cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc27ghpx
title: CCDC 2069519: Experimental Crystal Structure Determination

description: Related Article: Cong-Cong Chen, Wei-Quan Lin, Yu-Wei Wen, Shi-Yang Wang, Hao-Jun Yin, Jin-Yan Li, Chun-Lin Ni, Wei Liu|2022|Polyhedron|227|116148|doi:10.1016/j.poly.2022.116148
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: 10.17632/s72t6rdxjf.1
title: Thermal tolerance responses of the two-spotted stink bug, Bathycoelia distincta (Hemiptera: Pentatomidae), vary with life stage and the sex of adults

description: Critical thermal limits
DOI: 10.17632/g7xcsd33kb.1
title: Value of Permanent Pathology for Debulk and Mohs Specimens during Mohs Micrographic Surgery for Cutaneous Squamous Cell Carcinoma

description: - Table I: Cohort Demographics
- Table II: Study Results. * Indicates statistical significance. ** Sentinel lymph node biopsy.
DOI: 10.17632/gj29ny68cf.1
title: OITO project

description: Data used to analyze the results of the OITO project.
DOI: 10.17632/2k375j6pz2.1
title: Wind Intermittency Costs

description: Replication files for the paper "Measuring the Impact of Wind Power and Intermittency"
DOI: 10.17632/ytt7shm3wj.1
title: Supplementary Table S1. Primers and cycle conditions used for polymerase chain reaction detection of enterotoxins genes, biofilm formation genes, MSCRAMMs genes, antiseptic resistance genes, antibiotic resistance genes, spa and agr typing.

description: Virulence and antimicrobial resistance genes profiles of spa type t605 methicillin-susceptible Staphylococcus aureus isolated from subclinical bovine mastitis
DOI: 10.17632/5bnf6nptfy.1
title: Dataset for "Key factors controlling biotite/silicate melt Nb and Ta partitioning: Implications for Nb−Ta enrichment and fractionation in granites"

description: This is the Supporting Information for the manuscript "Key factors controlling biotite/silicate melt Nb and Ta partitioning: Implications for Nb−Ta enrichment and fractionation in granites". This file includes supplementary tables S1-S10.
DOI: 10.17632/gykxw3hy68.1
title: Surface reaction rate data pertaining to heterogeneously catalyzed gas-phase combustion systems at different flow velocities

description: To obtain the solution of the surface reaction rate problem, numerical simulations are performed using fluid mechanics. The problem is solved using structured meshes. The mesh is refined in the computational domains of the catalytically active layers. A mesh independence study is carried out. The solution is independent of the mesh resolution. Numerical simulations are performed within ANSYS FLUENT. Boundary conditions are specified and physical properties are defined for the fluids, solids, and mixtures. Physical properties depend on temperature and composition. A piecewise-polynomial function is specified for the temperature dependence. To define composition-dependent properties for the mixtures, the mass-weighted-mixing-law is applied. The mathematical formalism developed to describe transport phenomena and chemical kinetics is implemented into ANSYS FLUENT. The computer code and its usage are fully documented. More specifically, ANSYS FLUENT is applied to define the terms in the equations relating to conservation, thermodynamics, chemical production rates, and equation of state, and then combine the results to define the problem involving surface chemistry. To describe the surface reaction mechanisms in symbolic form, the following information is required, including the thermochemical properties of surface species in the surface phases, names of the surface species, site densities, names of all surface phases, Arrhenius rate coefficients, reaction descriptions, and any optional coverage parameters.
Contributor: Junjie Chen, E-mail address: koncjj@gmail.com, ORCID: 0000-0002-5022-6863, Department of Energy and Power Engineering, School of Mechanical and Power Engineering, Henan Polytechnic University, 2000 Century Avenue, Jiaozuo, Henan, 454000, P.R. China
DOI: 10.17632/h4tkyd6vwj.1
title: Host-dependent resistance of Group A Streptococcus to sulfamethoxazole mediated by a horizontally-acquired reduced folate transporter - MS and NMR data

description: Metabolic profiling of MH-Bm and MH-Ox media. The differences in the susceptibility of TB08-2-14 to SXT on MHF-Ox and MHF-Bm media suggest differences in the composition of MH media from these different suppliers. To investigate this, we first examined the composition of MH base medium from each supplier using nuclear magnetic resonance (NMR) spectroscopy, revealing differences in the composition of MH base medium, with the MH-Ox medium containing higher levels of adenine, uracil and TRIS, while the MH-Bm medium contained higher levels of uridine, glucose and an unknown guanine moiety containing compound. However, we were unable to identify any major differences in folate pathway compounds. To further investigate the composition of MH-Ox and MH-Bm, untargeted metabolomics analysis was performed using LC-MS. As with NMR, LC-MS data showed differences in the medium following positive and negative ionisation, but did not detect differences in folate pathway intermediates. Untargeted LC-MS profiling followed by multivariate statistical analysis (principal component analysis (PCA) and orthogonal projections to latent structures discriminant analysis (OPLS-DA) and database peak annotation revealed significant differences in a number of analytes, including higher levels of guanosine, uridine, methionine and peptides Pro-Ile-Ile and Pro-Val-Ile in the MH-Bm medium, with the MH-Ox medium containing higher levels of adenine, uracil, pyrrolidonecarboxylic acid and citric acid. Further comparison of spectra against reference standards for folate pathway intermediates revealed no significant differences other than a slight increase in 5,10-methylene-THF in MH-Bm. Thus, while there were major differences in the gross composition of MH media from each supplier, we were unable to identify substantial differences in the concentration of folic acid or reduced folate derivatives that might explain the relative performance of each media for detecting ThfT-mediated SMX resistance.

1H NMR sample preparation: 1H NMR was performed on a 600 MHz Bruker Avance III HD spectrometer, equipped with a 5 mm BBI probe and fitted with a Bruker SampleCase set to 6 °C. Time domain data were Fourier transformed and processed manually using Bruker TopspinTM 3.6.2 or Bruker TopspinTM 4.1.3 to obtain phase and baseline corrected spectra. 

Standard preparation. Stock solutions were prepared at 1 mg/mL in DMSO, and further diluted to 10 ug/mL in methanol containing 0.1 % butylated hydroxytolunene (BHT) for LC-MS analysis. Sample preparation. Media samples were filtered and either directly injected for the detection of targeted tetrahydrofolic acid metabolites, or diluted 1 in 10 (v/v) with LC-MS grade water for untargeted profiling. Preparation was identical for both methods.
DOI: 10.17632/6pzp98jn3f.1
title: Source Code of Machine Learning Algorithm

description: Machine learning was used to model associations between exercise performance and metabolite responses. Model variables included metabolite response to exercise expressed as log2([post-exercise]/[pre-exercise]) (independent variable), VO2max, and RQ. Due to small sample size, samples were randomly sampled without replacement for 5 unique training and testing sets of combined RT and CT (80/20 split). Gradient boosting regression tree (GBRT) was used for machine learning analyses (https://scikit-learn.org/stable/modules/ensemble.html#gradient-tree-boosting). For each training/testing set split, the lambda parameter was tuned based on the training set only using 10-fold cross-validation. All correlation analyses with model predictions are based on testing set predicted values. Predictive performance was evaluated based on the Pearson correlation coefficient between the predicted values and actual values. The SHAP (SHapley Additive exPlanations) feature values provided multiple explanation for the models, and were calculated to evaluate the interpretation of top 20 metabolites contributed significantly to the predicted models. The Force plot algorithm was used to calculate the coefficients of potential markable contributors to predict VO2max or RQ. All these calculations and analyses were performed in Python using Scikit-learn database (https://scikit-learn.org).
DOI: 10.17632/c2wvjt879x.1
title: Trends in reptile adenovirus prevalence indicate low screening of pathogens worldwide and high propagation risks in China

description: We focused on Chinese reptile trade through online monitoring and assessed the potential risks of pathogens through transmission. These data were collected from the three main Chinese online trade platforms, Taobao, Jingdong, and Pinduoduo. We screenshot every record that showed species and transaction and included it in this file.
DOI: 10.17632/2w2vtc7gcn.1
title: JESHA antimony toxicity

description: Data for antimiony toxicity
DOI: 10.17632/cxrxg63jpv.1
title: Using network analysis and machine learning to identify the ingredients, targets, and modules of Wendan decoction in treatment of neurological diseases

description: Here is the supporting tables for the article. The twelve supplementary tables are given as 12 excel documents, separately.
DOI: 10.17632/rxzpf7453c.1
title: LpPb and dPb dataset for 'Glacier-derived particles as a regional control on marine dissolved Pb concentrations'

description: The file contains labile particulate Pb (LpPb) contents of selected sediment samples from Svalbard and Greenland areas, and variation of dissolved Pb (dPb) concentrations in resonse to different conditions of sediment load, inubation time and temperatures during incubation of these sediments in aging seawater. LpPb for sediment samples was determined following a 2 hour weak acid leach (Berger et al., 2008). dPb concentration was determined as per Rapp et al., (2017) with calibration via standard addition. This dataset is submitted for Jana Krause, Xunchi Zhu, Juan Höfer, Eric P. Achterberg, Anja Engel, Lorenz Meire, Alice E. Stuart-Lee, Mark J. Hopwood*, Glacier-derived particles as a regional control on marine dissolved Pb concentrations.
DOI: 10.17632/jyrtnckjh5.1
title: Feature reflectance and its characteristic waveband

description: The reflectance of bright areas vegetation, shadow areas vegetation and water bodies are extracted from the ZY1-02D AHSI images, the feature bands in the red and near-infrared regions that are sensitive to features are extracted by the algorithm.
DOI: 10.17632/p6j64wrrfg.1
title: DNA and protein sequences of the phylomarker OG0003269 (transmembrane protein) for members of the Agrobacterium genus.

description: This repository contains partial results from the protein orthology assessment and genome-wide associations that led to the discovery of a phylomarker to study the evolution of Agrobacterium genus. Supplementary material for "Phylogenomics reveals insights into the functional evolution of the Agrobacterium genus and enables the description of Agrobacterium divergens sp. nov."
DOI: 10.17632/m68xz4w4t9.1
title: Five types of energy consumption in Korea

description: 5-ECK consists of five types of energy sources: 1) electricity, 2) gas, 3) water, 4) hot water, and 5) heating. However, because gas was not collected for the full period, we used the remaining four data types. This dataset includes a total of 47,117 records observed from Jan. 2020 to Mar. 2021 with a 15-minutes time period. We transformed the time period of the energy consumption from 15 minutes to an hour consistently. Here, missing values are filled based on linear interpolation, and min-max scaling is used for normalization.
DOI: 10.17632/m68xz4w4t9.2
title: Various types of energy consumption in Korea

description: Four types of Energy Consumption in Korea (4-ECK-2021) Dataset
This dataset includes three types of energy sources: 1) electricity, 2) water, 3) hot water, and heating. It has a total of 47,117 records observed at 15-minute intervals from Jan. 2020 to Mar. 2021. To define another dataset that contains only correlated energy sources where the Pearson correlation coefficient is more than 0.2, we redefine 4-ECK-2021 as 3-ECK-2021 by excluding a non-correlated energy source. For data preprocessing, we transformed the period from 1 or 15 minutes to an hour consistently and missing values were filled based on linear interpolation. Min-max scaling was used for normalization. 

Five types of Energy Consumption in Korea (5-ECK-2022) Dataset
This dataset includes five types of energy sources: 1) electricity, 2) gas, 3) water, 4) hot water, and 5) heating. It has a total of 13,584 records observed at hourly intervals from Aug. 2020 to Feb. 2022. We redefine 5-ECK-2022 as 3-ECK-2022 and 4-ECK-2022 by excluding non-correlated energy sources. Specifically, a heating energy source, which is the weakest correlated with the other energy sources, is excluded from 4-ECK-2022; heating and hot water energy sources are excluded from 3-ECK-2022. Missing values were replaced with one week ago records and min-max scaling was applied for normalization.
DOI: 10.17632/fhvzs37vn6.1
title: Schmidt number data pertaining to autothermal methanol steam reforming reactors at different reaction temperatures

description: To obtain the solution of the Schmidt number problem, numerical simulations are performed using fluid mechanics. Schmidt number is a dimensionless number defined as the ratio of momentum diffusivity and mass diffusivity, and it is used to characterize fluid flows in which there are simultaneous momentum and mass diffusion convection processes. The Schmidt number is the ratio of the shear component for diffusivity to the diffusivity for mass transfer. The Schmidt number physically relates the relative thickness of the hydrodynamic layer and mass-transfer boundary layer. The heat transfer analog of the Schmidt number is the Prandtl number. The ratio of thermal diffusivity to mass diffusivity is the Lewis number. The reactor system comprises two separate sets of flow channels, which are located between spaced, highly heat-conductive metal or ceramic separating walls. The medially located separating walls have different catalysts on opposed surfaces. These catalysts are selected for the particular reaction taking place in the adjacent reaction zone. The reactor provides for continuous and simultaneous reaction of two different process reaction streams in the channels defined between the walls, wherein a first process reaction stream undergoes a high temperature exothermic reaction in the first set of flow channels and a second process reaction stream undergoes an endothermic heat-consuming reaction in the second set of flow channels separated from the first set of flow channels by the heat transfer separating walls. More specifically, the reactor system includes a set of reforming channels for steam reformation of methanol and a set of oxidation channels for heating the reactor system to operating temperature. A separating wall therefore separates two adjacent reaction zones and also functions to transfer heat from the oxidation occurring at the catalyst surface in the oxidation zone directly to the reforming catalyst coated on the opposed surface. The reactor system is operated using excess air and water steam. Methanol and air are mixed homogeneously and the mixture is fed directly into the oxidation channels in a specific ratio.
Contributor: Junjie Chen, E-mail address: koncjj@gmail.com, ORCID: 0000-0002-5022-6863, Department of Energy and Power Engineering, School of Mechanical and Power Engineering, Henan Polytechnic University, 2000 Century Avenue, Jiaozuo, Henan, 454000, P.R. China
DOI: 10.25422/azu.data.20736700.v2
title: Plant and Animal Phenophase Definitions

description: The USA National Phenology Network’s (USA-NPN) standardized phenology monitoring protocols were designed to capture the seasonal life cycle stages of plants and animals across polar, temperate, tropical, and water-limited ecosystems. The protocols can be tailored to any sampling density or frequency and can be used either within the <em>Nature’s Notebook</em> observation program, or independently. The resulting data can be used to answer a variety of scientific and management questions from local to continental scales. The protocols are specific to major taxonomic groups and consist of a suite of “phenophases”. A phenophase is an observable stage or phase in the annual life cycle of a plant or animal that can be defined by a start and end point. For plants, phenophases identify the presence or absence of structures (e.g., leaves, flowers, fruits) on an individual plant that is observed repeatedly over the course of one or more growing seasons. For animals, phenophases identify the presence or absence of behaviors such as breeding, migration, and use of food resources. Intensity or abundance measures for each phenophase indicate the degree to which the phenophase is expressed. They represent either an estimate of the number of plant structures or individual animals that are present or engaged in a behavior, or an estimate of the percentage of plant structures observed in a particular state (e.g., percent of flowers that are open). In this document, the phenophases in use for major plant and animal taxonomic groups are summarized in tables, and the full phenophase definitions and associated intensity or abundance measures are included in subsequent sections. <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: 10.5281/zenodo.7191060
title: magnolia_virginiana_decontaminated_gx.fasta.gz

description: .
DOI: 10.5281/zenodo.7191059
title: magnolia_virginiana_decontaminated_gx.fasta.gz

description: .
DOI: 10.25921/qs38-9q47
title: EM710 Water Column Sonar Data Collected During NF2106
DOI: 10.17632/fsbxvxppwk.1
title: The mouth parts of Curculioninae, part 2

description: I am placing here pictures of the mouth parts of 54 species from 41 genera belonging to 17 tribes of the subfamily Curculioninae from the Holarctic. The structure of the mouth parts of this taxonomic group is practically unexplored. These data will clarify the taxonomic framework of the taxa represented and contribute to a better understanding of the phylogeny of Curculioninae
DOI: 10.17632/gs6wxvcvs6.1
title: Data from fluorescence spectroscopy, isothermal titration calorimetry, voltammetry, and vesicle electrodeformation for characterisation of lipid membranes in the presence of VV-hemorphin-5 analogues with nociceptive activity

description: Datasets contain raw and analysed data on physicochemical parameters of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) membranes containing VV-hemorphin-5 (Val-Val-Tyr-Pro-Trp-Thr-NH2) and analogues, modified at position 1 and 7 by the natural amino acid isoleucine or the non-proteinogenic 2-aminoisobutyric, 2,3-diaminopropanoic or 2,4-diaminobutanoic amino acids. Peptides were chosen and their notation was kept according to [P. Todorov, P. Peneva, D. Pechlivanova, S. Georgieva, E. Dzhambazova, Synthesis, characterization and nociceptive screening of new VV-hemorphin-5 analogues, Bioorganic & Medicinal Chemistry Letters, 28 (2018) 3073-3079.]. 
Dataset 1 provides analysed data from Laurdan and di-8-ANEPPS fluorescence spectroscopy of large unilamellar vesicles (LUV) in the presence of valorphins. Laurdan normalised spectra and general polarisation data are reported as well as di-8-ANEPPS fluorescence intensity ratio and POPC membrane dipole potential of all valorphins studied.
Dataset 2 contains analysed data on specific electrical capacitance of POPC-valorphin membranes acquired from frequency-dependent deformation of giant unilamellar vesicles (GUV) in AC field.  For each membrane composition studied vesicle radii are given together with the intermediate "critical" frequencies of the AC field applied at which vesicles assume quasispherical shapes according to [P.F. Salipante, R.L. Knorr, R. Dimova, P.M. Vlahovska, Electrodeformation method for measuring the capacitance of bilayer membranes, Soft Matter, 8 (2012) 3810-3816.]. Information about the conductivity of the aqueous solutions is included. Dataset 3 describes analysed electrokinetic data of POPC-valorphin LUVs including vesicles sizes and zeta potential values. Dataset 4 reports cyclic voltammetry data of valorphin analogues in supporting electrolyte (0.1 mol L-1 phosphate buffer solution, pH 6.78 ± 0.01) recorded on a Metrohm 797 (Metrohm, Switzerland) VA trace analyser and a 797 VA stand with a Pt-disk electrode with 3 sq. mm area as a working electrode, Ag/AgCl (3 mol/L KCl) as a reference electrode and a platinum wire serving as a counter electrode. Voltamperograms were recorded in square wave voltammetric (SWV) mode at 50 Hz frequency and 2 mV potential increments corresponding to scan rate of 100 mV/s. The required aliquotes of the standard analyte solution (50-100 µL) were measured by subsequently adding them in the solution of the supporting electrolyte. Data are reported as the mean value of three independent measurements. 
Dataset5 contains isothermal titration calorimetry (ITC) raw data of injection heats Q of POPC LUVs' dilution in valorphin aqueous solutions. Blank data are provided from control measurements in bidistilled water. Lipid vesicles as aliquots of 2 µL were injected in 25 steps with 300 s interval and stirring speed of 250 rpm.