cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.24190659.v1
title: Exploration of anti-tumour inhibitors from colchicine derivatives based on 3D-QSAR, molecular docking and molecular dynamics simulations

description: Microtubulin is an important research target for anti-tumour drugs, which can be used to inhibit microtubulin polymerisation and improve the efficacy of tumour therapy. In this paper, 61 microtubule protein inhibitors with anticancer activity are selected as the data set for building a stable and effective QSAR (Topomer CoMFA) model, resulting in a Topomer CoMFA model with validation coefficients of q2 = 0.737 and r2<sub> </sub>= 0.922. Fifteen new inhibitors with theoretically high activity are designed by screening the zinc database for new fragments with good activity through the contribution descriptors obtained by Topomer CoMFA. After simulating the binding affinity and interaction of the inhibitors with the proteins by molecular docking, all these compounds formed strong interactions such as hydrogen bonds with multiple amino acids in the receptor proteins. Furthermore, molecular dynamics results show that the predicted highly active compounds exhibited stable and favourable binding patterns to the active pocket. In addition, these new compounds exhibit good ADMET properties. The present work establishes a reliable QSAR model for computational simulation screening of microtubulin drug development and provides a basis for further access to novel microtubulin inhibitors.
DOI: 10.6084/m9.figshare.7937861
title: RETRACTED ARTICLE: A novel Fas-binding outer membrane protein and lipopolysaccharide of <i>Leptospira interrogans</i> induce macrophage apoptosis through the Fas/FasL-caspase-8/-3 pathway

description: <i>Leptospira interrogans</i> is the major causative agent of leptospirosis, an emerging, globally spreading zoonotic infectious disease. The pathogen induces macrophage apoptosis, but the molecular basis and mechanism remain unknown. In the present study, we found that <i>L. interrogans</i> caused apoptosis of phagocytosis-inhibited macrophages, and the product of the <i>L. interrogans</i> LB047 gene (Lep-OMP047) was the unique protein captured by mouse and human Fas proteins. The recombinant expressed Lep-OMP047 (rLep-OMP047) strongly bound mouse and human Fas proteins with equilibrium association constant (<i>K</i><sub>D</sub>) values of 5.20 × 10<sup>−6</sup> to 2.84 × 10<sup>−9</sup> M according to surface plasmon resonance measurement and isothermal titration calorimetry. Flow-cytometric examination showed that 5 μg rLep-OMP047 or 1 μg lipopolysaccharide of <i>L. interrogans</i> (Lep-LPS) caused 43.70% or 21.90% early apoptosis in mouse J774A.1 macrophages and 28.41% or 15.80% for PMA-differentiated human THP-1 macrophages, respectively, but the apoptosis was blocked by Fas-antagonizing IgGs, Fas siRNAs, and caspase-8/-3 inhibitors. Moreover, Lep-OMP047 was significantly upregulated during infection of macrophages. Lep-LPS promoted the expression and cytomembrane translocation of Fas and FasL in macrophages. The JNK and p38 MAPK but not ERK signaling pathways, as well as the transcription factors c-Jun and ATF2 but not CHOP, mediated Lep-LPS-induced Fas/FasL expression and translocation. TLR2 but not TLR4 mediated Lep-LPS-induced JNK/p38 MAPK activation. Therefore, we demonstrated that a novel Fas-binding OMP and LPS of <i>L. interrogans</i> induce macrophage apoptosis through the Fas/FasL-caspase-8/-3 pathway.
DOI: 10.6084/m9.figshare.7937861.v1
title: A novel Fas-binding outer membrane protein and lipopolysaccharide of <i>Leptospira interrogans</i> induce macrophage apoptosis through the Fas/FasL-caspase-8/-3 pathway

description: <i>Leptospira interrogans</i> is the major causative agent of leptospirosis, an emerging, globally spreading zoonotic infectious disease. The pathogen induces macrophage apoptosis, but the molecular basis and mechanism remain unknown. In the present study, we found that <i>L. interrogans</i> caused apoptosis of phagocytosis-inhibited macrophages, and the product of the <i>L. interrogans</i> LB047 gene (Lep-OMP047) was the unique protein captured by mouse and human Fas proteins. The recombinant expressed Lep-OMP047 (rLep-OMP047) strongly bound mouse and human Fas proteins with equilibrium association constant (<i>K</i><sub>D</sub>) values of 5.20 × 10<sup>−6</sup> to 2.84 × 10<sup>−9</sup> M according to surface plasmon resonance measurement and isothermal titration calorimetry. Flow-cytometric examination showed that 5 μg rLep-OMP047 or 1 μg lipopolysaccharide of <i>L. interrogans</i> (Lep-LPS) caused 43.70% or 21.90% early apoptosis in mouse J774A.1 macrophages and 28.41% or 15.80% for PMA-differentiated human THP-1 macrophages, respectively, but the apoptosis was blocked by Fas-antagonizing IgGs, Fas siRNAs, and caspase-8/-3 inhibitors. Moreover, Lep-OMP047 was significantly upregulated during infection of macrophages. Lep-LPS promoted the expression and cytomembrane translocation of Fas and FasL in macrophages. The JNK and p38 MAPK but not ERK signaling pathways, as well as the transcription factors c-Jun and ATF2 but not CHOP, mediated Lep-LPS-induced Fas/FasL expression and translocation. TLR2 but not TLR4 mediated Lep-LPS-induced JNK/p38 MAPK activation. Therefore, we demonstrated that a novel Fas-binding OMP and LPS of <i>L. interrogans</i> induce macrophage apoptosis through the Fas/FasL-caspase-8/-3 pathway.
DOI: 10.6084/m9.figshare.7937861.v2
title: A novel Fas-binding outer membrane protein and lipopolysaccharide of <i>Leptospira interrogans</i> induce macrophage apoptosis through the Fas/FasL-caspase-8/-3 pathway

description: <i>Leptospira interrogans</i> is the major causative agent of leptospirosis, an emerging, globally spreading zoonotic infectious disease. The pathogen induces macrophage apoptosis, but the molecular basis and mechanism remain unknown. In the present study, we found that <i>L. interrogans</i> caused apoptosis of phagocytosis-inhibited macrophages, and the product of the <i>L. interrogans</i> LB047 gene (Lep-OMP047) was the unique protein captured by mouse and human Fas proteins. The recombinant expressed Lep-OMP047 (rLep-OMP047) strongly bound mouse and human Fas proteins with equilibrium association constant (<i>K</i><sub>D</sub>) values of 5.20 × 10<sup>−6</sup> to 2.84 × 10<sup>−9</sup> M according to surface plasmon resonance measurement and isothermal titration calorimetry. Flow-cytometric examination showed that 5 μg rLep-OMP047 or 1 μg lipopolysaccharide of <i>L. interrogans</i> (Lep-LPS) caused 43.70% or 21.90% early apoptosis in mouse J774A.1 macrophages and 28.41% or 15.80% for PMA-differentiated human THP-1 macrophages, respectively, but the apoptosis was blocked by Fas-antagonizing IgGs, Fas siRNAs, and caspase-8/-3 inhibitors. Moreover, Lep-OMP047 was significantly upregulated during infection of macrophages. Lep-LPS promoted the expression and cytomembrane translocation of Fas and FasL in macrophages. The JNK and p38 MAPK but not ERK signaling pathways, as well as the transcription factors c-Jun and ATF2 but not CHOP, mediated Lep-LPS-induced Fas/FasL expression and translocation. TLR2 but not TLR4 mediated Lep-LPS-induced JNK/p38 MAPK activation. Therefore, we demonstrated that a novel Fas-binding OMP and LPS of <i>L. interrogans</i> induce macrophage apoptosis through the Fas/FasL-caspase-8/-3 pathway.
DOI: 10.5281/zenodo.10633515
title: Temporal variation in counterclockwise vertical-axis block rotations across a rift overlap zone, southwestern Ethiopia, East Africa

description: Supporting information accompanying the paper entitled " Temporal variation in counterclockwise vertical-axis block rotations across a rift overlap zone, southwestern Ethiopia, East Africa" submitted to Geochemistry, Geophysics, Geosystems. The dataset contains 40Ar/39Ar dating step-heating experiment results and age-spectrum patterns for each analyzed sample and representative thermomagnetic experiment results. 

Supplementary information (S1): Results of an incremental step-heating experiment for the analyzed samples. A groundmass of ~100 mg with grain sizes ranging between 250 and 500 mm was prepared from 11 representative samples. For each of the analyzed samples,  ~20 mg of each sample was  irradiated at the Oregon State TRIGA reactor, U.S.A., followed by isotopic measurements at the University of Potsdam
DOI: 10.5281/zenodo.10633516
title: Temporal variation in counterclockwise vertical-axis block rotations across a rift overlap zone, southwestern Ethiopia, East Africa

description: Supporting information accompanying the paper entitled " Temporal variation in counterclockwise vertical-axis block rotations across a rift overlap zone, southwestern Ethiopia, East Africa" submitted to Geochemistry, Geophysics, Geosystems. The dataset contains 40Ar/39Ar dating step-heating experiment results and age-spectrum patterns for each analyzed sample and representative thermomagnetic experiment results. 

Supplementary information (S1): Results of an incremental step-heating experiment for the analyzed samples. A groundmass of ~100 mg with grain sizes ranging between 250 and 500 mm was prepared from 11 representative samples. For each of the analyzed samples,  ~20 mg of each sample was  irradiated at the Oregon State TRIGA reactor, U.S.A., followed by isotopic measurements at the University of Potsdam
DOI: 10.6084/m9.figshare.22616956.v1
title: Additional file 1 of Multiple variation patterns of terpene synthases in 26 maize genomes

description: Additional file 1: Fig. S1. The ratio of SV to typical and atypical genes overlap. Fig. S2. Scatter plot of ZmTPS gene number and total expressed dose correlation analysis. Fig. S3. The differentially expressed ZmTPS genes in other studies. Table S1. The ZmTPS names and their corresponding gene names in multiple maize genomes. Table S2. The atypical ZmTPS genes in maize genomes.
DOI: 10.6084/m9.figshare.22616956
title: Additional file 1 of Multiple variation patterns of terpene synthases in 26 maize genomes

description: Additional file 1: Fig. S1. The ratio of SV to typical and atypical genes overlap. Fig. S2. Scatter plot of ZmTPS gene number and total expressed dose correlation analysis. Fig. S3. The differentially expressed ZmTPS genes in other studies. Table S1. The ZmTPS names and their corresponding gene names in multiple maize genomes. Table S2. The atypical ZmTPS genes in maize genomes.
DOI: 10.6084/m9.figshare.10035119
title: of Refinement of primate copy number variationhotspots identifies candidate genomic regions evolving under positive selection

description: of Refinement of primate copy number variationhotspots identifies candidate genomic regions evolving under positive selection
DOI: 10.6084/m9.figshare.10035119.v1
title: of Refinement of primate copy number variationhotspots identifies candidate genomic regions evolving under positive selection

description: of Refinement of primate copy number variationhotspots identifies candidate genomic regions evolving under positive selection
DOI: 10.6084/m9.figshare.10035143
title: MOESM1 of Refinement of primate copy number variationhotspots identifies candidate genomic regions evolving under positive selection

description: Additional file 1: Supporting tables. The tables of the CNVs considered in the study and summaries of additional analyses. (XLS 4 MB)
DOI: 10.6084/m9.figshare.10035143.v1
title: MOESM1 of Refinement of primate copy number variationhotspots identifies candidate genomic regions evolving under positive selection

description: Additional file 1: Supporting tables. The tables of the CNVs considered in the study and summaries of additional analyses. (XLS 4 MB)
DOI: 10.6084/m9.figshare.22617001
title: Additional file 2 of Pervasiveness of HLA allele-specific expression loss across tumor types

description: Additional file 2. Additional tables from the results of the association between HLA-I ASE loss and microsatellite instability, nonsense and missense mutations. Table S1. TCGA case numbers broken down by microsatellite instability and HLA-I ASE loss status. Table S2. Association between HLA-I ASE loss and nonsense mutations (a), HLA-I missense mutations (b), contact residue nonsense mutations in HLA-I genes (c) and nonsense/missense B2M mutations (d).
DOI: 10.6084/m9.figshare.12655597.v1
title: Additional file 14 of H3K27ac acetylome signatures reveal the epigenomic reorganization in remodeled non-failing human hearts

description: Additional file 14. Supplementary Table 8. The chromatin acetylation changes and the mRNA expression changes of key regulators and targets in the Hippo pathway.
DOI: 10.7925/drs1.duchas_5108644
title: Cures

description: Story collected by Lizzie Coyne, a student at Castlejordan school (Castlejordan, Co. Meath) from informant Mrs Lynam.
description: Collected as part of the Schools' Folklore scheme, 1937-1938, under the supervision of teacher M. Nic Amhlaoidh.
description: Supported by funding from the Department of Arts, Heritage and the Gaeltacht (Ireland), University College Dublin, and the National Folklore Foundation (Fondúireacht Bhéaloideas Éireann), 2014-2016.
DOI: 10.7925/drs1.duchas_5121451
title: Walking Gallows - The 1798 Period in Milltown Parish

description: Story collected by a student at Milltown school (Milltown, Co. Westmeath) (no informant identified).
description: Collected as part of the Schools' Folklore scheme, 1937-1938, under the supervision of teacher Sean O'Casey.
description: Supported by funding from the Department of Arts, Heritage and the Gaeltacht (Ireland), University College Dublin, and the National Folklore Foundation (Fondúireacht Bhéaloideas Éireann), 2014-2016.
DOI: 10.7925/drs1.duchas_5131297
title: Story

description: Story collected by Maisie Whitty, a student at Raheen school (Raheen, Co. Wexford) from informant Mrs Mary Whitty.
description: Collected as part of the Schools' Folklore scheme, 1937-1938, under the supervision of teacher Thomas Mahon.
description: Supported by funding from the Department of Arts, Heritage and the Gaeltacht (Ireland), University College Dublin, and the National Folklore Foundation (Fondúireacht Bhéaloideas Éireann), 2014-2016.
DOI: 10.7925/drs1.duchas_4813971
title: Weather-Lore

description: Story collected by Jennie Mayclim, a student at Tyholland school (Tuckmilltate, Co. Monaghan) (no informant identified).
description: Collected as part of the Schools' Folklore scheme, 1937-1938, under the supervision of teacher Deborah Freeman.
description: Supported by funding from the Department of Arts, Heritage and the Gaeltacht (Ireland), University College Dublin, and the National Folklore Foundation (Fondúireacht Bhéaloideas Éireann), 2014-2016.
DOI: 10.7925/drs1.duchas_5108645
title: Proverbs

description: Story collected by Kevin Keegan, a student at Killyon school (Killyon, Co. Meath) from informant Michael Keegan.
description: Collected as part of the Schools' Folklore scheme, 1937-1938, under the supervision of teacher Brighid, Bean Uí Fithcheallaigh.
description: Supported by funding from the Department of Arts, Heritage and the Gaeltacht (Ireland), University College Dublin, and the National Folklore Foundation (Fondúireacht Bhéaloideas Éireann), 2014-2016.
DOI: 10.7925/drs1.duchas_5121452
title: Old Houses

description: Story collected by Bertie Anderson, a student at Streete school (Street, Co. Westmeath) (no informant identified).
description: Collected as part of the Schools' Folklore scheme, 1937-1938, under the supervision of teacher Áine Finnegan.
description: Supported by funding from the Department of Arts, Heritage and the Gaeltacht (Ireland), University College Dublin, and the National Folklore Foundation (Fondúireacht Bhéaloideas Éireann), 2014-2016.
DOI: 10.7925/drs1.duchas_4813978
title: Composition on Cures

description: Story collected by Eibhlín Ní Dhiarmada, a student at Druim Muc school (Corderrybane, Co. Monaghan) from informant Mr M. Reilly.
description: Collected as part of the Schools' Folklore scheme, 1937-1938, under the supervision of teacher M. Ní Chuinneagáin.
description: Supported by funding from the Department of Arts, Heritage and the Gaeltacht (Ireland), University College Dublin, and the National Folklore Foundation (Fondúireacht Bhéaloideas Éireann), 2014-2016.
DOI: 10.7925/drs1.duchas_5131300
title: Ghosts and Goblins

description: Story collected by a student at Raheen school (Raheen, Co. Wexford) (no informant identified).
description: Collected as part of the Schools' Folklore scheme, 1937-1938, under the supervision of teacher Thomas Mahon.
description: Supported by funding from the Department of Arts, Heritage and the Gaeltacht (Ireland), University College Dublin, and the National Folklore Foundation (Fondúireacht Bhéaloideas Éireann), 2014-2016.
DOI: 10.7925/drs1.duchas_5108646
title: Old Houses

description: Story collected by Noel O' Brien, a student at Kilmessan (B.) school (Kilmessan, Co. Meath) from informant Patrick Boyle.
description: Collected as part of the Schools' Folklore scheme, 1937-1938, under the supervision of teacher Brian S. Pléimeann.
description: Supported by funding from the Department of Arts, Heritage and the Gaeltacht (Ireland), University College Dublin, and the National Folklore Foundation (Fondúireacht Bhéaloideas Éireann), 2014-2016.
DOI: 10.7925/drs1.duchas_5121454
title: Local Marriage Customs

description: Story collected by Esther Leonard, a student at Rathowen (B) school (Rathowen, Co. Westmeath) from informant Thomas Murray.
description: Collected as part of the Schools' Folklore scheme, 1937-1938, under the supervision of teacher T. Mc Garry.
description: Supported by funding from the Department of Arts, Heritage and the Gaeltacht (Ireland), University College Dublin, and the National Folklore Foundation (Fondúireacht Bhéaloideas Éireann), 2014-2016.
DOI: 10.7925/drs1.duchas_5131301
title: Place Names in Wexford Town and Their Origin

description: Story collected by Nora Boyce, a student at Wexford (4) school (Wexford, Co. Wexford) from informant Mrs Mac Cormack.
description: Collected as part of the Schools' Folklore scheme, 1937-1938, under the supervision of teacher Victoria M. Sherwood.
description: Supported by funding from the Department of Arts, Heritage and the Gaeltacht (Ireland), University College Dublin, and the National Folklore Foundation (Fondúireacht Bhéaloideas Éireann), 2014-2016.
DOI: 10.7925/drs1.duchas_5108647
title: Dead Coach

description: Story collected by Kathleen Waters, a student at Mercy Convent, Trim school (Trim, Co. Meath) from informant M. Gilsenan.
description: Collected as part of the Schools' Folklore scheme, 1937-1938, under the supervision of teacher Sr. Berchmans.
description: Supported by funding from the Department of Arts, Heritage and the Gaeltacht (Ireland), University College Dublin, and the National Folklore Foundation (Fondúireacht Bhéaloideas Éireann), 2014-2016.
DOI: 10.7925/drs1.duchas_4813983
title: Bird-Lore

description: Story collected by Jennie Mayclim, a student at Tyholland school (Tuckmilltate, Co. Monaghan) from 2 informants.
description: Collected as part of the Schools' Folklore scheme, 1937-1938, under the supervision of teacher Deborah Freeman.
description: Supported by funding from the Department of Arts, Heritage and the Gaeltacht (Ireland), University College Dublin, and the National Folklore Foundation (Fondúireacht Bhéaloideas Éireann), 2014-2016.
DOI: 10.7925/drs1.duchas_5121455
title: Landlords

description: Story collected by Bertie Anderson, a student at Streete school (Street, Co. Westmeath) (no informant identified).
description: Collected as part of the Schools' Folklore scheme, 1937-1938, under the supervision of teacher Áine Finnegan.
description: Supported by funding from the Department of Arts, Heritage and the Gaeltacht (Ireland), University College Dublin, and the National Folklore Foundation (Fondúireacht Bhéaloideas Éireann), 2014-2016.
DOI: 10.7925/drs1.duchas_5131302
title: Saint Martin's Day

description: Story collected by a student at Caroreigh school (Carrowreagh, Co. Wexford) from informant Mrs O' Leary.
description: Collected as part of the Schools' Folklore scheme, 1937-1938, under the supervision of teacher Séamas Ó Cellaigh.
description: Supported by funding from the Department of Arts, Heritage and the Gaeltacht (Ireland), University College Dublin, and the National Folklore Foundation (Fondúireacht Bhéaloideas Éireann), 2014-2016.
DOI: 10.7925/drs1.duchas_4813985
title: Composition - An Old Fairy Story

description: Story collected by Pól Ó Carrathar, a student at Druim Muc school (Corderrybane, Co. Monaghan) from informant Miss M. Mc Ginnity.
description: Collected as part of the Schools' Folklore scheme, 1937-1938, under the supervision of teacher M. Ní Chuinneagáin.
description: Supported by funding from the Department of Arts, Heritage and the Gaeltacht (Ireland), University College Dublin, and the National Folklore Foundation (Fondúireacht Bhéaloideas Éireann), 2014-2016.
DOI: 10.7925/drs1.duchas_5108648
title: Old Houses

description: Story collected by Noel O' Brien, a student at Kilmessan (B.) school (Kilmessan, Co. Meath) from informant Patrick Boyle.
description: Collected as part of the Schools' Folklore scheme, 1937-1938, under the supervision of teacher Brian S. Pléimeann.
description: Supported by funding from the Department of Arts, Heritage and the Gaeltacht (Ireland), University College Dublin, and the National Folklore Foundation (Fondúireacht Bhéaloideas Éireann), 2014-2016.
DOI: 10.7925/drs1.duchas_4813988
title: Homemade Toys

description: Story collected by Jennie Mayclim, a student at Tyholland school (Tuckmilltate, Co. Monaghan) from 2 informants.
description: Collected as part of the Schools' Folklore scheme, 1937-1938, under the supervision of teacher Deborah Freeman.
description: Supported by funding from the Department of Arts, Heritage and the Gaeltacht (Ireland), University College Dublin, and the National Folklore Foundation (Fondúireacht Bhéaloideas Éireann), 2014-2016.
DOI: 10.7925/drs1.duchas_5121456
title: Fighting James Maloney of Rathconrath

description: Story collected by a student at Milltown school (Milltown, Co. Westmeath) (no informant identified).
description: Collected as part of the Schools' Folklore scheme, 1937-1938, under the supervision of teacher Sean O'Casey.
description: Supported by funding from the Department of Arts, Heritage and the Gaeltacht (Ireland), University College Dublin, and the National Folklore Foundation (Fondúireacht Bhéaloideas Éireann), 2014-2016.
DOI: 10.7925/drs1.duchas_5108650
title: Old Houses

description: Story collected by Martin Keary, a student at Kilmessan (B.) school (Kilmessan, Co. Meath) from informant Mrs Keary.
description: Collected as part of the Schools' Folklore scheme, 1937-1938, under the supervision of teacher Brian S. Pléimeann.
description: Supported by funding from the Department of Arts, Heritage and the Gaeltacht (Ireland), University College Dublin, and the National Folklore Foundation (Fondúireacht Bhéaloideas Éireann), 2014-2016.
DOI: 10.7925/drs1.duchas_5131303
title: Spa Well

description: Story collected by Frankie Scarr, a student at Wexford (4) school (Wexford, Co. Wexford) (no informant identified).
description: Collected as part of the Schools' Folklore scheme, 1937-1938, under the supervision of teacher Victoria M. Sherwood.
description: Supported by funding from the Department of Arts, Heritage and the Gaeltacht (Ireland), University College Dublin, and the National Folklore Foundation (Fondúireacht Bhéaloideas Éireann), 2014-2016.
DOI: 10.7925/drs1.duchas_5121457
title: Our Home District

description: Story collected by Sadie Anderson, a student at Streete school (Street, Co. Westmeath) (no informant identified).
description: Collected as part of the Schools' Folklore scheme, 1937-1938, under the supervision of teacher Áine Finnegan.
description: Supported by funding from the Department of Arts, Heritage and the Gaeltacht (Ireland), University College Dublin, and the National Folklore Foundation (Fondúireacht Bhéaloideas Éireann), 2014-2016.