cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.1012555.v1
title: KS eigenvalue and virtual orbital character of the low-lying orbitals in pyridazine, obtained from a minimal basis set calculation

description: <b>Table 6.</b> KS eigenvalue and virtual orbital character of the low-lying orbitals in pyridazine, obtained from a minimal basis set calculation. <strong>Abstract</strong> The valence shell electronic states of pyridazine have been studied experimentally, by recording the photoabsorption spectrum, and theoretically, by calculating oscillator strengths and excitation energies. The absolute photoabsorption cross section has been measured between 4 and 40 eV, using synchrotron radiation, and is dominated by prominent bands associated with intravalence transitions. In contrast, structure due to Rydberg excitations is weak. One Rydberg state, belonging to a series converging onto the {\rm \tilde X}\;{}^2{\rm B}_{\rm 2} state limit has been observed and assigned. The accompanying vibrational structure has been characterized by analogy with that in the corresponding photoelectron band. Vibrational progressions associated with Rydberg states belonging to one or more series converging onto the {\rm \tilde A}\;{}^2{\rm A}_{\rm 2} state limit have also been observed. The absorption structure associated with these series is complex and only tentative assignments have been proposed for the Rydberg states. The time-dependent version of density functional theory has been used to calculate oscillator strengths and excitation energies for the optically allowed singlet–singlet valence transitions and also to obtain the excitation energies for electric-dipole-forbidden and/or spin-forbidden transitions. The valence shell photoionization dynamics have been investigated theoretically by calculating photoelectron angular distributions and photoionization partial cross sections of the four outermost orbitals. In addition, the ground state outer valence electronic configuration has been obtained at the complete active space self-consistent field and the N-electron valence state perturbation theory to second-order levels of theory.
DOI: 10.6084/m9.figshare.10310759.v1
title: repeat annotations of Folsomia candida

description: repeat annotations of Folsomia candida
DOI: 10.6084/m9.figshare.25659141.v1
title: Data for Basin-dependent response of Northern Hemisphere winter blocking frequency to CO<sub>2</sub> removal

description: Data for Basin-dependent response of Northern Hemisphere winter blocking frequency to CO<sub>2</sub> removal.
DOI: 10.6084/m9.figshare.7729535.v1
title: Vital signs 19092018.xlsx

description: vital signs data
DOI: 10.17632/vsmv7w75fb
title: Data for: Cyclic Late Ordovician glacioeustasy and its controls on the development of the Wufeng organic-rich shale, South China

description: The file comprises of all original data supporting the paper "Cyclic late Katian through Hirnantian glacioeustasy and its controls on the development of the organic-rich shale, South China",
DOI: 10.6084/m9.figshare.19590256.v1
title: scAgeCom Seurat TMS objects

description: These are the Seurat objects (rds files) that contain the Tabula Muris Senis (Droplet and FACS) datasets used as inputs to the scAgeCom intercellular communication analysis. They are similar to the original (python) TMS datasets and, in addition, they contain custom cell type names and families used specifically for the cell-cell communication analysis.
DOI: 10.6084/m9.figshare.23681896.v1
title: The isotope geochemistry of host rocks of the late Archean Guandi and Banshigou banded iron formations, southern Jilin Province: temporal and tectonic significance

description: The Guandi and Banshigou iron deposits of southern Jilin Province, China, are Algoma-type banded iron formations (BIFs) located in the Eastern Block of the North China Craton (NCC). LA–ICP–MS U–Pb dating shows the magmatic zircons in plagioclase amphibolite from the Guandi BIF (PA–GD) and plagioclase hornblende gneiss from the Banshigou BIF (PHG–BSG) were crystallised at 2556 ± 17 Ma and 2545 ± 27 Ma, respectively, representing the formation age of the BIFs. Metamorphic overgrowth zircons from both samples gave two U–Pb ages of 2452 ± 23 Ma and 2446 ± 70 Ma, indicating the age of metamorphism. The zircon ε<sub>Hf</sub>(t) values of PA–GD (–1.3 to +2.8) and PHG–BSG (–1.5 to +2.7) indicate that the magma source was derived from depleted mantle with contamination of crustal material. According to our study, the PA–GD and PHG–BSG were formed in an island arc setting and support previously proposed subduction zone tectonic models for the northeastern NCC during the Neoarchean. The magmatic zircons from the PA–GD and PHG–BSG were crystallised at 2556 ± 17 Ma and 2545 ± 27 Ma, which represents the formation age of the BIFs. The metamorphic overgrowth zircons from the PA–GD and PHG–BSG gave two ages of 2452 ± 23 Ma and 2446 ± 70 Ma, which represent the age of metamorphism. Major-element and REE data indicate that BIFs precipitated in a mixture of seawater and hydrothermal fluids in an anoxic environment. Geochemical and Hf isotope characteristics of BIFs’ wall rock indicate that the source magma was derived from a depleted mantle wedge metasomatised by subduction-slab melts and contaminated by ancient crust, formed in an island arc setting.
DOI: 10.6084/m9.figshare.24208014.v1
title: Dataset: plant functional traits used in ELM-FATES for arctic ecosystem

description: Multiple sets of plant functional traits that allowed ELM-FATES to reproduce aboveground vegetation biomass and composition that were observed at the Kougarok Hillslope site in Alaska. Detailed descriptions of parameters and other default values can be found at https://github.com/NGEET/fates. The ending numbers 7, 9, and 10 in the parameter names correspond to plant functional types of evergreen shrub, deciduous shrub, and graminoid, respectively.
DOI: 10.25422/azu.data.23015720.v1
title: Supporting Information for "Volatiles, vesicles, and vugs: Unraveling the magmatic and eruptive histories of Steno Crater basalts"

description: Datasets authored by Zoe E. Wilbur, J. J. Barnes, S. A. Eckley, I. J. Ong, M. Brounce, C. A. Crow, T. Erickson, J. J. Kent, J. W. Boyce, J. L. Mosenfelder, T. Hahn Jr., F. M. McCubbin, T. J. Zega, and the ANGSA Science Team <strong>ANGSA Microscope Mosaic Repository Folder:</strong> Reflected light mosaics obtained with Keyence Digital Microscope. Includes mosaics for 71035,29; 71037,5; and 71055,71 thin sections, and 71035,50; 71037,10; 71055,249; and 71036,9 thick sections. <strong>3D XCT Data Repository Folders (71035 XCT; 71036 XCT; 71037 XCT; 71055 XCT, and ANGSA XCT Word document):</strong> X-ray computed tomography scans of ANGSA Apollo 17 basaltic samples. The zipped file includes folders with images for 71035,36; 71035,44; 71037,0; 71036,2; 71036,3; 71055,10; 71055,20; and 71055,41. The file also includes a contents metadata file for scan conditions and parameters. <strong>EMPA BSE Maps Repository:</strong> Backscattered electron (BSE) and scanning electron microscope (SEM) maps of ANGSA Apollo 17 thin and thick sections. Includes mosaics for 71035,29; 71037,5; and 71055,71 thin sections, and 71035,50; 71037,10; 71055,249; and 71036,9 thick sections. Please see the publication for details of collection parameters. <strong>EPMA Chemical Data Repository: </strong>Contains excel spreadsheets of processed chemical (mineral and glass) data for the Apollo 17 ANGSA basalts. The folder contains 4 spreadsheets. “EPMA Apatite All Samples” contains phosphate chemistry for all thin and thick sections. “EPMA Existing Thin Sections” contains data for 71035,29; 71037,5; and 71055,71. “EPMA New Thin Sections” contains data for 71035,50; 71037,10; and 71055,249. The final sheet “71036,9 EPMA” contains all the mineral and glass chemistry for the frozen thick section, 71036,9. This dataset supplements the following publication: Z. E. Wilbur, J. J. Barnes, S. A. Eckley, I. J. Ong, M. Brounce, C. A. Crow, T. Erickson, J. J. Kent, J. W. Boyce, J. L. Mosenfelder, T. Hahn Jr., F. M. McCubbin, T. J. Zega, and the ANGSA Science Team (in review). Volatiles, vesicles, and vugs: Unraveling the magmatic and eruptive histories of Steno Crater basalts. Meteoritics and Planetary Science.<br><br><em>For inquiries regarding the contents of this dataset, please contact the Corresponding Author listed in the README.txt file. Administrative inquiries (e.g., removal requests, trouble downloading, etc.) can be directed to data-management@arizona.edu</em>
DOI: 10.6084/m9.figshare.16550910.v4
title: UHPLC and LC-MS(ESI-MS)Test For Ethanolic Extract of White Oyster Mushroom.docx

description: The data is original source from the my exsperimental
DOI: 10.17632/4y5mzppzmb
title: Ancient origin and constrained evolution of the division and cell wall (dcw) gene cluster across Bacteria

description: SUPPORTING DATA:
 
Data from the manuscript of Megrian et al., "Ancient origin and constrained evolution of the division and cell wall (dcw) gene cluster across Bacteria”

- CONCAT/
	- concat_12DCW.treefile
	Phylogeny presented in Figure 6 and Supplementary Figure 14, in newick format.
	- concat_12DCW_collapsed.treefile
	Same phylogeny as concat_12DCW.treefile, but with phyla collapsed into a single branch.
	- concat_12DCCW.aln
	Concatenation alignment used to reconstruct the phylogeny. Corresponds to the concatenation of 12 dcw cluster proteins.
	- RENAME_CONCAT.txt
	Annotation file to rename the labels of the newick file on iTol (https://itol.embl.de)
	- cleaned_trimmed_single_alignments/
	Directory containing cleaned and trimmed single alignments used for the concatenation.

- PARALOGS/
	- *.treefile
	Phylogenies presented in Figure 4 and Supplementary Figures 2, 3 and 4, in newick format.
	- *.trim
	Trimmed alignments used to reconstruct the phylogenies.
	- *.aln
	Alignments used to reconstruct the phylogenies (before trimming).
	- *.fasta
	Sequences aligned to reconstruct the phylogenies.

- PastML/
	- pastml_raw_output.tab
	Output of PastML inferences. Columns correspond to contiguous pairs of dcw cluster genes. Rows correspond to node names in the reference phylogeny. 0 refers to absence of the pair in the correspoding node, 1 refers to presence.
	- pastml_ref_tree.treefile
	Reference phylogeny used for the inference. Node names are indicated.

- SGT_before_cleaning
	- *_raw.treefile
	Single gene phylogenies obtained after the homology searches, before cleaning.
	- *_raw.trim
	Trimmed alignments used to reconstruct the phylogenies.
	- *_raw.aln
	Alignments used to reconstruct the phylogenies (before trimming).
	- *_raw.fasta
	Sequences aligned to reconstruct the phylogenies.
	- RENAME_SGT.txt
	Annotation file to rename the labels of the newick files on iTol (https://itol.embl.de)

- OTHER_REF_TREES
	- CORE
	Contains CONCAT and SGT_before_cleaning data, based on 63 core genome markers.
	- RNAPOL_IF2
	Contains CONCAT and SGT_before_cleaning data, based on RNApol+IF2 markers.
	- RPROTS
	Contains CONCAT and SGT_before_cleaning data, based on 16rprot markers.

- CPR
	- CPR.treefile
	Phylogeny presented in Figure 5. Obtained from a supermatrix that contains 302 sequences (27 chloroflexi + 275 CPRs), and 2126 amino acid positons. The concatenated proteins are: MurG, MurF, MurE, MurD, MurC, MraZ, MraY, MraW, FtsZ, FtsW, FtsI, FtsA. IQ-TREE v2.3.1 was used to infer the ML tree. Best-fit model: LG+F+R10 chosen according to BIC. Ultrafast bootstrap 1000.

- TREES_CLEANING
	- cleanTrees.R
	R script used for cleaning phylogenies.
	- SAMPLE_FILES
	Files needed to run the script.
DOI: 10.6084/m9.figshare.16934107.v4
title: Raw Dataset-Screen Time During COVID 19 in Indian Adolescents

description: Dataset for the cross sectional study on screen time in adolescents during COVID 19 pandemic
DOI: 10.6084/m9.figshare.21062529.v1
title: DNA repair in lung cancer: a large-scale quantitative analysis for polymorphisms in DNA repairing pathway genes and lung cancer susceptibility

description: The results of associations between single nucleotide polymorphisms (SNPs) of genes in DNA repairing pathway and lung cancer (LC) risk are inconsistent. We applied allele, dominant and recessive models to explore the risk of researched variants to LC in total LC and subgroups by ethnicity or LC subtypes with a cutoff point of <i>p</i> &lt; 0.05. A total of 76,935 cases and 88,649 controls from 192 articles were included. Among the analyzed 40 variants from 20 genes, we found 9 statistically significant variants in overall populations by allele model, including five SNPs (rs1760944, rs9344, rs13181, rs1001581, and rs915927) increasing LC risk (odd ratios [ORs] = 1.10–1.71) and four SNPs (rs1042522, rs3213245, rs11615, and rs238406) decreasing the risk (ORs = 0.75–0.94). We identified rs1042522 and rs13181 as significant variants for LC in three models. Additionally, we identified differential significant SNPs in ethnic and subtype’s analysis with comparison to total population. There are five SNPs in DNA repairing pathway associated with increased LC risk and four others decreased LC risk. Besides, the risky SNPs in different ethnicities and various LC subtypes were partly different, and the contribution of different genotypes to risk alleles were various as well.
DOI: 10.6084/m9.figshare.5128762.v1
title: Supplementary Material for: Characterisation of the Oxygenation Response to Inspired Oxygen Adjustments in Preterm Infants

description: <b><i>Background:</i></b> Oxygen saturation (SpO<sub>2</sub>) targeting in the preterm infant may be improved with a better understanding of the SpO<sub>2</sub> responses to changes in inspired oxygen (FiO<sub>2</sub>). <b><i>Objective:</i></b> We investigated the first-order FiO<sub>2</sub>-SpO<sub>2</sub> relationship, aiming to quantify the parameters governing that relationship, the influences on these parameters and their variability. <b><i>Methods:</i></b> In recordings of FiO<sub>2</sub> and SpO<sub>2</sub> from preterm infants on continuous positive airway pressure and supplemental oxygen, we identified unique FiO<sub>2</sub> adjustments and mapped the subsequent SpO<sub>2</sub> responses. For responses identified as first-order, the delay, time constant and gain parameters were determined. Clinical and physiological predictors of these parameters were sought in regression analysis, and intra- and inter-subject variability was evaluated. <b><i>Results:</i></b> In 3,788 h of available data from 47 infants at 31 (28-33) post-menstrual weeks [median (interquartile range)], we identified 993 unique FiO<sub>2</sub> adjustments followed by a first-order SpO<sub>2</sub> response. All response parameters differed between FiO<sub>2</sub> increments and decrements, with increments having a shorter delay, longer time constant and higher gain [2.9 (1.7-4.8) vs. 1.3 (0.58-2.6), p &lt; 0.05]. Gain was also higher in less mature infants and in the setting of recent SpO<sub>2</sub> instability, and was diminished with increasing severity of lung dysfunction. Intra-subject variability in all parameters was prominent. <b><i>Conclusions:</i></b> First-order SpO<sub>2</sub> responses show variable gain, influenced by the direction of FiO<sub>2</sub> adjustment and the severity of lung disease, as well as substantial intra-subject parameter variability. These findings should be taken into account in adjustment of FiO<sub>2</sub> for SpO<sub>2</sub> targeting in preterm infants.
DOI: 10.17632/nw9j7b2wbb
title: Intestinal Lactobacillus protects against neuroangiostrongyliasis in BALB/c mice through modulation of immune response

description: Reporting summary
DOI: 10.6084/m9.figshare.28927706.v1
title: Gene and repeat models and genome assembly of Guy11

description: The Guy11 strain was isolated from rice leaves, subjected to PacBio HiFi sequencing, and subsequently assembled using Canu. Gene prediction was performed with BRAKER3, and repeat annotation was carried out using RepeatMasker.
DOI: 10.6084/m9.figshare.29095634.v1
title: <b>Rapid lithium harvesting through standing solar thermal interfacial evaporation without brine discharge</b>

description: <b>Rapid lithium harvesting through standing solar thermal interfacial evaporation without brine discharge</b>
DOI: 10.17632/wrzzd94m4h
title: (DATASET) Innovative Capacity: Constructs and Determinants - G7 Countries

description: This dataset presents 21 innovation determinants data collected mainly from: (1) Global Innovation Index Reports published by the World Intellectual Property Organization; (2) Global Competitiveness Index 4.0 published by the World Economic Forum; (3) World Intellectual Property Organization (WIPO) and (4) World Bank, corresponding to Canada, France, Germany, Italy, Japan, United Kingdom and United States (G7) published from 2007 to 2022. 
These variables are (1) Intellectual Property Protection; (2) Imports of goods and services(% GDP); (3) High-tech imports (%); (4) Expenditure on education; (5) Gross domestic expenditures on research and development (GERD); (6) University–industry R&D collaboration; (7) GERD performed by business enterprise; (8) gross expenditure on R&D, % GDP; (9) university-industry R&D collaboration; (10) Full time researches (per million population); (11) Research institutions prominence; (12) State of cluster development and depth; (13) Scientific publications; (14) Patent applications; (15) Patents applications by origin; (16) Utility models by origin (Domestic res utility model ap/bn GDP PPP$); (17) High-tech exports ($); (18) ICT services exports (%); (19) Trademark application class count by origin; (20) Gross domestic product million PPP; and (21) Increase of GDP (%).
DOI: 10.17632/typp3nymmr
title: Survey data on the attitudes towards digital technologies and the methods of doing citizens’ (governmental) administration tasks

description: The digital transformation is present in the everyday life of innovation societies. Smart devices and applications are proliferating. But the digital solutions are not uniformly spread across society. Individuals have different attitudes towards digital devices and smart solutions. The formation of behavior and the making decisions on usage of smart devices are influenced by many factors. The digitalisation of public administration is taking place nowadays in all over the world. Members of innovative society have different attitudes towards new systems.. The challenge is that public administration, as a whole, must be accessible to everyone and digitisation must not leave out any marginalized group of people. The use of e-government developments, stakeholders and potential users should be monitored continuously. An important question is what factors influence the use of e-government systems, what helps and what hinders it. Identifying the pull factors will help to describe the potential customers of e-government developments. And clients who cannot be targeted by e-government developments also should be identified. The social context of the reception of the new developments is closely related to the presented database. The database can be used to find novel correlations between demographic variables, digital openness and attitudes, and administrative methods and channels.
DOI: 10.17632/vsxxrx3yk8
title: Zebrafish sperm morphology data

description: Zebrafish sperm morphology raw data
DOI: 10.6084/m9.figshare.22691338.v2
title: Untitled Item

description: The MIDOG++ dataset represents an extension of the data set used in the MIDOG 2021 and 2022 challenges. We provide region of interest images from 503 histological specimens of seven different tumor types with variable morphology: breast carcinoma, lung carcinoma, lymphosarcoma, neuroendocrine tumor, cutaneous mast cell tumor, cutaneous melanoma, and (sub)cutaneous soft tissue sarcoma. The human and canine samples were processed and stained at different human and veterinary pathology laboratories with standard H&E dye and digitized with different digital whole slide image scanners. We provide labels for 11,937 mitotic figures that have been differentiated against 14,351 imposter cells in a blinded consensus by two pathologists and a final decision by a third pathologist for disagreed labels.
DOI: 10.6084/m9.figshare.28052240.v2
title: A Mandibular Defect Dataset for Autonomous Reconstruction Planning in Oral and Maxillofacial Surgery

description: <b>The first</b> clinically derived Mandibular Defect Dataset, comprising <b>147</b> models of <b>various mandibular defects</b>. Each model is manually <b>annotated by experienced surgeons</b>, and all processing workflows strictly adhere to clinical standards. This dataset accurately represents the complexity of clinical defect boundaries and the diverse anatomical structures of individual patients, making it a valuable resource for <b>developing AI models</b> that exhibit improved generalizability and adaptability in <b>mandibular reconstruction</b>. Additionally, the dataset provides <b>HCL classification diagnoses</b> and relevant information for each defect model, thereby supporting more diverse clinical research in the future.
DOI: 10.17632/rdvt55szhr
title: Polycyclic aromatic hydrocarbons (PAHs): updated aspects of their determination, kinetics in the human body, and toxicity

description: Polycyclic aromatic hydrocarbons (PAHs) are legacy pollutants of a tremendous public health concern. They arise from natural and anthropogenic sources and are ubiquitously present in environments. Several PAHs are highly toxic to humans; some have carcinogenic and mutagenic properties. Moreover, higher harmful effects on human- and environment’s health have been attributed to the presence of HMW PAHs, i.e., PAHs with molecular mass greater than 300 Da. However, much more research on low molecular weight (LMW PAHs) is available. Besides, no HMW PAHs are on the priority pollutants list of the United States Environmental Protection Agency (US EPA), which is limited to only 16 PHAs. The restriction of analytical methodologies for separating and determining (HMW PAHs) and their potential isomers and the lack of readily available commercial standards make the research with HMW PAHs still challenging. Moreover, since most of the PAH kinetic data come from animal studies, our understanding of the behaviour of PAHs in humans is still minimal. Additionally, current knowledge of toxic effects after exposure to PAHs may be underrepresented since most studies focused on exposure to a single PAH. At the same time, information on PAH mixtures is very restricted. Thus, this review aims to critically assess the current knowledge of PAH chemical properties, their kinetic disposition, and toxicity to humans. Furthermore, future research needs to improve the missing information and minimize PAH exposure to humans are proposed.
DOI: 10.6084/m9.figshare.19499075.v1
title: Participant information sheet and informed consent for ASHA worker

description: This document include participant information sheet regarding the study details and informed consent form for ASHA workers from the rural areas of southern part of India
DOI: 10.6084/m9.figshare.22674814.v2
title: Muestra de comentarios sobre 'La Sirenita' [Sample comments on 'The Little Mermaid']

description: Sample comments.
DOI: 10.6084/m9.figshare.28350083.v1
title: Replication Data for: Policy Coordination Networks and Diffusion Patterns in China’s New-Generation Special Economic Zones: Evidence from Guangdong-Macao In-Depth Cooperation Zone in Hengqin

description: Replication Data for: Policy Coordination Networks and Diffusion Patterns in China’s New-Generation Special Economic Zones: Evidence from Guangdong-Macao In-Depth Cooperation Zone in Hengqin
DOI: 10.17632/8gvvnc3n2b
title: Khodakova Data

description: Data for master's thesis
DOI: 10.6084/m9.figshare.14837748.v2
title: Meteorological station data for Holocene Jet Transitions

description: Meteorological station data for Holocene Jet Transitions paper<br>