cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2fvgg7
title: CCDC 2259759: Experimental Crystal Structure Determination

description: Related Article: Kanika Vashisth, Sanjay Dutta, Manjur O. Akram, Caleb D. Martin|2023|Dalton Trans.|52|9639|doi:10.1039/D3DT01557B
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.cc2c5j25
title: CCDC 2180046: Experimental Crystal Structure Determination

description: Related Article: Xinghui Hao, Yuqing Zhang, Yanling Sun, Mengge Liu, Qiru Wang, Xinghua Zhao, Xin He|2023|Eur.J.Pharm.Sci.|188|106503|doi:10.1016/j.ejps.2023.106503
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.cc2c5kfk
title: CCDC 2180088: Experimental Crystal Structure Determination

description: Related Article: Xinghui Hao, Yuqing Zhang, Yanling Sun, Mengge Liu, Qiru Wang, Xinghua Zhao, Xin He|2023|Eur.J.Pharm.Sci.|188|106503|doi:10.1016/j.ejps.2023.106503
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.cc2f8p3j
title: CCDC 2242667: Experimental Crystal Structure Determination

description: Related Article: Yasmim G. Gonçalves, Amanda B. Becceneri, Angelica E. Graminha, Victor M. Miranda, Rafaella R. Rios, Francisco Rinaldi-Neto, Mônica S. Costa, Ana C. R. Gonçalves, Victor M. Deflon, Kelly A. G. Yoneyama, Pedro I. S. Maia, Eduardo F. Franca, Márcia R. Cominetti, Roberto S. Silva, Gustavo Von Poelhsitz|2023|Dalton Trans.|52|9590|doi:10.1039/D3DT00750B
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: 10.5519/qd.j0ggxelz
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (183 records)
DOI: 10.48420/23685243
title: SEM - Zeiss Ultra 55 IV

description: Imaging of dropcast, dilute Ti3C2Tz aqueous suspensions to obtain particle-size distributions with subsequent image analysis. Compositional analyses of freeze-cast, lyophilised, calendered, annealed and laser-irradiated (in laser flash analysis) Ti3C2Tz aerogels are also performed using EDX. <br> For full detail on the uploaded data and the conducted experiments, including data analyses, please see the attached .pdf of the same name as this item.
DOI: 10.48420/23685243.v1
title: SEM - Zeiss Ultra 55 IV

description: Imaging of dropcast, dilute Ti3C2Tz aqueous suspensions to obtain particle-size distributions with subsequent image analysis. Compositional analyses of freeze-cast, lyophilised, calendered, annealed and laser-irradiated (in laser flash analysis) Ti3C2Tz aerogels are also performed using EDX. <br> For full detail on the uploaded data and the conducted experiments, including data analyses, please see the attached .pdf of the same name as this item.
DOI: 10.48420/23690685
title: AFM of dropcast MXene nanoparticles - JPK Nanowizard

description: The JPK Nanowizard AFM is used to obtain average Ti<sub>3</sub>C<sub>2</sub>T<sub>z</sub> nanoparticle height to deduce the layer thickness of the synthesis products. <br> For a full description of the uploaded data and experimental methods, please see the attached .pdf.
DOI: 10.48420/23690685.v1
title: AFM of dropcast MXene nanoparticles - JPK Nanowizard

description: The JPK Nanowizard AFM is used to obtain average Ti<sub>3</sub>C<sub>2</sub>T<sub>z</sub> nanoparticle height to deduce the layer thickness of the synthesis products. <br> For a full description of the uploaded data and experimental methods, please see the attached .pdf.
DOI: 10.57841/casdc.0001625
title: 氮化硼/氮化硼体系在界面距离为2.0466埃时的势能面
DOI: 10.5281/zenodo.8091220
title: PIGNet2: A versatile deep learning-based protein-ligand interaction prediction model for accurate binding affinity scoring and virtual screening

description: Training and test datasets of the paper "Improving the versatility of deep learning-based protein-ligand interaction prediction for accurate binding affinity scoring and virtual screening".
DOI: 10.5281/zenodo.8091219
title: PIGNet2: A versatile deep learning-based protein-ligand interaction prediction model for accurate binding affinity scoring and virtual screening

description: Training and test datasets of the paper "Improving the versatility of deep learning-based protein-ligand interaction prediction for accurate binding affinity scoring and virtual screening".
DOI: 10.57841/casdc.0001626
title: 氮化硼/氮化硼体系在界面距离为2.0426埃时的势能面
DOI: 10.57841/casdc.0001627
title: 氮化硼/氮化硼体系在界面距离为2.0386埃时的势能面
DOI: 10.57841/casdc.0001628
title: 氮化硼/氮化硼体系在界面距离为2.0346埃时的势能面
DOI: 10.57841/casdc.0001629
title: 氮化硼/氮化硼体系在界面距离为2.0306埃时的势能面
DOI: 10.57841/casdc.0001630
title: 氮化硼/氮化硼体系在界面距离为2.0266埃时的势能面
DOI: 10.57841/casdc.0001631
title: 氮化硼/氮化硼体系在界面距离为2.0226埃时的势能面
DOI: 10.57841/casdc.0001632
title: 氮化硼/氮化硼体系在界面距离为2.0186埃时的势能面
DOI: 10.57841/casdc.0001633
title: 氮化硼/氮化硼体系在界面距离为2.0146埃时的势能面
DOI: 10.57841/casdc.0001634
title: 氮化硼/氮化硼体系在界面距离为2.0106埃时的势能面
DOI: 10.57841/casdc.0001635
title: 氮化硼/氮化硼体系在界面距离为2.0066埃时的势能面
DOI: 10.57841/casdc.0001636
title: 氮化硼/氮化硼体系在界面距离为2.0026埃时的势能面
DOI: 10.57841/casdc.0001637
title: 氮化硼/氮化硼体系在界面距离为1.9986埃时的势能面
DOI: 10.57841/casdc.0001638
title: 氮化硼/氮化硼体系在界面距离为1.9946埃时的势能面
DOI: 10.5281/zenodo.8109601
title: Data on soil compounds, respiration and incorporation of 13C-labeled substrate

description: Root exudation increases the concentration of readily available carbon (C) compounds in its immediate environment. This creates ‘hotspots’ of microbial activity characterized by accelerated soil organic matter turnover with direct implications for nutrient availability for plants. However, we still lack a deeper understanding of the microbial metabolic processes that occur in the immediate vicinity of the roots during and after a root exudation event. Even though theoretical concepts have been developed, the direct consequences of root exudation on microbial metabolism and nutrient availability have never been measured in their immediate environment in intact soil. Here, we used reverse microdialysis to simulate root exudation by releasing a <sup>13</sup>C-labelled mix of low-molecular-weight organic C compounds at discrete, mm-sized locations in undisturbed soil in combination with <sup>13</sup>C stable isotope tracing. This approach allowed us to investigate the fine-scale temporal and spatial response of microbial metabolism and soil chemistry to root exudation at the mm-scale, and to trace microbial respiration and uptake of exuded compounds. Our results show that a 9-hour simulated root exudation pulse leads to i) a large local respiration event and ii) alteration of the temporal dynamics of soil metabolites over the following twelve days right at the spot of exudate release. Notably, we observed an approximately threefold increase in ammonium concentrations twelve hours after the pulse and increased nitrate concentrations five days after the pulse. We also observed an increase of various short-chain fatty acids, such as acetate, propionate and formate over the following days, indicating altered microbial metabolic pathways and activity. Phospholipid and neutral lipid fatty acids (PLFAs and NLFAs) of all major microbial groups were significantly enriched in <sup>13</sup>C within a radius of 5 mm around the microdialysis probes, but not beyond. The highest relative <sup>13</sup>C enrichment was observed in fungal NLFAs, indicating that a significant proportion of the exuded compounds had been incorporated into fungal storage compounds. Our findings indicate that the punctual release of low-molecular weight organic C compounds into intact soil significantly changes microbial metabolism and activity in its immediate surroundings, which lead to enhanced mineralisation of native organic nitrogen (N). Our observations emphasise the versatility of microbial metabolic pathways that underlie the response of soil microbes to rapidly altered C availability. They furthermore demonstrate the effectiveness of this response, as triggered by root exudation pulses, to increase nutrient availability for plants around the root.
description: See Readme.pdf
DOI: 10.5281/zenodo.8109600
title: Data on soil compounds, respiration and incorporation of 13C-labeled substrate

description: Root exudation increases the concentration of readily available carbon (C) compounds in its immediate environment. This creates ‘hotspots’ of microbial activity characterized by accelerated soil organic matter turnover with direct implications for nutrient availability for plants. However, we still lack a deeper understanding of the microbial metabolic processes that occur in the immediate vicinity of the roots during and after a root exudation event. Even though theoretical concepts have been developed, the direct consequences of root exudation on microbial metabolism and nutrient availability have never been measured in their immediate environment in intact soil. Here, we used reverse microdialysis to simulate root exudation by releasing a <sup>13</sup>C-labelled mix of low-molecular-weight organic C compounds at discrete, mm-sized locations in undisturbed soil in combination with <sup>13</sup>C stable isotope tracing. This approach allowed us to investigate the fine-scale temporal and spatial response of microbial metabolism and soil chemistry to root exudation at the mm-scale, and to trace microbial respiration and uptake of exuded compounds. Our results show that a 9-hour simulated root exudation pulse leads to i) a large local respiration event and ii) alteration of the temporal dynamics of soil metabolites over the following twelve days right at the spot of exudate release. Notably, we observed an approximately threefold increase in ammonium concentrations twelve hours after the pulse and increased nitrate concentrations five days after the pulse. We also observed an increase of various short-chain fatty acids, such as acetate, propionate and formate over the following days, indicating altered microbial metabolic pathways and activity. Phospholipid and neutral lipid fatty acids (PLFAs and NLFAs) of all major microbial groups were significantly enriched in <sup>13</sup>C within a radius of 5 mm around the microdialysis probes, but not beyond. The highest relative <sup>13</sup>C enrichment was observed in fungal NLFAs, indicating that a significant proportion of the exuded compounds had been incorporated into fungal storage compounds. Our findings indicate that the punctual release of low-molecular weight organic C compounds into intact soil significantly changes microbial metabolism and activity in its immediate surroundings, which lead to enhanced mineralisation of native organic nitrogen (N). Our observations emphasise the versatility of microbial metabolic pathways that underlie the response of soil microbes to rapidly altered C availability. They furthermore demonstrate the effectiveness of this response, as triggered by root exudation pulses, to increase nutrient availability for plants around the root.
description: See Readme.pdf
DOI: 10.5281/zenodo.8158769
title: Polígonos sitios arqueológicos Valle de Camarones, cursos bajo y medio

description: Polígono de los sitios descritos en el catastro de los cursos bajo y medio del valle de Camarones.
DOI: 10.57841/casdc.0001639
title: 氮化硼/氮化硼体系在界面距离为1.9906埃时的势能面
DOI: 10.57841/casdc.0001640
title: 氮化硼/氮化硼体系在界面距离为1.9866埃时的势能面
DOI: 10.57841/casdc.0001641
title: 氮化硼/氮化硼体系在界面距离为1.9826埃时的势能面
DOI: 10.18112/openneuro.ds004158.v1.0.5
title: rest_eye
DOI: 10.57841/casdc.0001642
title: 氮化硼/氮化硼体系在界面距离为1.9786埃时的势能面
DOI: 10.57841/casdc.0001643
title: 氮化硼/氮化硼体系在界面距离为1.9746埃时的势能面
DOI: 10.6084/m9.figshare.23702382
title: R codes and data files for analysis and data presentation for all data analysed on the study

description: R codes for the linear and generalized linear mixed model analyses presented in the study "Self-fertilization does not lead to inbreeding depression in <em>Typha</em> parent species or hybrids" by Rock, Whitehead et al. <br> Y prefix for each data file corresponds with the year the data was collected (Y1 = first year of the study, 2020; Y2 = 2021) <br> Column info: Mating_Type = Cross: the type of hand pollination conducted: Outbred = hand outcross; Inbred = hand self-pollination * Taxonomic_Group = Taxa: Taxonomic ID for the maternal parent used in the hand pollination Sample_Name = ID: code for the plant ID; leading numbers refer to the population/site of origin; first letter in the code refers to the taxon (A = anguistifolia etc.); "1M" refers to hand outcross*; "0Z" refers to hand self pollinations*; numbers following the dash is the maternal parent plant used in the hand pollination) Box: the wooden frame in which plants were grown Number: location of the transplanted plant in the wetland Row: the row in which plants were transplanted Seed_Set_Count = Seedset: the number of seeds per 0.5 g fruit tissue Germination_Count = Germination: the number of germinated seeds following 10 days of immersion in water Weight: mass (in g) of the sample of seeds used for the estimation of Seedset Height: the height (cm) of tallest leaf per genet Biomass: above-ground dry mass of the genet (all ramets combined) Ramet: the number of ramets per genet <br> * For the file Y2_CommonGarden.csv the association between the ID codes and the cross type were mixed up and Cross:Inbred actually refers to a hand outcross pollinationsl Cross:Outbred actually refers to hand self pollinations
DOI: 10.6084/m9.figshare.23702382.v2
title: R codes and data files for analysis and data presentation for all data analysed on the study

description: R codes for the linear and generalized linear mixed model analyses presented in the study "Self-fertilization does not lead to inbreeding depression in <em>Typha</em> parent species or hybrids" by Rock, Whitehead et al. <br> Y prefix for each data file corresponds with the year the data was collected (Y1 = first year of the study, 2020; Y2 = 2021) <br> Column info: Mating_Type = Cross: the type of hand pollination conducted: Outbred = hand outcross; Inbred = hand self-pollination * Taxonomic_Group = Taxa: Taxonomic ID for the maternal parent used in the hand pollination Sample_Name = ID: code for the plant ID; leading numbers refer to the population/site of origin; first letter in the code refers to the taxon (A = anguistifolia etc.); "1M" refers to hand outcross*; "0Z" refers to hand self pollinations*; numbers following the dash is the maternal parent plant used in the hand pollination) Box: the wooden frame in which plants were grown Number: location of the transplanted plant in the wetland Row: the row in which plants were transplanted Seed_Set_Count = Seedset: the number of seeds per 0.5 g fruit tissue Germination_Count = Germination: the number of germinated seeds following 10 days of immersion in water Weight: mass (in g) of the sample of seeds used for the estimation of Seedset Height: the height (cm) of tallest leaf per genet Biomass: above-ground dry mass of the genet (all ramets combined) Ramet: the number of ramets per genet <br> * For the file Y2_CommonGarden.csv the association between the ID codes and the cross type were mixed up and Cross:Inbred actually refers to a hand outcross pollinationsl Cross:Outbred actually refers to hand self pollinations
DOI: 10.5281/zenodo.8055890
title: Experimental data for the article on Topological nodal line in superfluid 3He and the Anderson theorem

description: This submission contains the minimal dataset required to reproduce the experimental findings related to the article titled <em>Topological nodal line in superfluid <sup>3</sup>He and the Anderson theorem</em> associated with DOI 10.1038/s41467-023-39977-2.
DOI: 10.5281/zenodo.8055891
title: Experimental data for the article on Topological nodal line in superfluid 3He and the Anderson theorem

description: This submission contains the minimal dataset required to reproduce the experimental findings related to the article titled <em>Topological nodal line in superfluid <sup>3</sup>He and the Anderson theorem</em> associated with DOI 10.1038/s41467-023-39977-2.
DOI: 10.17179/excli2023-6215/supplementary_data
title: Normative data in resting and maximum heart rates and a prediction equation for young Tunisian soccer players: a cross-sectional study

description: Heart rate (HR) is an important indicator of work intensity during physical activity. Maximum heart rate (MHR) is a physiological measure that is frequently used as a benchmark for maximal exercise intensity. The aim of this study was to establish reference curves for maximum heart rate (MHR) and resting heart rate (RHR) and to develop an estimated equation for Tunisian adolescent footballers. The study involved 801 adolescent players, aged 11 to 18, who belonged to five Tunisian first-division soccer teams. The LMS method was used for smoothing the curves and the multivariate linear regression to develop a prediction equation of MHR. Our results showed that MHR and RHR reference curves decrease with age. The values of the median curves of MHR and RHR ranged from 208.64 bpm (11 years) to 196.93 (18 years) and 73.86 (11 years) to 63.64 (18 years), respectively. The prediction equation obtained from the model was MHR= 225.08 – 1.55 X Age (years) (R2 = 0.317; P &lt; 0.001; standard error of the estimate (SEE) = 5.22). The comparisons between the estimated values and the measured values have found that our model (- 0.004 ±5.22 bpm) was to be more accurate than two other widely known models. BOX's equation underestimates the measured MHR values by -3.17 ± 5.37 bpm and TANAKA's equation overestimates by + 4.33 ±5.5 bpm. The reference curves can be used by coaches and physical trainers to classify the resting heart rate (RHR) and maximum heart rate (MHR) of each adolescent player, track their evolution over time, and design tailored training programs with specific intensities for Tunisian soccer players.
description: EXCLI Journal; 22:Doc670; ISSN 1611-2156
DOI: 10.5281/zenodo.8158833
title: Experimental Results for "A Unified Perspective on Natural Gradient Variational Inference with Gaussian Mixture Models"

description: This package contains the raw data / logs (fetched from WandB) for the experiments of the following publication: O. Arenz, P. Dahlinger, Z. Ye, M. Volpp, and G. Neumann. A unified perspective on natural gradient variational inference with gaussian mixture models. Transactions on Machine Learning Research, 2023. URL: https://openreview.net/forum?id=tLBjsX4tjs.
description: {"references": ["O. Arenz, P. Dahlinger, Z. Ye, M. Volpp, and G. Neumann. A unified perspective on natural gradient variational inference with gaussian mixture models. Transactions on Machine Learning Research, 2023. URL: https://openreview.net/forum?id=tLBjsX4tjs."]}
DOI: 10.5281/zenodo.8158832
title: Experimental Results for "A Unified Perspective on Natural Gradient Variational Inference with Gaussian Mixture Models"

description: This package contains the raw data / logs (fetched from WandB) for the experiments of the following publication: O. Arenz, P. Dahlinger, Z. Ye, M. Volpp, and G. Neumann. A unified perspective on natural gradient variational inference with gaussian mixture models. Transactions on Machine Learning Research, 2023. URL: https://openreview.net/forum?id=tLBjsX4tjs.
description: {"references": ["O. Arenz, P. Dahlinger, Z. Ye, M. Volpp, and G. Neumann. A unified perspective on natural gradient variational inference with gaussian mixture models. Transactions on Machine Learning Research, 2023. URL: https://openreview.net/forum?id=tLBjsX4tjs."]}
DOI: 10.5517/ccdc.csd.cc2c2t5g
title: CCDC 2177445: Experimental Crystal Structure Determination

description: Related Article: chuang song|2022|CSD Communication|||
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.23702625
title: foreign language enjoyment (FLE)

description: foreign language enjoyment (FLE) and L2 proficiency
DOI: 10.6084/m9.figshare.20766064
title: Supplementary Data of "Stepwise pathway for early evolutionary assembly of dissimilatory sulfite and sulfate reduction"

description: <strong>Sinje Neukirchen</strong><sup><strong>1</strong></sup><strong>, Inês A. C. Pereira</strong><sup><strong>2</strong></sup><strong>, Filipa L. Sousa</strong><sup><strong>1</strong></sup><strong>*</strong> <sup>1</sup> Genome Evolution and Ecology Group, Department of Functional and Evolutionary Ecology, University of Vienna, Djerassiplatz 1, 1030 Wien, Austria <sup>2</sup> Instituto de Tecnologia Química e Biológica António Xavier, Universidade Nova de Lisboa, Av. da República, 2780-157 Oeiras, Portugal. <br> <br> Supplementary Data 1 – FASTA files containing all amino acid sequences including the NCBI RefSeq/GenBank/IMG accession numbers per protein. Supplementary Data 2 – Mapping table of selected sequences after 90 % global identity redundancy reduction to the corresponding protein sequence accession numbers, genome identifiers, and taxonomic affiliation. Supplementary Data 3 – Trimmed multiple sequence alignments of protein sequences present in only complete genomes. Supplementary Data 4 – Trimmed multiple sequence alignments of protein sequences covering the full diversity including metagenome-derived genomic assemblies. Supplementary Data 5 – Phylogenetic reconstruction of protein sequences present in only complete genomes using ModelFinder with best model selection. Supplementary Data 6 – Phylogenetic reconstruction of protein sequences covering the full diversity including metagenome-derived genomic assemblies using ModelFinder with best model selection. Supplementary Data 7 – Phylogenetic reconstruction of protein sequences present in only complete genomes using the model LG+I+G4. Supplementary Data 8 – Phylogenetic reconstruction of protein sequences covering the full diversity including metagenome-derived genomic assemblies using the model LG+I+G4. <br> <br>
DOI: 10.3886/e192821
title: Online Florentine Catasto of 1457

description: The “Florentine Catasto of 1457” was digitized by Marianna Belloc (Sapienza Università di Roma), Francesco Drago (Università di Catania), Mattia Fochesato (Università Bocconi), and Roberto Galbiati (CNRS-SciencesPo). The original documents can be accessed at “Archivio di Stato di Firenze, Viale della Giovine Italia 6, 50122 Firenze, IT” and are included in the archival fund “Catasto del 1457 - Portate dei Cittadini”, Volumes 785-832. Information on Cosimo de Medici and his family (that is missing in the original documents) was taken from de Roover, R. (1963: p.26), “The Rise and Decline of the Medici Bank 1397-1494”, Cambridge (Mass): Harvard University Press.<br>