cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccxc82l
title: CCDC 844969: Experimental Crystal Structure Determination

description: Related Article: S.V.Fokin, V.I.Ovcharenko, G.V.Romanenko, E.V.Tret'yakov, A.S.Bogomyakov, L.V.Saloutina, T.I.Filyakova, V.I.Saloutin, V.N.Carushin, O.N.Chupakhin|2011|Izv.Akad.Nauk SSSR,Ser.Khim.||798|
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/ccxc83m
title: CCDC 844970: Experimental Crystal Structure Determination

description: Related Article: E.Yu.Fursova, O.V.Kuznetsova, E.V.Tret'yakov, G.V.Romanenko, A.S.Bogomyakov, V.I.Ovcharenko, R.Z.Sagdeev, V.K.Cherkasov, M.P.Bubnov, G.A.Abakumov|2011|Izv.Akad.Nauk SSSR,Ser.Khim.||791|
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/ccxc84n
title: CCDC 844971: Experimental Crystal Structure Determination

description: Related Article: E.Yu.Fursova, O.V.Kuznetsova, E.V.Tret'yakov, G.V.Romanenko, A.S.Bogomyakov, V.I.Ovcharenko, R.Z.Sagdeev, V.K.Cherkasov, M.P.Bubnov, G.A.Abakumov|2011|Izv.Akad.Nauk SSSR,Ser.Khim.||791|
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: 10.5281/zenodo.8252154
title: All input files for quantum calculations in VASP

description: Here, all input files for quantum calculations in VASP have been uploaded. All the structure files extracted from MD simulations are in POSCAR format.
DOI: 10.5281/zenodo.8252153
title: All input files for quantum calculations in VASP

description: Here, all input files for quantum calculations in VASP have been uploaded. All the structure files extracted from MD simulations are in POSCAR format.
DOI: 10.5517/ccdc.csd.cc1krb4s
title: CCDC 1452385: Experimental Crystal Structure Determination

description: Related Article: Rafael A. Allão Cassaro, Jonathan R. Friedman, Paul M. Lahti|2016|Polyhedron|117|7|doi:10.1016/j.poly.2016.05.028
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.cc1pfrrm
title: CCDC 1562361: Experimental Crystal Structure Determination

description: Related Article: Shuai-Liang Yang, Rui-Rui Wang, Xiao-Jiao Jin, Chen-Xi Zhang, Qing-Lun Wang|2018|Polyhedron|144|101|doi:10.1016/j.poly.2017.12.030
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.cc26mp7s
title: CCDC 2044705: Experimental Crystal Structure Determination

description: Related Article: Sergiu Calancea, Luca Carrella, Teodora Mocanu, Vladimir Sadohin, Mihai Raduca, Iacob Gutu, Julio C. Rocha, Maria G. F. Vaz, Eva Rentschler, Marius Andruh|2021|Eur.J.Inorg.Chem.|2021|567|doi:10.1002/ejic.202000954
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.cc26mp8t
title: CCDC 2044706: Experimental Crystal Structure Determination

description: Related Article: Sergiu Calancea, Luca Carrella, Teodora Mocanu, Vladimir Sadohin, Mihai Raduca, Iacob Gutu, Julio C. Rocha, Maria G. F. Vaz, Eva Rentschler, Marius Andruh|2021|Eur.J.Inorg.Chem.|2021|567|doi:10.1002/ejic.202000954
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.cc1pfrsn
title: CCDC 1562362: Experimental Crystal Structure Determination

description: Related Article: Shuai-Liang Yang, Rui-Rui Wang, Xiao-Jiao Jin, Chen-Xi Zhang, Qing-Lun Wang|2018|Polyhedron|144|101|doi:10.1016/j.poly.2017.12.030
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.cc25gr5l
title: CCDC 2010169: Experimental Crystal Structure Determination

description: Related Article: Sergiu Calancea, Luca Carrella, Teodora Mocanu, Vladimir Sadohin, Mihai Raduca, Iacob Gutu, Julio C. Rocha, Maria G. F. Vaz, Eva Rentschler, Marius Andruh|2021|Eur.J.Inorg.Chem.|2021|567|doi:10.1002/ejic.202000954
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.cc26mp9v
title: CCDC 2044707: Experimental Crystal Structure Determination

description: Related Article: Sergiu Calancea, Luca Carrella, Teodora Mocanu, Vladimir Sadohin, Mihai Raduca, Iacob Gutu, Julio C. Rocha, Maria G. F. Vaz, Eva Rentschler, Marius Andruh|2021|Eur.J.Inorg.Chem.|2021|567|doi:10.1002/ejic.202000954
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.cc2fgzyv
title: CCDC 2248738: Experimental Crystal Structure Determination

description: Related Article: Alice C. Phung, James C. Fettinger, Philip P. Power|2023|Organometallics|42|1649|doi:10.1021/acs.organomet.3c00190
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: 10.17617/4.dp
title: Solution‐Processed Wafer‐Scale Ag2S Thin Films: Synthesis and Excellent Charge Transport Properties

description: This contains the data of: Wang, J., Fu, S., Zhang, H., Graf, R., Halim, H., Chen, S., et al. (2022). Solution‐Processed Wafer‐Scale Ag2S Thin Films: Synthesis and Excellent Charge Transport Properties. Advanced Functional Materials, 32(28): 2113147. doi:10.1002/adfm.202113147.
DOI: 10.17028/rd.lboro.23967072
title: Supplementary information files for Where next for the electricity distribution system operator? Evidence from a survey of European DSOs and National Regulatory Authorities

description: Supplementary files for article Where next for the electricity distribution system operator? Evidence from a survey of European DSOs and National Regulatory AuthoritiesThis paper seeks to shed light on the nature of optimal regulation of the electricity distribution system operator (DSO) over the period to 2025 and beyond, following the implementation of the EU Clean Energy Package and its constituent parts: Electricity Regulation (EU) 2019/943 and Electricity Directive (EU) 2019/944. We conducted two parallel surveys of DSOs and their national regulatory authorities (NRAs) across 39 European countries. This produced 39 responses from DSOs and 12 responses from NRAs covering, respectively, 40% and 78% of customers in those countries. We asked both DSOs and NRAs three sets of questions related to: (1) the definition and regulation of the future system operator function of the DSO; (2) lessons learned from transmission system operator (TSO) regulation that can be translated to the DSO; and (3) the way in which regulators support the capacity of the DSO to operate and coordinate the system. Our findings are consistent with the observation that the move towards a more active role for the DSO remains work in progress for both DSOs and their NRAs, given the fact that the Clean Energy Package has only passed into European Law relatively recently and some Member States are still implementing its provisions.
DOI: 10.17028/rd.lboro.23967072.v1
title: Supplementary information files for Where next for the electricity distribution system operator? Evidence from a survey of European DSOs and National Regulatory Authorities

description: Supplementary files for article Where next for the electricity distribution system operator? Evidence from a survey of European DSOs and National Regulatory AuthoritiesThis paper seeks to shed light on the nature of optimal regulation of the electricity distribution system operator (DSO) over the period to 2025 and beyond, following the implementation of the EU Clean Energy Package and its constituent parts: Electricity Regulation (EU) 2019/943 and Electricity Directive (EU) 2019/944. We conducted two parallel surveys of DSOs and their national regulatory authorities (NRAs) across 39 European countries. This produced 39 responses from DSOs and 12 responses from NRAs covering, respectively, 40% and 78% of customers in those countries. We asked both DSOs and NRAs three sets of questions related to: (1) the definition and regulation of the future system operator function of the DSO; (2) lessons learned from transmission system operator (TSO) regulation that can be translated to the DSO; and (3) the way in which regulators support the capacity of the DSO to operate and coordinate the system. Our findings are consistent with the observation that the move towards a more active role for the DSO remains work in progress for both DSOs and their NRAs, given the fact that the Clean Energy Package has only passed into European Law relatively recently and some Member States are still implementing its provisions.
DOI: 10.5281/zenodo.8252208
title: DAtaset for VETA Model

description: Dataset for the verification and validation of VETA Model
DOI: 10.5281/zenodo.8252207
title: DAtaset for VETA Model

description: Dataset for the verification and validation of VETA Model
DOI: 10.6084/m9.figshare.22303750
title: Supplementary data 2 - partition model for figure 1 of "Hidden from plain sight: Novel Chlamydiota diversity emerging from screening genomic and metagenomic data."

description: Partition model for figure 1 of "Hidden from plain sight: Novel Chlamydiota diversity emerging from screening genomic and metagenomic data."
DOI: 10.6084/m9.figshare.22303750.v2
title: Supplementary data 2 - partition model for figure 1 of "Hidden from plain sight: Novel Chlamydiota diversity emerging from screening genomic and metagenomic data."

description: Partition model for figure 1 of "Hidden from plain sight: Novel Chlamydiota diversity emerging from screening genomic and metagenomic data."
DOI: 10.6084/m9.figshare.22303750.v1
title: Supplementary data 2 - partition model for figure 1 of "Hidden from plain sight: Novel Chlamydiota diversity emerging from screening genomic and metagenomic data."

description: Partition model for figure 1 of "Hidden from plain sight: Novel Chlamydiota diversity emerging from screening genomic and metagenomic data."
DOI: 10.20393/81710cc2-5651-41bb-b953-772a6cbf8b4f
title: Rough River water temperature, 2001-2017

description: The Rough River (also called the Srahrevagh River) is a tributary of the Srahmore River in the Burrishoole Catchment. Water temperature in the river is measured at high frequency (sub-hourly)  as part of the long term monitoring of the Burrishoole catchment, an index site for salmonid populations in the NorthAtlantic region. This dataset comprises daily values of water temperature between 7/9/2001 and 31/12/2017. Water temperature (in deg C) was measured using a StowAway TidbiT temperature data logger from Onset (TB132-05+37) at location  53.982207, -9.566988. The water depth at the site is circa 0.5m.
DOI: 10.5255/ukda-sn-856622
title: Young People Act: Nature and Climate, 2022-2023

description: This project is the first work package of the UKRI-NERC funded ‘Voices of the Future: Collaborating with Young People to reimagine Treescapes’ The aim of this particular sub-project is to map and evaluate the ethos, activities, structure and impact of organisations and initiatives in the UK which seek to engage young people (age 12-24 years) in nature connection, place change and/or environmental activism in rural and urban environments. Depending on the group remit and context, we were particularly interested in opportunities and barriers to involvement by children and young people from commonly marginalised backgrounds. This will inform shared understandings of what constitutes genuine, effective and sustained inclusion and power for Children and Young People (CYP) with supporting their potential influence with regard to changing UK treescapes (woodlands, parks, street trees). There will be a digital resource to demonstrate good practice and innovation in this field.
DOI: 10.6084/m9.figshare.22303744
title: Supplementary data 1 – metadata and metabolic data for genomes used in Hidden from plain sight: Novel Chlamydiota diversity emerging from screening genomic and metagenomic data.

description: Supplementary data 1 – metadata and metabolic data for genomes used in Hidden from plain sight: Novel Chlamydiota diversity emerging from screening genomic and metagenomic data.<br>Contains all metadata for genomes assembled and genomes used, includingaccession numbers, CheckM scores and Gtdbtk taxonomy. You will also find raw data usedto produce the figures.<br>Here you will find all metadata for genomes as well as some extra metabolic data<b>Yellow tabs contain:</b>S1 - Metadata for genomes assembled in this study extracted from SRAS2 - Metadata for environmental MAGs recovered from NCBI non redundant sequence databaseS3 - Metadata for additional Chlamydiota genomes used<b>Red tabs contain:</b>S4 - AAI percentage similarity scores used to produce genera similarity networksS5 - ANIb percentage similarity scores used to produce species similarity networksS6 - CRISPRcas finder resultsS7 - KEGG pathway hitsS8 - KEGG pathway completenessS9 - Gene cluster presence absence matrix used in figure 4.3a for RhabdochlamydiaceaeS10 - Gene cluster presence absence matrix used in figure 4.3b for SimkaniaceaeS11 - Summaries for gene clusters from Anvi'o used to produce figure 1S12 - Interproscan results for contigs with blastp results matching the large HYDA domain of T. vaginalis (XP_001322682.1), Nyctotherus ovalis (CAA76373.1), and Thalassiosira pseudonana (XP_002295160.1)S13 - HYDDB results for contigs with blastp results matching the large HYDA domain of T. vaginalis (XP_001322682.1), Nyctotherus ovalis (CAA76373.1), and Thalassiosira pseudonana (XP_002295160.1)
DOI: 10.6084/m9.figshare.22303744.v2
title: Supplementary data 1 – metadata and metabolic data for genomes used in Hidden from plain sight: Novel Chlamydiota diversity emerging from screening genomic and metagenomic data.

description: Supplementary data 1 – metadata and metabolic data for genomes used in Hidden from plain sight: Novel Chlamydiota diversity emerging from screening genomic and metagenomic data.<br>Contains all metadata for genomes assembled and genomes used, includingaccession numbers, CheckM scores and Gtdbtk taxonomy. You will also find raw data usedto produce the figures.<br>Here you will find all metadata for genomes as well as some extra metabolic data<b>Yellow tabs contain:</b>S1 - Metadata for genomes assembled in this study extracted from SRAS2 - Metadata for environmental MAGs recovered from NCBI non redundant sequence databaseS3 - Metadata for additional Chlamydiota genomes used<b>Red tabs contain:</b>S4 - AAI percentage similarity scores used to produce genera similarity networksS5 - ANIb percentage similarity scores used to produce species similarity networksS6 - CRISPRcas finder resultsS7 - KEGG pathway hitsS8 - KEGG pathway completenessS9 - Gene cluster presence absence matrix used in figure 4.3a for RhabdochlamydiaceaeS10 - Gene cluster presence absence matrix used in figure 4.3b for SimkaniaceaeS11 - Summaries for gene clusters from Anvi'o used to produce figure 1S12 - Interproscan results for contigs with blastp results matching the large HYDA domain of T. vaginalis (XP_001322682.1), Nyctotherus ovalis (CAA76373.1), and Thalassiosira pseudonana (XP_002295160.1)S13 - HYDDB results for contigs with blastp results matching the large HYDA domain of T. vaginalis (XP_001322682.1), Nyctotherus ovalis (CAA76373.1), and Thalassiosira pseudonana (XP_002295160.1)
DOI: 10.6084/m9.figshare.22303744.v1
title: Supplementary data 1 – metadata and metabolic data for genomes used in Hidden from plain sight: Novel Chlamydiota diversity emerging from screening genomic and metagenomic data.

description: Supplementary data 1 – metadata and metabolic data for genomes used in Hidden from plain sight: Novel Chlamydiota diversity emerging from screening genomic and metagenomic data. <br> Contains all metadata for genomes assembled and genomes used, including accession numbers, CheckM scores and Gtdbtk taxonomy. You will also find raw data used to produce the figures. <br> <strong>Yellow tabs contain:</strong> S1 - Metadata for genomes assembled in this study S2 - Metadata for environmental MAGs recovered from NCBI non redundant sequence database S3 - Metadata for additional Chlamydiota genomes used <br> <strong>Red tabs contain:</strong> S4 - AAI percentage similarity scores used to produce genera similarity networks S5 - ANIb percentage similarity scores used to produce species similarity networks S6 - CRISPRcas finder results S7 - KEGG pathway hits S8 - KEGG pathway completeness S9 - Gene cluster presence absence matrix used in figure 4.3a for Rhabdochlamydiaceae S10 - Gene cluster presence absence matrix used in figure 4.3b for Simkaniaceae
DOI: 10.5281/zenodo.8251744
title: Gaze Detection (GD)

description: Eye Gaze Detection
DOI: 10.5281/zenodo.8251743
title: Gaze Detection (GD)

description: Eye Gaze Detection
DOI: 10.5281/zenodo.6901820
title: Assessing the role of soil microbes in the dynamics of P release from poorly soluble P forms

description: Dataset and script used for the publication <em>Assessing the role of soil microbes in the dynamics of P release from poorly soluble P forms, </em>doi (to be determined).
DOI: 10.6084/m9.figshare.23967153
title: Supplementary Material for: Patterns of Aortic Valve Replacement in Europe: Adoption by Age

description: Introduction: The management of patients with severe aortic stenosis (AS) may differ according to patient age. The aim of this analysis was to describe patterns of aortic valve replacement (AVR) use in European countries stratified by age. Methods: Procedure volume data for AVR, including surgical aortic valve replacement (sAVR) and transcatheter aortic valve implantation (TAVI), for the years 2015–2020 were obtained from national databases for twelve European countries (Austria, Czech Republic, Denmark, England, Finland, France, Germany, Norway, Poland, Spain, Sweden, and Switzerland). Procedure volumes were reported by patient age (&lt;50 years, by five-year age groups between 50 and 85 years, and ≥85 years). Patients per million population (PPM) undergoing AVR each year were calculated using population estimates from Eurostat. Results: AVR PPM varied widely between countries, from 508 PPM in Germany to 174 PPM in Poland in 2020. TAVI rates ranged from 61% in Switzerland and Finland to 25% in Poland. AVR PPM increased with age to a peak at 80–84 years, after which it decreased again. AVR procedures increased from 2015 to 2019 at an average annual rate of 3.9%. AVR increased more substantially in people aged ≥80 years than in younger age groups; these older age groups accounted for 30% of all AVR procedures in 2015 and 35% in 2019. TAVI accounted for an increasing proportion of all AVR procedures as patient age increased; an overall average of 96% of males and 98% of females aged ≥85 years received TAVI as the treatment modality, although adoption of TAVI differed between countries. Conclusions: There is considerable variation in the rates of AVR use and the adoption of TAVI versus sAVR between European countries. The use of TAVI has increased in recent years, particularly for older patients.
DOI: 10.6084/m9.figshare.23967153.v1
title: Supplementary Material for: Patterns of Aortic Valve Replacement in Europe: Adoption by Age

description: Introduction: The management of patients with severe aortic stenosis (AS) may differ according to patient age. The aim of this analysis was to describe patterns of aortic valve replacement (AVR) use in European countries stratified by age. Methods: Procedure volume data for AVR, including surgical aortic valve replacement (sAVR) and transcatheter aortic valve implantation (TAVI), for the years 2015–2020 were obtained from national databases for twelve European countries (Austria, Czech Republic, Denmark, England, Finland, France, Germany, Norway, Poland, Spain, Sweden, and Switzerland). Procedure volumes were reported by patient age (&lt;50 years, by five-year age groups between 50 and 85 years, and ≥85 years). Patients per million population (PPM) undergoing AVR each year were calculated using population estimates from Eurostat. Results: AVR PPM varied widely between countries, from 508 PPM in Germany to 174 PPM in Poland in 2020. TAVI rates ranged from 61% in Switzerland and Finland to 25% in Poland. AVR PPM increased with age to a peak at 80–84 years, after which it decreased again. AVR procedures increased from 2015 to 2019 at an average annual rate of 3.9%. AVR increased more substantially in people aged ≥80 years than in younger age groups; these older age groups accounted for 30% of all AVR procedures in 2015 and 35% in 2019. TAVI accounted for an increasing proportion of all AVR procedures as patient age increased; an overall average of 96% of males and 98% of females aged ≥85 years received TAVI as the treatment modality, although adoption of TAVI differed between countries. Conclusions: There is considerable variation in the rates of AVR use and the adoption of TAVI versus sAVR between European countries. The use of TAVI has increased in recent years, particularly for older patients.