cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc29dwf1
title: CCDC 2127543: Experimental Crystal Structure Determination

description: Related Article: Qi-Qi He, Shu-Li Yao, Teng-Fei Zheng, Hui Xu, Sui-Jun Liu, Jing-Lin Chen, Na Li, He-Rui Wen|2022|CrystEngComm|24|1041|doi:10.1039/D1CE01503F
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2f6kpx
title: CCDC 2240639: Experimental Crystal Structure Determination

description: Related Article: Xiaohao Yang, Hairu Ren, Shengbin Zhou, Chunpu Li, Chaoyi Liu, Yu Zhou, Guoxue He, Hong Liu|2023|Org.Lett.|25|3195|doi:10.1021/acs.orglett.3c00547
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2cbc47
title: CCDC 2184698: Experimental Crystal Structure Determination

description: Related Article: Marc Devillard, Chiara Dinoi, Iker Del Rosal, Clément Orione, Marie Cordier, Gilles Alcaraz|2023|Inorg.Chem.|62|7250|doi:10.1021/acs.inorgchem.3c00045
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2dmxml
title: CCDC 2223680: Experimental Crystal Structure Determination

description: Related Article: Samit Pramanik, Sumanta Jana, Kinsuk Das, Sudipta Pathak, Joaquin Ortega-Castro, Antonio Frontera, Subrata Mukhopadhyay|2023|Inorg.Chem.|62|7220|doi:10.1021/acs.inorgchem.2c04521
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fcm9r
title: CCDC 2245494: Experimental Crystal Structure Determination

description: Related Article: Haia Kharraz, Hadi Hachem, Yann Le Gal, Thierry Roisnel, Olivier Jeannin, Frédéric Barrière, Thierry Guizouarn, Dominique Lorcy|2023|CrystEngComm|25|2946|doi:10.1039/D3CE00257H
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fcmbs
title: CCDC 2245495: Experimental Crystal Structure Determination

description: Related Article: Haia Kharraz, Hadi Hachem, Yann Le Gal, Thierry Roisnel, Olivier Jeannin, Frédéric Barrière, Thierry Guizouarn, Dominique Lorcy|2023|CrystEngComm|25|2946|doi:10.1039/D3CE00257H
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fcmct
title: CCDC 2245496: Experimental Crystal Structure Determination

description: Related Article: Haia Kharraz, Hadi Hachem, Yann Le Gal, Thierry Roisnel, Olivier Jeannin, Frédéric Barrière, Thierry Guizouarn, Dominique Lorcy|2023|CrystEngComm|25|2946|doi:10.1039/D3CE00257H
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fcmdv
title: CCDC 2245497: Experimental Crystal Structure Determination

description: Related Article: Haia Kharraz, Hadi Hachem, Yann Le Gal, Thierry Roisnel, Olivier Jeannin, Frédéric Barrière, Thierry Guizouarn, Dominique Lorcy|2023|CrystEngComm|25|2946|doi:10.1039/D3CE00257H
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fcmfw
title: CCDC 2245498: Experimental Crystal Structure Determination

description: Related Article: Haia Kharraz, Hadi Hachem, Yann Le Gal, Thierry Roisnel, Olivier Jeannin, Frédéric Barrière, Thierry Guizouarn, Dominique Lorcy|2023|CrystEngComm|25|2946|doi:10.1039/D3CE00257H
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fcmgx
title: CCDC 2245499: Experimental Crystal Structure Determination

description: Related Article: Haia Kharraz, Hadi Hachem, Yann Le Gal, Thierry Roisnel, Olivier Jeannin, Frédéric Barrière, Thierry Guizouarn, Dominique Lorcy|2023|CrystEngComm|25|2946|doi:10.1039/D3CE00257H
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fcmhy
title: CCDC 2245500: Experimental Crystal Structure Determination

description: Related Article: Haia Kharraz, Hadi Hachem, Yann Le Gal, Thierry Roisnel, Olivier Jeannin, Frédéric Barrière, Thierry Guizouarn, Dominique Lorcy|2023|CrystEngComm|25|2946|doi:10.1039/D3CE00257H
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fcmjz
title: CCDC 2245501: Experimental Crystal Structure Determination

description: Related Article: Haia Kharraz, Hadi Hachem, Yann Le Gal, Thierry Roisnel, Olivier Jeannin, Frédéric Barrière, Thierry Guizouarn, Dominique Lorcy|2023|CrystEngComm|25|2946|doi:10.1039/D3CE00257H
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fcmk0
title: CCDC 2245502: Experimental Crystal Structure Determination

description: Related Article: Haia Kharraz, Hadi Hachem, Yann Le Gal, Thierry Roisnel, Olivier Jeannin, Frédéric Barrière, Thierry Guizouarn, Dominique Lorcy|2023|CrystEngComm|25|2946|doi:10.1039/D3CE00257H
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.6084/m9.figshare.23104396
title: DNA methylation and gene expression changes in mouse mammary tissue during successive lactations: part II – the impact of lactation rank

description: Mastitis is among the main reasons women cease breastfeeding. In farm animals, mastitis results in significant economic losses and the premature culling of some animals. Nevertheless, the effect of inflammation on the mammary gland is not completely understood. This article discusses the changes to DNA methylation in mouse mammary tissue caused by lipopolysaccharide-induced inflammation after in vivo intramammary challenges and the differences in DNA methylation between 1<sup>st</sup> and 2<sup>nd</sup> lactations. Lactation rank induces 981 differential methylations of cytosines (DMCs) in mammary tissue. Inflammation in 1<sup>st</sup> lactation compared to inflammation in 2<sup>nd</sup> lactation results in the identification of 964 DMCs. When comparing inflammation in 1<sup>st</sup> <i>vs</i>. 2<sup>nd</sup> lactations with previous inflammation history, 2590 DMCs were identified. Moreover, Fluidigm PCR data show changes in the expression of several genes related to mammary function, epigenetic regulation, and the immune response. We show that the epigenetic regulation of two successive physiological lactations is not the same in terms of DNA methylation and that the effect of lactation rank on DNA methylation is stronger than that of the onset of inflammation. The conditions presented here show that few DMCs are shared between comparisons, suggesting a specific epigenetic response depending on lactation rank, the presence of inflammation, and even whether the cells had previously suffered inflammation. In the long term, this information could lead to a better understanding of the epigenetic regulation of lactation in both physiological and pathological conditions. <b>Abbreviations:</b> RRBS, reduced representation bisulphite sequencing; RT-qPCR, real-time quantitative polymerase chain reaction; MEC, mammary epithelial cells; MaSC, mammary stem cell; TSS, transcription start site; TTS, transcription termination site; UTR, untranslated region; SINE, short interspersed nuclear element; LINE, long interspersed nuclear element; CGI, CpG island; DEG, differentially expressed gene; DMC, differentially methylated cytosine; DMR, differentially methylated region; GO term, gene ontology term; MF, molecular function; BP, biological process
DOI: 10.6084/m9.figshare.23104396.v1
title: DNA methylation and gene expression changes in mouse mammary tissue during successive lactations: part II – the impact of lactation rank

description: Mastitis is among the main reasons women cease breastfeeding. In farm animals, mastitis results in significant economic losses and the premature culling of some animals. Nevertheless, the effect of inflammation on the mammary gland is not completely understood. This article discusses the changes to DNA methylation in mouse mammary tissue caused by lipopolysaccharide-induced inflammation after in vivo intramammary challenges and the differences in DNA methylation between 1<sup>st</sup> and 2<sup>nd</sup> lactations. Lactation rank induces 981 differential methylations of cytosines (DMCs) in mammary tissue. Inflammation in 1<sup>st</sup> lactation compared to inflammation in 2<sup>nd</sup> lactation results in the identification of 964 DMCs. When comparing inflammation in 1<sup>st</sup> <i>vs</i>. 2<sup>nd</sup> lactations with previous inflammation history, 2590 DMCs were identified. Moreover, Fluidigm PCR data show changes in the expression of several genes related to mammary function, epigenetic regulation, and the immune response. We show that the epigenetic regulation of two successive physiological lactations is not the same in terms of DNA methylation and that the effect of lactation rank on DNA methylation is stronger than that of the onset of inflammation. The conditions presented here show that few DMCs are shared between comparisons, suggesting a specific epigenetic response depending on lactation rank, the presence of inflammation, and even whether the cells had previously suffered inflammation. In the long term, this information could lead to a better understanding of the epigenetic regulation of lactation in both physiological and pathological conditions. <b>Abbreviations:</b> RRBS, reduced representation bisulphite sequencing; RT-qPCR, real-time quantitative polymerase chain reaction; MEC, mammary epithelial cells; MaSC, mammary stem cell; TSS, transcription start site; TTS, transcription termination site; UTR, untranslated region; SINE, short interspersed nuclear element; LINE, long interspersed nuclear element; CGI, CpG island; DEG, differentially expressed gene; DMC, differentially methylated cytosine; DMR, differentially methylated region; GO term, gene ontology term; MF, molecular function; BP, biological process
DOI: 10.6084/m9.figshare.22798817
title: Social Networks and Reproductive Success in Male Semi?Free Ranging Japanese Macaques (<em>Macaca fuscata</em>)

description: Raw data pertaining to male Japanese macaque affiliative interactions
DOI: 10.6084/m9.figshare.22798817.v1
title: Social Networks and Reproductive Success in Male Semi?Free Ranging Japanese Macaques (<em>Macaca fuscata</em>)

description: Raw data pertaining to male Japanese macaque affiliative interactions
DOI: 10.6084/m9.figshare.23097938
title: Gene counts and metadata matrices for 11140 cells

description: Single-cell transcriptomic profiling of rheumatoid synovial fibroblasts (RASFs) cultures from LM vs FPI pathotypes in isolation and in co-culture with RA-B-cells. <br> Gene counts matrix = 36601 genes X 11140 cells Metadata of cells = Patient_ID, Sample_ID, Cell_ID, Cell_Type and Pathotype
DOI: 10.6084/m9.figshare.23097938.v1
title: Gene counts and metadata matrices for 11140 cells

description: Single-cell transcriptomic profiling of rheumatoid synovial fibroblasts (RASFs) cultures from LM vs FPI pathotypes in isolation and in co-culture with RA-B-cells. <br> Gene counts matrix = 36601 genes X 11140 cells Metadata of cells = Patient_ID, Sample_ID, Cell_ID, Cell_Type and Pathotype
DOI: 10.25625/ckjxtw
title: B11_woody species inventory

description: Inventory of woody species in EFForTS-BEE
DOI: 10.5523/bris.2nit8ium1cuwy2merjyyoe2r47
title: Investigating the impact of the COVID-19 pandemic on older adolescents' psychological wellbeing and self-identified cognitive difficulties

description: Abstract Background. The COVID‐19 pandemic coincides with growing concern regarding the mental health of young people. Older adolescents have faced a particular set of pandemic‐related challenges and demonstrate heightened vulnerability to affective disorders (particularly anxiety). Anxiety symptoms are associated with a range of cognitive difficulties. Older adolescents may therefore be susceptible to pandemic‐related declines in wellbeing and associated cognitive difficulties. Methods. At three timepoints, independent samples of young people aged 16–18 years (N = 607, 242, 618 respectively) completed an online survey. Data collection coincided with periods of lockdown (timepoints 1 and 3) and young people returning to school (timepoint 2). The survey assessed subjective impacts of the pandemic on overall wellbeing, anxiety and cognitive function. Results. Findings demonstrated the detrimental impact of the COVID‐19 pandemic on older adolescents' psychological wellbeing—a finding that was consistent across samples. The majority of young people at each timepoint experienced heightened anxiety. Crucially, pandemic‐related anxiety was associated with self‐identified cognitive difficulties, a pattern of association that was evident at all three timepoints. The nature and extent of these difficulties were predictive of specific pandemic‐related concerns in this age group. Conclusions. Older adolescents' experiences of the pandemic are characterised by subjective declines in wellbeing and stable patterns of association between anxiety and self‐identified cognitive difficulties. Implications are discussed with reference to future research and intervention.
DOI: 10.5281/zenodo.7963349
title: Dataset for the paper "Deblending and Purification of Hydrogen from Natural Gas Mixtures using the Electrochemical Hydrogen Pump", International Journal of Hydrogen Energy, doi.org/10.1016/j.ijhydene.2023.05.065

description: The data in this spreadsheet was used to produce the figures in the paper Authors:C Jackson, GT Smith, ARJ Kucernak Title:Deblending and Purification of Hydrogen from Natural Gas Mixtures using the Electrochemical Hydrogen Pump Journal:International Journal of Hydrogen Energy DOI:https://doi.org/10.1016/j.ijhydene.2023.05.065 Please cite the above reference if you wish to use this data DOI of data:10.5281/zenodo.7963348
DOI: 10.5281/zenodo.7963348
title: Dataset for the paper "Deblending and Purification of Hydrogen from Natural Gas Mixtures using the Electrochemical Hydrogen Pump", International Journal of Hydrogen Energy, doi.org/10.1016/j.ijhydene.2023.05.065

description: The data in this spreadsheet was used to produce the figures in the paper Authors:C Jackson, GT Smith, ARJ Kucernak Title:Deblending and Purification of Hydrogen from Natural Gas Mixtures using the Electrochemical Hydrogen Pump Journal:International Journal of Hydrogen Energy DOI:https://doi.org/10.1016/j.ijhydene.2023.05.065 Please cite the above reference if you wish to use this data DOI of data:10.5281/zenodo.7963348
DOI: 10.25345/c5280584g
title: MassIVE MSV000092014 - Spatial proteomics at cellular and subcellular resolution by coupling deep ultraviolet laser ablation with nanodroplet sample preparation
title: Spatial proteomics can provide an in-depth molecular-level interpretation of cellular functions in both physiological and pathological environments. Despite great potential, spatial proteomics is challenged by not only limited proteome coverage but also poor spatial resolution and low throughput. We have previously developed a spatial proteomics platform by integrating nanodroplet sample preparation with laser capture microdissection, and deployed it to robustly profile 500-2000 proteins from microdissected tissue samples as small as 50 um (~8 cells). Herein, we push the spatial resolution to subcellular scale (~7 um) by developing an image-guided deep UV ablation system. This novel spatial proteomics platform allowed us to globally profile organelles inside single cells.
DOI: 10.15139/s3/w5olrb
title: Malaria Routine Data Quality Assessment (MRDQA) tool results, Round 2, Cameroon

description: Data collected from the second assessment (round 2) of the Malaria Routine Data Quality Assessment (MRDQA) Tool in Cameroon.
DOI: 10.5281/zenodo.7565788
title: Nanoscale Simulation of the Thylakoid Membrane Response to Extreme Temperatures

description: The thylakoid membrane is in a temperature-sensitive equilibrium that shifts repeatedly during the life cycle in response to ambient temperature or solar irradiance.<br> Plants respond to seasonal temperature by changing their thylakoid lipid composition, while a more rapid mechanism for short-term heat exposure is required.<br> The emission of the small organic molecule isoprene has been postulated as one such possible rapid mechanism.<br> The protective mechanism of isoprene is not known, but some plants emit isoprene during periods of high-temperature stress.<br> In this work, we investigate the dynamics and structure for lipids within a thylakoid membrane at different temperatures and varied isoprene content using classical molecular dynamics simulations.<br> The results are compared with experimental findings from across the literature for temperature-dependent changes in the lipid composition and shape of thylakoids.<br> We find that the surface area, volume, and flexibility of the membrane, as well as the lipid diffusion, increase with temperature, while the membrane thickness decreases.<br> Saturated thylakoid 34:3 glycolipids derived from eukaryotic synthesis pathways exhibit significantly different dynamics than lipids from prokaryotic synthesis paths, which could explain the upregulation of specific lipid synthesis pathways at different temperatures.<br> Increasing isoprene concentration was not observed to have a significant thermoprotective effect on the thylakoid membranes.
DOI: 10.5281/zenodo.7565789
title: Nanoscale Simulation of the Thylakoid Membrane Response to Extreme Temperatures

description: The thylakoid membrane is in a temperature-sensitive equilibrium that shifts repeatedly during the life cycle in response to ambient temperature or solar irradiance.<br> Plants respond to seasonal temperature by changing their thylakoid lipid composition, while a more rapid mechanism for short-term heat exposure is required.<br> The emission of the small organic molecule isoprene has been postulated as one such possible rapid mechanism.<br> The protective mechanism of isoprene is not known, but some plants emit isoprene during periods of high-temperature stress.<br> In this work, we investigate the dynamics and structure for lipids within a thylakoid membrane at different temperatures and varied isoprene content using classical molecular dynamics simulations.<br> The results are compared with experimental findings from across the literature for temperature-dependent changes in the lipid composition and shape of thylakoids.<br> We find that the surface area, volume, and flexibility of the membrane, as well as the lipid diffusion, increase with temperature, while the membrane thickness decreases.<br> Saturated thylakoid 34:3 glycolipids derived from eukaryotic synthesis pathways exhibit significantly different dynamics than lipids from prokaryotic synthesis paths, which could explain the upregulation of specific lipid synthesis pathways at different temperatures.<br> Increasing isoprene concentration was not observed to have a significant thermoprotective effect on the thylakoid membranes.
DOI: 10.5281/zenodo.7963332
title: Sample images in .nd format - FIJI vs bfmatlab metadata

description: Two sets of images acquired on a VTiSIM microscope (VisiTech). Each set contains an .nd header file and 4 accompanying .TIF files (DAPI, GFP, RFP and BF). DAPI, GFP and RFP .TIFs are z-stacks, BF is a single plane. Bio-Formats import through FIJI correctly collects the metadata. Bio-Formats import through MATLAB (bfmatlab package -bfopen()) incorrectly returns empty values for some metadata (e.g. Pixel Physical Size in Z).
DOI: 10.5281/zenodo.7963331
title: Sample images in .nd format - FIJI vs bfmatlab metadata

description: Two sets of images acquired on a VTiSIM microscope (VisiTech). Each set contains an .nd header file and 4 accompanying .TIF files (DAPI, GFP, RFP and BF). DAPI, GFP and RFP .TIFs are z-stacks, BF is a single plane. Bio-Formats import through FIJI correctly collects the metadata. Bio-Formats import through MATLAB (bfmatlab package -bfopen()) incorrectly returns empty values for some metadata (e.g. Pixel Physical Size in Z).