cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/3749r4k243
title: Data for:  Comparison of Pure Component Thermodynamic Properties from CHEMCAD with Direct Calculation using the Soave-Redlich-Kwong Equation of State

description: These calculations accompany the paper “Comparison of Pure Component Thermodynamic Properties from CHEMCAD with Direct Calculation using the Soave-Redlich-Kwong Equation of State," submitted to Chemical Data Collections, to replicate the data in the paper.

Abstract of Original Paper:  Gas-phase thermodynamic properties are routinely calculated with equations of state in process design software such as CHEMCAD[1], and users should be able to verify the calculations.  In a previous study, we reproduced the enthalpy, entropy, compressibility factors, and fugacity coefficients obtained from CHEMCAD using the Lee-Kesler method [2,3], and later extended this study to include the Peng-Robinson equation of state {4,5].  An interesting feature of the earlier work is that compressibility and fugacity coefficients in CHEMCAD did not match up precisely with our independent calculations.  We therefore extended the study to include the Soave-Redlich-Kwong (SRK) equation of state.  Our results show consistency for most of the 48 molecules studied, with percent errors decreasing significantly for the SRK method to generally less than ~3x10-6% compared to about 0.3-1.8% for the Lee-Kesler and Peng-Robinson methods.  Unlike the previous two studies, we now see nearly perfect agreement in the compressibility and fugacity coefficient.  Furthermore, we show that compressibility and fugacity coefficient remain constant in CHEMCAD even when the equation of state is changed.  For enthalpy, while the results are much closer than in the previous studies, we see deviations for methane, air, carbon monoxide, carbon dioxide, nitrogen, and oxygen.  Discrepancies in entropy were also observed for bromine, carbon dioxide, chlorine, hydrogen sulfide, and nitrous oxide.     

The files provided here were used to develop the dataset in the paper, which is a comparison of thermodynamic properties of 48 molecules calculated with the Soave-Redlich-Kwong Equation of State.  The calculations for methane are provided here.

To use the calculation in either platform (Mathematica or MATLAB), users must specify two process temperatures and pressures, critical temperature and pressure, acentric factor, enthalpy and Gibbs energy of formation, and ideal gas heat capacity polynomials for DIPPR equation 107.  A different equation my be used if programmed in by the user.  When calculating compressibility, a plot is presented for the user to examine the number of roots found by the program and to select the correct root for further processing.
The CHEMCAD 7.1.8 file is also provided for methane.  In this file, a data map is used to export results to Microsoft Excel to obtain more significant figures in the result. The data map is found in the CHEMCAD explorer panel and is called “DataMap1.”  Clicking this after running the file will open the results spreadsheet.  Users should note that enthalpy units must be set to kJ.

References in this document are cited in the order listed below.
DOI: 10.6084/m9.figshare.24355237.v2
title: <b>chromosome-level genome assembly </b><b>of the mud carp (</b><b><i>Cirrhinus molitorella</i></b><b>)</b>

description: We constructed high-quality chromosome-level genome assembly of <i>C. molitorella</i> using PacBio sequencing and Hi-C data. The evolutionary history of <i>C. molitorella</i> was studied by inferring dynamic changes of ancestral population sizes. The genetic basis of adaptation in <i>C. molitorella</i> was dissected by performing gene family expansion and contraction analyses and identifying positively selected genes (PSGs). This provides the basis for the ecological adaptability of <i>C. molitorella</i>.
DOI: 10.17632/wrjgynvthf
title: Energy Gen-AI Technology Framework: A perspective of energy efficiency and business ethics in operation management (Supporting documents)

description: Supporting documents related to the paper: "Energy Gen-AI Technology Framework: A perspective of energy efficiency and business ethics in operation management"
DOI: 10.17632/z79yr5mpf4
title: Assessing the ability of an artificial intelligence chatbot to translate dermatopathology reports into patient-friendly language: a cross-sectional study

description: We explore AI chatbot, ChatGPT4's ability to translate dermatopathology reports. This is a cross-sectional study where 18 dermatologist, dermatolopathologist, and dermatology resident/fellow were surveyed on ChatGPT4's translation of 12 stimulated reports, consists of both neoplasm and inflammatory conditions, on the basis as completeness, accuracy, understandability, and likelihood of causing harm.
DOI: 10.17632/s3cdwjthnv
title: Digital transformation and strategic risk taking dataset

description: This article presents a comprehensive dataset from annual reports, the China Stock Market and Accounting Research Database, and the Wind database, focusing on digital transformation and strategic risk taking.
DOI: 10.6084/m9.figshare.11452269.v1
title: Growth and chrome content of castor bean plants cultivated in soil with application of tannery residues and coal mining waste

description: ABSTRACT The production of waste has been increasing in direct proportion to the industrialization of the countries. Therefore, the adequate disposal of these wastes is an issue widely discussed among environmental agencies. Thus, the aim of this work was to study the residual effect of successive additions of tannery and coal mining waste on the chemical properties of the soil and the accumulation of chromium in castor bean plants. The treatments applied under field conditions were: T1 - control, that is, soil without fertilization; T2- soil fertilized with nitrogen-phosphorus-potassium (NPK) + limestone to reach pH 6.0; T3 - soil mixed with tannery sludge at a dose adequate to reach pH 6.0 + PK; T4 - soil receptor of twice the dose of tannery sludge used in treatment 3 + PK; T5 - soil mixed with coal residue + NPK + limestone in an amount adequate to reach pH 6.0; T6 - soil mixed with coal residue + tannery slurry at a dose adequate to reach pH 6.0 + PK; T7 - soil mixed with chrome sawdust + NPK + limestone in adequate quantity to reach pH 6.0; T8 - soil mixed with mineral Cr + tannery sludge at a dose adequate to reach pH 6.0 + PK. In the field, the soil received the different treatments. Subsequently, samples of this soil were conditioned in pots and the experiment with the plants was conducted in a completely randomized design, with three replicates per treatment. Subsequently, samples of this soil were placed in pots and the experiment with plants was conducted in a completely randomized design, with three replications per treatment. The dry matter yield showed that the application of chrome sawdust (T7) provided the highest growth of the castor bean, as well as the higher levels of P in its tissue. Chromium content in the aerial part of the plants did not reach levels that can be considered as contamination of these plants. The distribution of chromium in the different parts of the castor bean plants demonstrated the possibility of future use of the grains to produce biodiesel.
DOI: 10.6084/m9.figshare.28909348
title: Additional file 2 of Prion replication in organotypic brain slice cultures is distinct from in vivo inoculation and is species dependent

description: Additional file 2.
DOI: 10.6084/m9.figshare.28909348.v1
title: Additional file 2 of Prion replication in organotypic brain slice cultures is distinct from in vivo inoculation and is species dependent

description: Additional file 2.
DOI: 10.25403/upresearchdata.28505099.v1
title: The financial data for a new financial computable general equilibrium model for South Africa

description: This data was used for the development of a dynamic financial computable general equilibrium (CGE) model for South Africa. The new hybrid model, the University of Pretoria General Equilibrium Finance Model (UPGEM-F), integrates real and financial aspects of the South African economy and is based on the Center of Policy Studies (CoPS) CGE modeling approach. The data comprises two sets: the financial data and the real economy data. The two sets were integrated to develop the base for a hybrid CGE model that includes the aspects of real and the financial economy of South Africa for the year 2017.
DOI: 10.6084/m9.figshare.7244441.v1
title: Indicators of burnout in Primary Health Care workers

description: ABSTRACT Objective: to analyze the indicators of burnout peculiar to health workers from units of Primary Health Care. Method: integrative review of the literature structured in the stages: guiding question; search; categorization of studies; assessment; discussion; and interpretation of results, and synthesis of knowledge. Search for original articles and reviews published from 2000 to 2016, in Portuguese, English and Spanish, in the main databases of the health area. Descriptors used: Nursing, Burnout and Primary Health Care. Results: 14 articles met the proposed inclusion criteria, six (42.85%) presented a sample of nurses and eight (57.15%) health professionals. Conclusion: Primary Health Care workers are exhausted due to inadequate working conditions characterized by the lack of human and physical resources that leads to work overload, workplace violence and difficulty with teamwork, despite being satisfied with the work environment.
DOI: 10.6084/m9.figshare.27643428.v1
title: Raw_Material_C_Arvensis.xlsx

description: This database contains the raw data for the study ''Formulation of a biological sunscreen from <i>Calendula arvensis</i> capitula extracts: Antioxidant, anti-ageing, surface tension and UVB protection properties assessed''. The data include results obtained for extraction method yields and biological activities, including phenolic compound content, antioxidant activity and enzyme inhibition. Triplicate results for each test along with calculation of their average and standard deviation.
DOI: 10.17632/s8vgfy9xz5
title: Raw mass spectrometry data of recombinant human a1B/b2B-tubulin

description: We run about 5 μg of recombinant human a1B/b2B-tubulin on a 4-20% Tris-Glycine SDS-PAGE gel. The tubulin band is excised, reduced, alkylated, trypsinized, and analyzed by tandem LC-MS/MS.
DOI: 10.17632/gm7z58b95v
title: Supplementary information Carlein et al.

description: RNA sequencing from islets of 20 weeks old Taz-KD mice versus control
RNA sequencing from Taz-KD islets vs control after in vitro Taz-KD
DOI: 10.6084/m9.figshare.24434926.v1
title: Supplementary Material for: Efficacy and safety of ferric citrate on hyperphosphatemia among Chinese patients with chronic kidney disease undergoing hemodialysis: a phase III multicenter randomized open-label active-drug controlled study

description: Background: Hyperphosphatemia in CKD patients is positively associated with mortality. Ferric citrate is a potent phosphorus binder that lowers serum phosphorus level and improves iron metabolism. We compared its efficacy and safety with active drugs in Chinese CKD patients with hemodialysis. Trial design: This is an open-label active-drug-controlled multicenter randomized study. Methods: Chinese patients undergoing hemodialysis were randomized into two treatment groups in a 1:1 ratio receiving either ferric citrate or sevelamer carbonate respectively for 12 weeks. Serum phosphorus levels, calcium concentration, and iron metabolism parameters were evaluated at every two weeks. Frequency and severity of adverse events were recorded. Results: 217 (90.4%) patients completed the study, with balanced demographic and baseline characteristics between two groups. Ferric citrate decreased the serum phosphorus level to 0.59±0.54mmol/L, comparable to 0.56 ± 0.62 mmol/L by sevelamer carbonate. There was no significant difference between two groups (P&gt;0.05) in the proportion of patients with serum phosphorus levels reaching the target range, the response rate to the study drug, and the changes of corrected serum calcium concentrations, and intact-PTH levels at the end of treatment. The change of iron metabolism indicators in the ferric citrate group were significantly higher than those in the sevelamer carbonate group. There are 47 (40.5%) patients in the ferric citrate group, and 26 (21.3%) in the sevelamer carbonate group experienced drug-related TEAEs, most were mild and tolerable. Common drug-related TEAEs were "gastrointestinal disorders", including diarrhea (12.9% vs. 2.5%), feacal discoloration (14.7% vs. 0%), and constipation (1.7% vs. 7.4%) in ferric citrate and sevelamer carbonate group respectively. Conclusion: Ferric citrate capsules have good efficacy and safety in the control of hyperphosphatemia in adult patients with CKD undergoing hemodialysis. Efficacy is not inferior to sevelamer carbonate. The TEAEs were mostly mild and tolerated by the patients.
DOI: 10.17632/rghgjjfvj4
title: #KnockOutHPV

description: Investigator-created likert-type survey
DOI: 10.6084/m9.figshare.28909386
title: Additional file 7 of Multi-omic approach to characterize the venom of the parasitic wasp Cotesia congregata (Hymenoptera: Braconidae)

description: Supplementary Material 7: Additional file 7: Expression levels of 48 genes of interest in ovary (Ov1, Ov2) and venom gland (Vg1, Vg2) transcriptomes. raw_count: number of reads obtained from each sample; norm_cpm: counts per million; norm_cpm_av: average between the norm_cpm values of two replicates for each tissue (venom gland and ovary); Ov: ovary; Vg: Venom gland
DOI: 10.6084/m9.figshare.28909386.v1
title: Additional file 7 of Multi-omic approach to characterize the venom of the parasitic wasp Cotesia congregata (Hymenoptera: Braconidae)

description: Supplementary Material 7: Additional file 7: Expression levels of 48 genes of interest in ovary (Ov1, Ov2) and venom gland (Vg1, Vg2) transcriptomes. raw_count: number of reads obtained from each sample; norm_cpm: counts per million; norm_cpm_av: average between the norm_cpm values of two replicates for each tissue (venom gland and ovary); Ov: ovary; Vg: Venom gland
DOI: 10.17632/f6h8gfhsmf
title: Data for: A fuzzy c-means algorithm based on the relationship among attributes of data and its application in tunnel boring machine

description: The codes and datasets of the SVR-FCM algorithm.
DOI: 10.15468/dl.3sqqdu
title: Occurrence Download

description: A dataset containing 13315 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Observation, Human Observation, Machine Observation, Living Specimen)"
 ]
 }
 },
 "TaxonKey is Primula veris L."
 ]
}

 The dataset includes 13315 records from 232 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009232-250426092105405/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.17632/zwrsn5k9xd
title: Calcs_WPO_FUEL_2023

description: Calculations for the article "An on-road experimental emissions evaluation of a diesel engine fueled with pyrolysis oil from waste plastics, pure and blended with biodiesel - A Mexican case"
DOI: 10.6084/m9.figshare.28029188.v1
title: Time budget_events.xlsx

description: Dataset containing behavioral observations of juvenile common carp. The data is associated with a research manuscript.
DOI: 10.17632/ysh5xvc777
title: To explore the impact of volatility on stock price trajectories using Geometric Brownian Motion

description: Synopsis: These scenarios investigates the effect of volatility ({of 0.10, 0.14, 0.19, 0.23, 0.28, 0.32, 0.37, 0.41, 0.46, and 0.50}) on stock price simulations through Geometric Brownian Motion (GBM). The simulated stock price trajectory showcases the potential outcomes of a stock's movement over a defined time period.

Key Observations:

• Volatility Impact: As expected, higher volatility leads to a wider range of potential price movements. Increased volatility is represented by a more spread-out and erratic trajectory, signifying higher uncertainty in the stock's future path.
• Fluctuations and Risk: The scenario demonstrates increased fluctuations in stock price with higher volatility. The substantial fluctuations reflect higher risk associated with the stock, implying greater unpredictability in its value.
Interpretation:
• Risk Assessment: Higher volatility, as depicted in this scenario, indicates a riskier investment. The wider spread of potential outcomes emphasizes the uncertainty in the stock's future price.
• Investment Consideration: For risk-averse investors, lower volatility scenarios might be preferable due to their smoother and more predictable price trajectories. Conversely, those seeking higher potential returns might favour scenarios with higher volatility, despite the increased risk.

Take away: This simulation highlights the significant influence of volatility on stock price trajectories. Understanding and assessing volatility is crucial for making informed investment decisions, balancing risk tolerance with potential returns.
DOI: 10.21233/530c-nq22
title: Hexigten Banner ostracode surface sample dataset

description: Raw data for the Hexigten Banner ostracode surface sample dataset submitted to the Neotoma Paleoecology Database. Data is available through the landing page in JSON format. The landing page referenced by the DOI also contains links to publications and a map-based viewer for the dataset. The Neotoma Paleoecology Database maintains a homepage at https://www.neotomadb.org.
DOI: 10.17632/rtkshph9px
title: Data for: FASTIGUE: A Computationally Efficient Approach for Simulating Discrete Fatigue Crack Growth in Large-scale Structures

description: FASTIGUE_FE_data includes the auxiliary strain energy release rates in the nodes along the two crack fronts for the crack location permutations. SERRs obtained from finite element analyses of the blade model.
FASTIGUE_Source_code includes two Matlab scripts: 
1. ENRRT_surface_fit.m produces the continuous surfaces fitted to the auxiliary data (see FASTIGUE_FE_data.m)
2. FASTIGUE_crack_growth_module.m calculates fatigue crack growth based on growth parameters and the surfaces provided by ENRRT_surface_fit.m
Fig_A1_Data_and_code includes the experimental data taken from [34] and the curve fitting script Fatigue_parameters.m to produce Fig. A1.
DOI: 10.6084/m9.figshare.21507735.v1
title: Identifying potential locations for ecotourism development in Batticaloa District

description: This study aims to identify potential locations for ecotourism development in the Batticaloa District, using GIS-AHP spatial analysis. Five thematic layers were considered throughout this analysis: landscape, protected area, topography, accessibility, and community characteristics. The thematic layers were given appropriate weights and integrated into the GIS through the weighted overlay analysis.
DOI: 10.17632/f2nfwr83jg
title: Psychological resilience can reduce emotional investment in Instagram for general users

description: This is a dataset that includes psychological resilience, emotional investment in Instagram, and social support.
DOI: 10.6084/m9.figshare.14442287.v1
title: GSE103322

description: Head and neck cancer cells sequenced from humans.<br>
DOI: 10.17632/3wg44253rp
title: Sn K-edge XANES spectra

description: Sn K-edge XANES spectra of GeSn micro-disks and layers. Obtained in the beamline ID16B at the ESRF. Spatial resolution of 100x100 nm^2 Room temperature Energy resolution: 1 eV
DOI: 10.17632/cxgcj3s8t3
title: FBN2 variants in patients with CCA

description: This dataset include 10 variants in 10 patients diagnosed with Congenital Contractural Arachnodactyly.
DOI: 10.17632/xxkyrxwkkv
title: China 160 stations temperature and rainfall data and codes for prediction.

description: China temperature and rainfall data in 160 stations. And codes by matlab software for EOF, SVD, forecast_model.
They are procedures of using autumn sea ice to predict anomalies of winter temperature in China.
DOI: 10.6084/m9.figshare.7798517.v1
title: Gabryschetal_Change_of_mental_Health_during_Imprisonment2018.sav

description: Minimalized data set of the study Gabrysch et al. - Mental health and mental health symptoms during imprisonment - a three-year follow-up study <br>
DOI: 10.6084/m9.figshare.16838248.v1
title: Supporting Data "Photon-number entanglement generated by sequential excitation of a two-level atom"

description: Photon correlation histograms for different experimental conditions, see supplementary figure 3 of the paper "Photon-number entanglement generated by sequential excitation of a two-level atom". The two data sets (sortedg3_1ns.txt and sortedg3_32ps.txt) include different correlation time (1 ns and 32 ps, respectively) and different delay windows (+/- 100 ns and +/- 20 ns, respectively). The compressed file data_pipi_selfhomodyne.zip contains the coincidence count data after Hong-Ou-Mandel interference for the double pi-pulse sequence.
DOI: 10.17632/nt6j9c8653
title: MDDVRPSRCV1_Test_Instance

description: The proposed test instance is aimed towards VRP problem that addressed in general the multi depots, homogeneous/ heterogeneous vehicles, as well as a set of road capacity for different edges that may or may not sustained a certain level of damages. We apply this dataset for the application of routing under disaster scenario that speaks for the damaged and limited capacity of the edges/ roads in the road network.

The instance problem consists of road network mapped in Euclidean distance where the road capacity of edges, depots, shelters, and connecting nodes coordinates as well as demand of shelters are fixed.

Meanwhile the "damage" file addressed the damage value of edges within the network due to an event triggered from a single point.

This proposed instance is made possible through the author: Anuar, Wadi Khalid, and his PhD research supervisor: Lai Soon, Lee, as well as the contributing instituition: Universiti Utara Malaysia (affiliated to author) & Universiti Putra Malaysia (affiliated to research instituition)
DOI: 10.17632/8yth3ybmww
title: JAAD Supplemental: Clinical Characteristics and Outcomes of Genital Pyoderma Gangrenosum - a Systematic Review

description: Additional information regarding the article "Clinical Characteristics and Outcomes of Genital Pyoderma Gangrenosum - a Systematic Review," including data table, methods, and PRISMA chart.
DOI: 10.17632/hd7gh8nc46
title: JDS22271

description: Supplementary material for JDS22271 (Selective treatment of nonsevere clinical mastitis does not adversely affect cure, somatic cell count, milk yield, recurrence, or culling: A systematic review and meta-analysis).
DOI: 10.6084/m9.figshare.3563658.v1
title: Appendix C. The relationships of response ratio of N:P ratio (RRN:P) with that of N pool or P pool (RRNp or RRPp) in cropland, grassland, and forest ecosystems, respectively, under elevated CO2 in different ecosystem types.

description: The relationships of response ratio of N:P ratio (RRN:P) with that of N pool or P pool (RRNp or RRPp) in cropland, grassland, and forest ecosystems, respectively, under elevated CO2 in different ecosystem types.