from the T CMSP database. Relevant targets were searched using the GEO, Disgenet, Drugbank, PharmGKB and T T D databases, followed by screening of core targets. In addition, GO and KEGG pathway enrichment analyses were performed to explore potential pathways for the treatment of depression. Molecular docking was used to evaluate the potential targets and compounds and to identify the optimal core protein-compound complex. Molecular dynamics was used to further investigate the dynamic variability and stability of the complex. The study identified 118 active SNS components and 208 corresponding targets. Topological analysis of P P I networks identified 11 core targets. GO and KEGG pathway enrichment analyses revealed that the mechanism of action for depression involves genes associated with inflammation, apoptosis, oxidative stress, and the MAP K3 and P I3K-Akt signalling pathways. Molecular docking and dynamics simulations showed a strong binding affinity between these compounds and the screened targets, indicating promising biological activity. The present study investigated the active components, targets and pathways of SNS in the treatment of depression. Through a preliminary investigation, key signalling pathways and compounds were identified. These findings provide new directions and ideas for future research on the therapeutic mechanism of SNS and its clinical application in the treatment of depression.
DOI: 10.6084/m9.figshare.24942051.v1
title: Investigating the mechanism of Sinisan formula in depression treatment: a comprehensive analysis using GEO datasets, network pharmacology, and molecular docking

description: The herbal formula Sinisan (SNS) is a commonly used treatment for depression; however, its mechanism of action remains unclear. This article uses a combination of the GEO database, network pharmacology and molecular docking technologies to investigate the mechanism of action of SNS. The aim is to provide new insights and methods for future depression treatments. The study aims to extract effective compounds and targets for the treatment of depression from the T CMSP database. Relevant targets were searched using the GEO, Disgenet, Drugbank, PharmGKB and T T D databases, followed by screening of core targets. In addition, GO and KEGG pathway enrichment analyses were performed to explore potential pathways for the treatment of depression. Molecular docking was used to evaluate the potential targets and compounds and to identify the optimal core protein-compound complex. Molecular dynamics was used to further investigate the dynamic variability and stability of the complex. The study identified 118 active SNS components and 208 corresponding targets. Topological analysis of P P I networks identified 11 core targets. GO and KEGG pathway enrichment analyses revealed that the mechanism of action for depression involves genes associated with inflammation, apoptosis, oxidative stress, and the MAP K3 and P I3K-Akt signalling pathways. Molecular docking and dynamics simulations showed a strong binding affinity between these compounds and the screened targets, indicating promising biological activity. The present study investigated the active components, targets and pathways of SNS in the treatment of depression. Through a preliminary investigation, key signalling pathways and compounds were identified. These findings provide new directions and ideas for future research on the therapeutic mechanism of SNS and its clinical application in the treatment of depression.
DOI: 10.6084/m9.figshare.25205054
title: Identification of characteristic genes and herbal compounds for the treatment of psoriasis based on machine learning and molecular dynamics simulation

description: Psoriasis brings economic and mental burdens to patients, the exact etiology and pathogenesis of psoriasis are still unclear. Compounds of herbal medicine have the potential for psoriasis treatment. This study aims to explore the characteristic genes for psoriasis, which herbal compounds may target. Four differential gene expression datasets, with 181 healthy skin and 181 psoriasis skin lesion samples, were used for analysis. This study employed random forest, neural network, and support vector machine algorithms to identify the characteristic genes associated with psoriasis. The identified genes were validated using external datasets. Then, the main compounds were identified. The targets of compounds were collected through SwissTargetPrediction, Super-PRED, HERB databases, and so on. Finally, a batch virtual screening of compounds with the identified characteristic genes was conducted. Open Babel and AutoDock Tools 1.5.6 were used for molecular docking, and Desmond was used to evaluate molecular dynamics simulations. Twelve characteristic genes, successfully validated in external datasets genes, were identified from 1270 differential genes. The 59 compounds identified contained 1795 targets. There are 143 intersections between differential genes and compound targets. Two-hundred and ninety-four compound-target combinations were selected for molecular docking screening. It was finally found that 8 protein-ligand combinations are highly critical for treating psoriasis, namely AKR1B10-Astilbin, AKR1B10-Ferulic acid, AKR1B10-Cianidanol, IL36G-Astilbin, MMP9-Ferulic acid, OASL-Astilbin, PPARG-Astilbin, SERPINB3-Astilbin, molecular dynamics simulations also indicate that these eight pairs of combinations are stable. This research brings a new perspective to the treatment of psoriasis, these characteristic genes and compounds deserve the attention of clinical researchers.
DOI: 10.6084/m9.figshare.25205054.v1
title: Identification of characteristic genes and herbal compounds for the treatment of psoriasis based on machine learning and molecular dynamics simulation

description: Psoriasis brings economic and mental burdens to patients, the exact etiology and pathogenesis of psoriasis are still unclear. Compounds of herbal medicine have the potential for psoriasis treatment. This study aims to explore the characteristic genes for psoriasis, which herbal compounds may target. Four differential gene expression datasets, with 181 healthy skin and 181 psoriasis skin lesion samples, were used for analysis. This study employed random forest, neural network, and support vector machine algorithms to identify the characteristic genes associated with psoriasis. The identified genes were validated using external datasets. Then, the main compounds were identified. The targets of compounds were collected through SwissTargetPrediction, Super-PRED, HERB databases, and so on. Finally, a batch virtual screening of compounds with the identified characteristic genes was conducted. Open Babel and AutoDock Tools 1.5.6 were used for molecular docking, and Desmond was used to evaluate molecular dynamics simulations. Twelve characteristic genes, successfully validated in external datasets genes, were identified from 1270 differential genes. The 59 compounds identified contained 1795 targets. There are 143 intersections between differential genes and compound targets. Two-hundred and ninety-four compound-target combinations were selected for molecular docking screening. It was finally found that 8 protein-ligand combinations are highly critical for treating psoriasis, namely AKR1B10-Astilbin, AKR1B10-Ferulic acid, AKR1B10-Cianidanol, IL36G-Astilbin, MMP9-Ferulic acid, OASL-Astilbin, PPARG-Astilbin, SERPINB3-Astilbin, molecular dynamics simulations also indicate that these eight pairs of combinations are stable. This research brings a new perspective to the treatment of psoriasis, these characteristic genes and compounds deserve the attention of clinical researchers.
DOI: 10.15468/dl.7brbag
title: Occurrence Download

description: A dataset containing 7161 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "TaxonKey is one of (Scaphiopus holbrookii (Harlan, 1835))"
 ]
}

 The dataset includes 7161 records from 49 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000059-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.x4nekn
title: Occurrence Download

description: A dataset containing 22 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Peponocephala electra (Gray, 1846)",
 "Geometry POLYGON((170 20, 170 50, 120 50, 120 20, 170 20))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 22 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000061-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.14865463
title: 20250213_spotter30121_nicotianae_capsici
DOI: 10.5281/zenodo.14865464
title: 20250213_spotter30121_nicotianae_capsici
DOI: 10.15468/dl.mjbptq
title: Occurrence Download

description: A dataset containing 1283 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "TaxonKey is one of (Scaphiopus hurterii Strecker, 1910)"
 ]
}

 The dataset includes 1283 records from 21 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000062-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.60893/figshare.apr.28259669
title: Supporting materials

description: Despite pivotal needs in magneto-optical and spintronic devices, the quest for high-temperature ferromagnetic insulators faces stubborn challenges. We report that a facile plasma-assisted hydrogenation technology enables consecutive topotactic transformations with distinct Fe-O polyhedra in BaFeO3-δ films, which exhibits desirable ferromagnetic insulating property with Tc above 400 K and a wide optical-range transparency. This work signifies the successful surmounting the inherent trade-off dilemma between ferromagnetism and electrical insulation, offering a new paradigm in exploration of multifunctional materials for magneto-optical and spintronic applications.
DOI: 10.15468/dl.4ebk3y
title: Occurrence Download

description: A dataset listing the 5459 species recorded in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((21.87116 47.4619,26.77944 47.4619,26.77944 50.62077,21.87116 50.62077,21.87116 47.4619))",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Tracheophyta"
 ]
}

 The dataset's 5459 records were derived from 181 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000052-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.c4rjvd
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Lagenorhynchus electra Gray, 1846",
 "Geometry POLYGON((170 20, 170 50, 120 50, 120 20, 170 20))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000064-250213122211068/datasets/export for details.
DOI: 10.15468/dl.henf7p
title: Occurrence Download

description: A dataset containing 3447 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "TaxonKey is one of (Siren intermedia Barnes, 1826)"
 ]
}

 The dataset includes 3447 records from 43 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000065-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.48597/jehq-nn5s
title: Measurement of VOC (volatile organic compounds) at Zürich-Kaserne

description: Measurement of VOC (volatile organic compounds) at Zürich-Kaserne
DOI: 10.48597/jwjt-rsxu
title: VOC (volatile organic compounds) at Zürich-Kaserne

description: Measurement of VOC (volatile organic compounds) at Zürich-Kaserne
DOI: 10.15468/dl.9xradn
title: Occurrence Download

description: A dataset containing 203 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "TaxonKey is one of (Siren intermedia intermedia)"
 ]
}

 The dataset includes 203 records from 11 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000069-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.60893/figshare.jcp.28300142.v1
title: Supplemental discussions and figures

description: discussions and figures
DOI: 10.60893/figshare.jcp.28300142
title: Supplemental discussions and figures

description: discussions and figures
DOI: 10.15468/dl.7jwfum
title: Occurrence Download

description: A dataset containing 19 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Centroscyllium ritteri Jordan & Fowler, 1903",
 "Geometry POLYGON((170 20, 170 50, 120 50, 120 20, 170 20))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 19 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000070-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.60893/figshare.jcp.28278851
title: Supplementary Material

description: .zip archive containing a PDF of all total energies used for the tables and figures in the manuscript as well as text files describing the Jastrow factors employed in xTC calculations.
DOI: 10.60893/figshare.jva.28303682
title: Supplement

description: Supplemental Experimental Data
DOI: 10.15468/dl.fgg8ze
title: Occurrence Download

description: A dataset containing 122 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "TaxonKey is Psychrolutes marcidus (McCulloch, 1926)"
 ]
}

 The dataset includes 122 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000072-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.5q9hqy
title: Occurrence Download

description: A dataset containing 11 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "Country is Colombia",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Euphorbia insulana Vell."
 ]
}

 The dataset includes 11 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000074-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.z8unkc
title: Occurrence Download

description: A dataset containing 2382343 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "PublishingOrg is 28eb1a3f-1c15-4a95-931a-4af90ecb574d",
 "TaxonKey is Squamata"
 ]
}

 The dataset includes 2382343 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000063-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zt5cy8
title: Occurrence Download

description: A dataset containing 93 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "TaxonKey is one of (Siren intermedia nettingi Goin, 1942)"
 ]
}

 The dataset includes 93 records from 14 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000073-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.dvjauk
title: Occurrence Download

description: A dataset containing 1307 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Engraulis japonicus Temminck & Schlegel, 1846",
 "Geometry POLYGON((170 20, 170 50, 120 50, 120 20, 170 20))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 1307 records from 39 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000075-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.fkebwk
title: Occurrence Download

description: A dataset containing 530295 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "PublishingOrg is 28eb1a3f-1c15-4a95-931a-4af90ecb574d",
 "TaxonKey is Testudines"
 ]
}

 The dataset includes 530295 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000066-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.cx6e2d
title: Occurrence Download

description: A dataset containing 1919194 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "PublishingOrg is 28eb1a3f-1c15-4a95-931a-4af90ecb574d",
 "TaxonKey is Arachnida"
 ]
}

 The dataset includes 1919194 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000067-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qmbep3
title: Occurrence Download

description: A dataset containing 1473 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "TaxonKey is one of (Siren lacertina Österdam, 1766)"
 ]
}

 The dataset includes 1473 records from 34 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000076-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vd2f8k
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Engraulis encrasicolus (Linnaeus, 1758)",
 "Geometry POLYGON((170 20, 170 50, 120 50, 120 20, 170 20))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000077-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.14865393
title: GNSS L1 Jammed Signal 20MHz Recording - Linear Wide Fast

description: These gzip files contain I-Q data dumps of Jammed GNSS signal with the following characteristics:GNSS Band: L1Sample frequency: 20 MHzJamming signal: Linear Wide FastJamming power: 85, 80, 75, 70, 65, 60, 55

This project has received funding from the European Union’s Horizon Europe Research and Innovation Programme under the Grant Agreement No. 101073909.
DOI: 10.5281/zenodo.14865394
title: GNSS L1 Jammed Signal 20MHz Recording - Linear Wide Fast

description: These gzip files contain I-Q data dumps of Jammed GNSS signal with the following characteristics:GNSS Band: L1Sample frequency: 20 MHzJamming signal: Linear Wide FastJamming power: 85, 80, 75, 70, 65, 60, 55

This project has received funding from the European Union’s Horizon Europe Research and Innovation Programme under the Grant Agreement No. 101073909.