cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15156/bio/sh1396932.08fu
title: SH1396932.08FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh1396933.08fu
title: SH1396933.08FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh1396934.08fu
title: SH1396934.08FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.25549/one-c4-66643
title: Documents
DOI: 10.15156/bio/sh1396935.08fu
title: SH1396935.08FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh1396936.08fu
title: SH1396936.08FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh1396937.08fu
title: SH1396937.08FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.14469/hpc/13332
title: Halogen atom transfer mechanism, doublet for Cu_I after halogen transfer, M062X/Def2-TZVPP, G = -3404.099418 =&gt; -3,635.582438 DG = 30.27 @T355P58 G = -3404.114876

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13372
title: I(-) wb97xd/Def2-TZVPP, G = -297.989129 @T355P58 G = -297.988270

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13375
title: Reductive elimination, wb97xd, cationic ion with loss of I(-), G = -3337.962176 @T355P58 G = -3337.978946

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13377
title: Reductive elimination, Ion-pair isomer rotamer, wB97XD/Def2-TZVPP, G = -3635.951914, ΔG= 28.3 @T355P58 G = -3635.970157

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13392
title: metat2(-3633.367151) Ligand reactant Def2-TZVPP MN11L, G = -529.837009 + -3106.789040 == -3,636.626049 @T355P=58 G = -3106.804212 ==&gt; -3,636.644105 DG = 19.3

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13507
title: Reductive elimination, Ion-pair isomer MN11L/Def2-TZVPP, G = -3636.598891, DG = 17.0, @T355P=58 G = -3636.617397, DG = 16.8

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13508
title: Ligand reactant Def2-TZVPP MN11L, G = -529.837009 + -3106.789040 == -3,636.626049 @T355P=58 G = -3106.804212 ==&gt; -3,636.644105

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13509
title: Reductive elimination, cationic ion with loss of I(-), MN11L/Def2-TZVPP, G = -3338.172265 + -298.425149 = -3,636.597414 (DDG = 0.93) @T355P=58 G = -3338.189081 ==&gt; -3,636.613371, DG = 19.3

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13510
title: sigma metathesis TS, M06L/Def2-TZVPP, , G = -3636.244750 @T355P=58 G = -3636.263127 DG = 38.4

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13523
title: TEre separated ion pair M062X/Def2-TZVPP, @T355P58 G = -3337.750892

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/12940
title: PhI reactant, wB97XD/Def2-TZVPP, G = -529.37503 @T355P58 G= -529.377876

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/12941
title: TS Reductive elimination, M062X/Def2-TZVPP G = -3635.559416, ΔG = 44.7 @T355P58 G = -3635.576900, DG = 45.2

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/12947
title: Reductive elimination wB97XD/Def2-TZVPP, G = -3635.937740 STABLE wavefunction test

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/12959
title: Ligand reactant radical cation, SET mechanism, wB97XD/Def2-TZVPP, G = -3106.435420 + -529.489268 = -3,635.924688 ΔG = 45.6 @T355P58 G = -3106.449945

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13268
title: Oxidative-addition TS, M062X/Def2-TZVPP, G = -3635.572901. ΔG = 36.26 @T355P58 G = -3635.590591 DG = 36.6

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13378
title: TS Reductive elimination, Ion-pair isomer M062X G = -3635.573861, ΔG = 35.65 (ΔΔG -9.1 lower than covalent form) @T355P58 G = -3635.592015, DG = 35.7

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13436
title: PhI reactant M06L/ Def2-TZVPP G =-529.515844 @T355P=58 G = -529.518717

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13438
title: Ligand reactant M06L/Def2-TZVPP G = -529.515844 + -3106.790634 = -3,636.306478 @T355P=58 G = -3106.805563 ==&gt; G = -3,636.32428

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13441
title: Oxidative-addition TS, M06L/Def2-TZVPP, G = -3636.273427, DG = 20.7 @T355P58 G = -3636.291267 DG = 20.7

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13445
title: TS Reductive elimination, M06L/Def2-TZVPP (short Cu-I bond) G = -3636.257244, (2 -ve) DG = 30.1 ==&gt; -3636.258783 DG = 29.9 @T355P58 G = -3636.276763 DG = 29.8

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13460
title: TS-oxid-addn_ wB97XD/Def2-TZVPP, G = -3635.949632 @T355P58 G = -3635.967113

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13520
title: Reductive elimination TS, wB97XD/Def2-TZVPP G =-3635.937740, ΔG= 37.26 @T355P58 G = -3635.955847

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13522
title: TEre separated ion pair M06-L/Def2-TZVPP, @T355P58 G = -3338.213389

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13443
title: TS Reductive elimination, M06L/Def2-TZVPP (long Cu-I bond) G = -3636.273285 DDG = 20.8 @T355P58 G =-3636.291607, DG = 20.5

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13511
title: TS metathesis, Def2-TZVPP, B3LYP, @T355P=58 G = -3636.529477

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13512
title: TS Reductive elimination (short Cu-I bond), Def2-TZVPP, B3LYP, @T355P=58 G = -3636.531174

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13515
title: TS Reductive elimination, Ion-pair isomer B3LYP /Def2-TZVPP, @T355P58 G = -3636.541930 DG = 38.3

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13524
title: FAIR Data Table. Activation energies and Geometries for Catalytic Ullmann reaction

description: Gaussian16 calculations
DOI: 10.14469/hpc/13516
title: TS Reductive elimination, Ion-pair isomer B3LYP /Def2-TZVPP, G = -3636.543423 DG = 37.4

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13521
title: TEre separated ion pair, b3lyp/Def2-TZVPP, @T355P58 G =-3338.538057

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13533
title: PhI reactant, B3LYP+GD3+BJ/ Def2-TZVPP, G = -529.508174 @ 355.150K, 58.26000 Atm

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13534
title: Oxidative-addition Reactant , B3LYP+GD3+BJ/Def2-TZVPP, G = -3107.245264 @ 355.150K, 58.26000 Atm

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13535
title: TSre intimate ion pair, b3lyp+GD3+BJ/Def2-TZVPP, @T355P58 G = -3636.717863, DG = 22.32

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13498
title: PhI reactant, B3LYP/ Def2-TZVPP, G = -529.483382 @ 355.150K, 58.26000 Atm

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13499
title: Oxidative-addition Reactant , B3LYP/Def2-TZVPP, G = -3107.119656+ -529.483382 = -3,636.603038 @ 355.150K, 58.26000 Atm

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/13504
title: Oxidative-addition TS, B3LYP/Def2-TZVPP, G = -3636.532746 @ 355.150K, 58.26000 Atm, DG = 44.1

description: Gaussian 16 (C01) calculation
DOI: 10.34740/kaggle/dsv/7849671
title: AutoXGB
DOI: 10.34740/kaggle/dsv/7849672
title: OnlineFree
DOI: 10.6084/m9.figshare.25415650
title: Supplemental Material: Late Mesozoic stratigraphic framework of the Great Xing’an Range, NE China, and overprinting by the Mongol–Okhotsk and Paleo-Pacific tectonic regimes

description: We provide the results of SIMS zircon U–Pb dating, LA–ICP–MS zircon U–Pb dating, major- and trace-element analyses, and Hf isotope analyses for the samples of late Mesozoic volcanic rocks from the Great Xing’an Range. According to these data, we revised the late Mesozoic stratigraphic framework of the Great Xing'an Range, and reveal the overprinting of the Mongol-Okhotsk and Paleo-Pacific tectonic regimes.
DOI: 10.6084/m9.figshare.25415650.v1
title: Supplemental Material: Late Mesozoic stratigraphic framework of the Great Xing’an Range, NE China, and overprinting by the Mongol–Okhotsk and Paleo-Pacific tectonic regimes

description: We provide the results of SIMS zircon U–Pb dating, LA–ICP–MS zircon U–Pb dating, major- and trace-element analyses, and Hf isotope analyses for the samples of late Mesozoic volcanic rocks from the Great Xing’an Range. According to these data, we revised the late Mesozoic stratigraphic framework of the Great Xing'an Range, and reveal the overprinting of the Mongol-Okhotsk and Paleo-Pacific tectonic regimes.
DOI: 10.6084/m9.figshare.24370660
title: ESM_1.zip

description: This is all the phylogenetic data related to: Martino R., Sianis P. D., Estraviz-López D., Rotarori F. M., Conti S., Ríos M. (2023). <b>Disentangling morphological variation in metapodials of giraffids: modern and traditional approaches</b>. <i>Organisms Diversity & Evolution</i>.
DOI: 10.6084/m9.figshare.24370660.v1
title: ESM_1.zip

description: This is all the phylogenetic data related to: Martino R., Sianis P. D., Estraviz-López D., Rotarori F. M., Conti S., Ríos M. (2023). <b>Disentangling morphological variation in metapodials of giraffids: modern and traditional approaches</b>. <i>Organisms Diversity & Evolution</i>.
DOI: 10.6084/m9.figshare.25393261
title: Quality wines in Italy and France: a dataset of protected designation of origin specifications

description: Italy and France are historically among the countries that produce the most prestigious wines worldwide. In Europe, these two countries together produce more than half of the wines classified under the Protected Designation of Origin (PDO) label, the strictest quality mark of food and wines in the European Union. Due to their long tradition in wine protection, Italy and France include highly detailed regulatory information in their wine PDO regulatory documents that are usually not available for other countries, such as specific information about the main cultivars that must be used to make each wine product or the related required planting density in the vineyards. However, this information is scattered throughout the documents of each wine production area and has never been extracted and homogenised in a unique dataset. Here, we present the first dataset that characterizes the PDO wines produced in Italy and France at very high detail based on the documents from the official EU geographical indication register. It includes, for each country, a standardized list of the PDO wine names, linked with their specific regulatory requirements, including the wine colour, type, cultivars used and maximum allowed yields. The unprecedent level of detail of this dataset allows for the first time the analysis of more than 5000 traditional wines and their legal and agronomic specifications. This gives insights into the interplay between the European Union quality regulation policy, the wine sector and agronomic practices, enabling researchers and practitioners to analyze wine production in the context of specific regulations or economic scenarios.
DOI: 10.6084/m9.figshare.25393261.v1
title: Quality wines in Italy and France: a dataset of protected designation of origin specifications

description: Italy and France are historically among the countries that produce the most prestigious wines worldwide. In Europe, these two countries together produce more than half of the wines classified under the Protected Designation of Origin (PDO) label, the strictest quality mark of food and wines in the European Union. Due to their long tradition in wine protection, Italy and France include highly detailed regulatory information in their wine PDO regulatory documents that are usually not available for other countries, such as specific information about the main cultivars that must be used to make each wine product or the related required planting density in the vineyards. However, this information is scattered throughout the documents of each wine production area and has never been extracted and homogenised in a unique dataset. Here, we present the first dataset that characterizes the PDO wines produced in Italy and France at very high detail based on the documents from the official EU geographical indication register. It includes, for each country, a standardized list of the PDO wine names, linked with their specific regulatory requirements, including the wine colour, type, cultivars used and maximum allowed yields. The unprecedent level of detail of this dataset allows for the first time the analysis of more than 5000 traditional wines and their legal and agronomic specifications. This gives insights into the interplay between the European Union quality regulation policy, the wine sector and agronomic practices, enabling researchers and practitioners to analyze wine production in the context of specific regulations or economic scenarios.
DOI: 10.17632/wfkrwfg7c8.1
title: Installing Radar Speed Signs to Make Roads Safer

description: When it comes to improving traffic management and creating safer roadways, radar speed signs remain essential tools. These gadgets use cutting-edge radar technology to provide drivers with real-time data, allowing them to modify their speed as necessary. They are placed strategically to alert drivers to speed limits and to be cautious in high-risk areas including residential neighbourhoods, school zones, and construction sites.
DOI: 10.6084/m9.figshare.25398895.v1
title: Data related to the identification and genomic characterisation of egoviruses

description: Databases our study used or generated include (1) all RNApolA proteins identified from the metagenomic survey, (2) Egovirales RNApolA proteins and major capsid proteins (MCPs) also identified from the metagenomic survey, (3) HMMs for the RNApolA and <i>Egovirales</i> MCP, (4) and the 57 Egovirales genomes &gt;50kb in length (including 13 complete genomes).
DOI: 10.17632/7pdftfr7yp.1
title: Data for: Robust nanocomposites of α-Fe2O3 and N-doped graphene oxide: Interfacial bonding and chemisorption of H2O

description: Relaxed structures of GO with epoxy groups (GO.cif), graphitic nitrogen (GO-graphiticN.cif), and three pyridinic nitrogen surrounding a carbon vacancy (GO-pyridinicN.cif) from Figure 1 in the manuscript. Relaxed structure of the α-Fe2O3 (0 0 0 1) (Fe2O3-0001.cif) from Figure 2 in the manuscript. Relaxed structure of the Fe2O3-GO composite (Fe2O3-GO.cif), with graphitic N-doping (Fe2O3-GO-graphiticN.cif) and with pyridinic N-doping (Fe2O3-GO-pyridinicN.cif) from Figure 3 in the manuscript. Relaxed structures of chemisorbed H2O on the composites with different hydroxide sites (ortho, meta, para) as noted in Table 3 in the manuscript for the different composites. The additional configurations shown in Figure 6 in the manuscript are denoted 2.
DOI: 10.17632/6rmyt98ny3.1
title: The Relationship Between Perceived Social Support and Posttraumatic Growth Following the 2023 Kahramanmaraş Earthquakes: Sequential Multiple Mediation of Hope and Grit

description: The Relationship Between Perceived Social Support and Posttraumatic Growth Following the 2023 Kahramanmaraş Earthquakes: Sequential Multiple Mediation of Hope and Grit
DOI: 10.17632/tk53xsvshy.1
title: 23-02492-RNAseq-NSA 1.25 uM

description: Centriolar satellites are high-order assemblies, scaffolded by the protein PCM1, that gravitate as particles around the centrosome and play pivotal roles in fundamental cellular processes notably ciliogenesis and autophagy. Despite stringent control mechanisms involving phosphorylation and ubiquitination, the landscape of post-translational modifications shaping these structures remains elusive. Here, we report that necrosulfonamide (NSA), a small molecule known for binding and inactivating the pivotal effector of cell death by necroptosis MLKL, intersects with centriolar satellites, ciliogenesis, and autophagy independently of MLKL. NSA functions as a potent redox cycler and triggers the oxidation and aggregation of PCM1 alongside select partners, while minimally impacting the overall distribution of centriolar satellites. Additionally, NSA-mediated ROS production disrupts ciliogenesis and leads to the accumulation of autophagy markers, partially alleviated by PCM1 deletion. Together, these results identify PCM1 as a redox sensor protein and provide new insights into the interplay between centriolar satellites and autophagy.
DOI: 10.17632/h8rmg56d28.1
title: 23-02492-RNAseq-NSA 2.5 uM

description: Centriolar satellites are high-order assemblies, scaffolded by the protein PCM1, that gravitate as particles around the centrosome and play pivotal roles in fundamental cellular processes notably ciliogenesis and autophagy. Despite stringent control mechanisms involving phosphorylation and ubiquitination, the landscape of post-translational modifications shaping these structures remains elusive. Here, we report that necrosulfonamide (NSA), a small molecule known for binding and inactivating the pivotal effector of cell death by necroptosis MLKL, intersects with centriolar satellites, ciliogenesis, and autophagy independently of MLKL. NSA functions as a potent redox cycler and triggers the oxidation and aggregation of PCM1 alongside select partners, while minimally impacting the overall distribution of centriolar satellites. Additionally, NSA-mediated ROS production disrupts ciliogenesis and leads to the accumulation of autophagy markers, partially alleviated by PCM1 deletion. Together, these results identify PCM1 as a redox sensor protein and provide new insights into the interplay between centriolar satellites and autophagy.