cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/c8wfy5nt5c.2
title: Predicting Toxicity of Endocrine Disruptors and Blood-Brain Barrier Permeability using Chirality-Sensitive Descriptors and Machine Learning

description: Estrogen receptor (ER) mediated endocrine disruption and blood-brain barrier (BBB) permeability are two crucial pharmacological endpoints that must be assessed early on for any drug candidate. However, experimental testing is time-consuming and expensive, and in recent years, Quantitative Structure-Property Relationships (QSPRs) have emerged as a viable in silico alternative. However, most QSPR models reported on ER toxicity and BBB permeability of these studies have been carried out using 2D descriptors which do not account for 3D structure, whereas it has been established that ER binding and BBB permeability are stereoselective processes in which the spatial arrangement of atoms in the molecule plays a key role. This work presents the application of a chirality-sensitive 3D QSPR methodology entitled ‘EigenValue ANalysiS (EVANS). The EVANS methodology combines information extracted from 3D molecular structures with 2D physicochemical properties to generate eigenvalues, which are used as descriptor variables in QSPR analyses. For chiral compounds, EVANS computes descriptors generated from ‘enantiomeric ensembles’ by considering distance attributes from a plethora of enantiomeric states, thereby accounting for the contributions of multiple enantiomeric states towards a particular biological endpoint. We deploy the EVANS methodology using machine learning algorithms to build predictive QSPR models for estrogen receptor (ER) mediated endocrine disruption/toxicity and BBB permeability. Regression analyses of ER binding affinities of a dataset of 132 chemical entities built with the support vector regression algorithm returned a robust and predictive model. Classification models for BBB permeability on a dataset of 607 chemicals also showed high prediction accuracy, with the artificial neural network model showing the best performance (Accuracy=0.85, AUC=0.82, precision=0.85, F1 score=0.89). For comparison, conventional 2D QSPR models were also built for these endpoints, and it was observed that EVANS is superior to standard 2D QSPR. Our results demonstrate that the EVANS methodology produces robust models and such chirality-sensitive methods can be useful tools to design safe and effective drugs.
DOI: 10.5281/zenodo.6473953
title: SSP2-4.5 Simulations with CESM2(WACCM6)

description: SSP2-4.5 simulations with CESM2(WACCM6). Dataset includes surface temperature, precipitation, and SO4. Data accompanies the Assessing Responses and Impacts of Solar climate intervention on the Earth system with Stratospheric Aerosol Injection (ARISE-SAI) simulations: https://www.cesm.ucar.edu/projects/community-projects/ARISE-SAI/
DOI: 10.17632/549yvgmvyk.1
title: Data for: Improved design process of dry-running radial plastic plain bearings by coupling laboratory tests and component simulation

description: In order to support the design process of dry sliding polymeric journal bearings, a novel hardware-in-the-loop process has been developed:

M. Fickert, A. Gebhard, Improved design process of dry-running radial plastic plain bearings by coupling laboratory tests and component simulation, 61. Tribologie-Fachtagung, 23rd International Colloquium Tribology, 2022, Stuttgart/Ostfildern

A specific sub-step in this process is the validation of a chosen set of bearing and shaft dimensions with respect to operational clearance and the prevention of jamming due to thermal expansion. The data represents the exemplary hardware-in-the-loop test of the above conference paper. Columns A-N represent data measured on the Block-on-Ring tribometer that was utilized for the test and columns O-S represent data that was calculated according to the described procedure. Names of physical quantities and their units are included in the form of two header lines.
DOI: 10.17632/2677g3pjmf.1
title: social representations of typical, male, and female leaders

description: free associations, evaluations of free associations and Peabody's (1985) semantial differential were collected for the stimuli typical leader, male leader, and female leader. Questionnaire, codebook, and data are provided.
DOI: 10.17632/52d5h4z89x.1
title: Enrichment and Transport of Polycyclic Aromatic Hydrocarbons (PAHs) through Dust Aerosol Generation from Soils 

description: Fig 1 is the schematic diagram of the experimental setup; Fig S1 is the map of sampling; Fig S5 is the SEM image of soil and fine dust aerosol.
DOI: 10.3886/icpsr06047.v1
title: National Health Interview Survey, 1988: Occupational Health Supplement
title: Version 1

description: The basic purpose of the National Health Interview Survey (NHIS) is to obtain information about the amount and distribution of illness, its effects in terms of disability and chronic impairments, and the kinds of health services people receive. Each year, the National Center for Health Statistics conducts the NHIS, a personal interview household survey that uses a nationwide sample of the civilian, noninstitutionalized population of the United States. The NHIS includes a core set of questions that remains virtually unchanged across years on a variety of sociodemographic and health-related concerns. In addition, one or more current health topics is selected for special emphasis annually. For this supplement on occupational health, adult sample persons were asked questions regarding their lifetime working status and their work experience in the year prior to the interview. The primary focus of the supplement was on those individuals who had worked at civilian jobs in the prior year. These persons were asked about work-related injuries, back pain, hand discomfort, skin conditions, eye, nose, and throat irritations, health conditions, and smoking. Those who had previously worked, but not in the prior year, were asked questions about lifetime work experience, and then skipped to the questions on chronic conditions and smoking. Sample persons whose work during the prior year was active military duty also followed this sequence of questions. Those who had never worked were only asked about smoking. This collection also contains data from the basic questionnaire (see NATIONAL HEALTH INTERVIEW SURVEY, 1988 [ICPSR 9412]), including age, sex, race, marital status, education, veteran status, income, family relationship, self-reported health status, and activity limitations, and the number of bed days, doctor visits, and hospital stays in the previous year.
description: Multistage probability sample.
description: Datasets: DS1: National Health Interview Survey, 1988: Occupational Health Supplement
description: Civilian, noninstitutionalized population of the United States.
description: Per agreement with NCHS, ICPSR distributes the data file(s) and technical documentation in this collection in their original form as prepared by NCHS. The age distribution for this file is: 18-24 (N = 5,337), 25-44 (N = 19,166), 45-64 (N = 10,747), 65-69 (N = 2,867), 70-74 (N = 2,434), and 75+ (N = 3,682).
DOI: 10.6084/m9.figshare.19617717
title: Immunofluorescence Images of Circulating Tumor Cells (CTCs)

description: Immunofluorescence images of CTCs from paired blood (PB, ID 5152*) and bone marrow samples (BMA, ID 5151*) of an aggressive prostate cancer patient. Images are grouped by subtypes of CTCs defined based on the phenotypic features.
DOI: 10.6084/m9.figshare.19619007.v1
title: Proteomic Characterization of Circulating Tumor Cells (CTCs) by Image Mass Cytometry (IMC)

description: CTCs from bone marrow aspirate sample of a metastatic prostate cancer were analyzed using IMC. <br> There are total 40 region of interests (ROIs) included for proteomic charaterization as txt files. Based on those files, cell segmentation and ion count per cell could be generated by IMC segmentation pipeline from the Bodenmiller Lab, using the CellProfiler and Ilastik. Cell images with segmented masks could be further visualized by HistoCAT. <br> MCD file is for a quick overview on MCD Viewer.
DOI: 10.6084/m9.figshare.19619007
title: Proteomic Characterization of Circulating Tumor Cells (CTCs) by Image Mass Cytometry (IMC)

description: CTCs from bone marrow aspirate sample of a metastatic prostate cancer were analyzed using IMC. <br> There are total 40 region of interests (ROIs) included for proteomic charaterization as txt files. Based on those files, cell segmentation and ion count per cell could be generated by IMC segmentation pipeline from the Bodenmiller Lab, using the CellProfiler and Ilastik. Cell images with segmented masks could be further visualized by HistoCAT. <br> MCD file is for a quick overview on MCD Viewer.
DOI: 10.17632/56hg54ww63.1
title: COVID-19 Vaccine Uptake and Hesitancy in Somaliland 

description: The dataset contain information on COVID-19 vaccine and hesitancy. A related article is being submitted to Data in Brief. 

Here are the symbols in the dataset and what they stand for? 

LANG= Survey language
Uptake= was the respondent vaccinated?
Willing= if not vaccinated, was the respondent willing to get vaccinated? 
EMPLOY= Is the respondent currently employed? 
HISTORY= whether the respondent has a past history of a chronic disease 
AVAILABLE= was the vaccine made available at a nearby center or at work place? 
ABOVE45= does the respondent live with someone above 45 years old? 
TEST= has the respondent ever been tested for COVID19?
RESULT= result of the COVID-19 test
THREAT= to what extent does the respondent agrees with the statement that COVID-19 test poses a serious threat to his/her health? 
SAFETY= to what extent does the respondent agrees with the statement that COVID-19 test is safe? 
SOCIALM= how long does the respondent use social media per day?
DOI: 10.17632/gbvp39kbyw.1
title: Transcriptome sequencing of growth plate chondrocytes in Col1a2oim/+ mice

description: Transcriptome sequencing of growth plate chondrocytes in Col1a2oim/+ mice part3
DOI: 10.3886/icpsr06050.v1
title: National Health Interview Survey, 1991: AIDS Knowledge and Attitudes Supplement
title: Version 1

description: The purpose of the National Health Interview Survey (NHIS) is to obtain information about the amount and distribution of illness, its effects in terms of disability and chronic impairments, and the kinds of health services people receive. The 1991 AIDS Knowledge and Attitudes Supplement includes variables from the core Person File (see NATIONAL HEALTH INTERVIEW SURVEY, 1991 [ICPSR 6049]), including sex, age, race, marital status, veteran status, education, income, industry and occupation codes, and limits on activity. Variables unique to this supplement cover attitudes toward and knowledge of Acquired Immune Deficiency Syndrome (AIDS), the effects of the disease, how it is spread, where to obtain information on AIDS, blood tests, how to avoid getting the disease, and personal knowledge of anyone who had had the test for AIDS, had tested positively for the virus, or had the disease. In addition, questions were asked concerning awareness of the drug AZT, perceptions of the effectiveness of condoms, and knowledge of condom use.
description: One person 18 years or older was randomly sampled from each household in the 1991 National Health Interview Survey sample.
description: Datasets: DS1: National Health Interview Survey, 1991: AIDS Knowledge and Attitudes Supplement
description: Civilian, noninstitutionalized population of the 50 states and the District of Columbia.
description: Per agreement with NCHS, ICPSR distributes the data file(s) and technical documentation in this collection in their original form as prepared by NCHS.
DOI: 10.3886/icpsr06053.v1
title: National Health Interview Survey, 1991: Health Promotion and Disease Prevention Supplement
title: Version 1

description: The purpose of the National Health Interview Survey (NHIS) is to obtain information about the amount and distribution of illness, its effects in terms of disability and chronic impairments, and the kinds of health services people receive. This supplement includes variables from the core Person File (see NATIONAL HEALTH INTERVIEW SURVEY, 1991 [ICPSR 6049]), including sex, age, race, marital status, veteran status, education, income, industry and occupation codes, and limits on activity. The variables unique to this supplement cover 12 topic areas that relate to the United States Department of Health and Human Services' "Healthy Year 2000" objectives: environmental health (radon, smoking in the home, and lead paint), tobacco (smoking history, use of tobacco, and health), nutrition (weight control and exercise), immunization and infectious disease (vaccinations and foreign travel), occupational safety and health (seat-belt use, smoking in the workplace, and wellness programs), heart disease and stroke (blood pressure and cholesterol concerns), other chronic and disabling conditions (diabetes, glaucoma, asthma, and mobility problems), clinical and preventive services (seat-belt usage and complete physical exam), physical activity and fitness (types and frequency of physical activity), alcohol (drinking history in past year), mental health (feelings of anger, depression, and boredom recently), and oral health (dental visits in past year).
description: One person 18 years or older randomly sampled from each household in the 1991 National Health Interview Survey sample.
description: Datasets: DS1: National Health Interview Survey, 1991: Health Promotion and Disease Prevention Supplement
description: Civilian, noninstitutionalized population of the 50 states and the District of Columbia.
description: Per agreement with NCHS, ICPSR distributes the data file(s) and technical documentation in this collection in their original form as prepared by NCHS.
DOI: 10.17632/ck8x2xdwby.1
title: Leaf and ecosystem water use effciencies differ in their global-scale patterns and drivers

description: Water use effciency (WUE) links carbon and water cycling and has been recognized as important in understanding the carbon-water budget of terrestrial ecosystems. However, there are few studies comparing WUE at leaf and ecosystem levels in response to environmental variables on a global scale. Here, we compare global-scale patterns and the drivers of leaf and ecosystem WUEs and quantify the relative inﬂuence of biotic and abiotic factors. Using published world-wide δ13C (carbon stable isotope composition) measurements for 6751 C3 plant populations from 174 publications, as well as our own measurements of δ13C for 418 C3 plant populations across drylands in China, and satellite-based datasets of gross primary production and evapotranspiration, we determined global patterns and the drivers of leaf and ecosystem WUEs. Leaf intrinsic WUE (iWUE) and ecosystem WUE displayed almost opposite trends, in response to abiotic factors on a global scale. iWUE was highest in arid
regions and lowest in humid regions, whereas ecosystem WUE was lowest in arid regions and highest in humid regions. Phylogeny had a signifcant effect on iWUE. Mean annual temperature (MAT) was the strongest factor in predicting iWUE, whereas the most robust factor in predicting ecosystem WUE was leaf area index (LAI). The data indicate that the two different responses at the leaf and ecosystem levels must be considered when modeling carbon and water balances in response to climate change.
DOI: 10.17632/jjhhf6wc9j.1
title: "TÉCNICA DE ANÁLISE DA PARTICIPAÇÃO SOCIAL EM CONSELHOS – OPERACIONALIZANDO CONCEITOS" published by RAC-Revista de Administração Contemporânea

description: Este banco de dados apresenta o banco de dados brutos em excel da análise do conteúdo das atas das reuniões do conselho gestor do PEIC. A análise documental foi um passo essencial para a sua classificação-indexação. A análise do processo de tomada de decisão do PEIC partiu da coleta em campo dos 14 anos de atas das reuniões do CG, totalizando um número total de 163 atas (n=163), o que corresponde ao período entre 1998 e 2012. A organização documental foi consolidada em planilha eletrônica com o objetivo de facilitar o acesso ao conteúdo dos documentos, apresentando uma representação condensada da informação a ser sistematizada em um segundo momento. Serão também incluidas as tabelas organizadas para fins de compreensão do artigo.
DOI: 10.17632/5v4tnkgb42.1
title: Application of Faraday’s Law to Cannabis Sativa L. Germination in an Alternating Current Magnetic Field

description: Application of Faraday’s Law to Cannabis Sativa L. Germination in an Alternating Current Magnetic Field
DOI: 10.17632/nxh3kpbr2s.2
title: First radiation wave of angiosperm pollen from upper Barremian–lower Aptian of the Arabian Plate

description: Palynological data from three boreholes in the Arabian Gulf (612-383, 780-91, 612-668).
DOI: 10.17632/93rvknky3p.1
title: Coleta de Dados para Métodos de Predição de Estrutura de Proteína

description: Estes dados pretendem reunir um compêndio de metodologias in silico que busca prever a estrutura de proteínas, além de atribuir algumas características, programas, softwares e servidores presentes nos estudos revisados.
DOI: 10.17632/w3s2vjxkfn.1
title: Transcriptome sequencing of growth plate chondrocytes in Col1a2oim/+ mice

description: Transcriptome sequencing of growth plate chondrocytes in Col1a2oim/+ mice part2
DOI: 10.17632/hhr6h73wh8.1
title: Transcriptome sequencing of growth plate chondrocytes in Col1a2oim/+ mice 

description: Transcriptome sequencing of growth plate chondrocytes in Col1a2oim/+ mice part 1
DOI: 10.17632/nbz7hs4ckn.1
title: Data from Block-on-Ring Wear Tests of Victrex FG340 in Dry Sliding versus AISI 52000 steel

description: The data has been collected during Block-on-Ring Wear Tests on "Victrex PEEK FG340". The tests were done in dry sliding against AISI 52000 steel rings, ground twist-free to 𝑅a = 0.14–0.19 μm, 𝑅z = 1.5–1.9 μm and with a hardness of 60–62 HRc in standard laboratory atmosphere (21–25 °C, 40–60% rH). The research objective was to determine the coefficient of friction of this material pair for use in the calculation of transient temperatures and dimensions during the process of designing a journal bearing. Test conditons were conducted on an ASTM G137-compliant Block-on-Ring tribometer from Tribologic GmbH, Germany. The tests were conducted at 1 MPa in uniform, unidirectional sliding at 1.0 m/s and lasted 6 hours each, resulting in a total sliding distance of 21,600 m for each test. Block cross section was 16 mm² and fiber orientation (if applicable) was nominally parallel (with respect to an ISO 527-1A speciment). Individual test results for the coefficient of friction, the linear, time-dependent wear rate and the counter body temperature were calculated from time-resolved sensor data. For this, data from the running-in phase of each experiment was ignored. For statistical reasons eight individual tests were conducted and - after elimination of outliers using Nalimov's variant of the Grubbs test - arithmetic mean and (frequentist) confidence intervals (95 %) were determined for the aforementioned quantities. This resulted in a COF of 0.28-0.32, a linear, time-dependent wear rate of 0.6 - 1.0 µm/h and a counter body temperature of 31.2 - 32.4 °C.

For each of the 8 conducted tests, a plain-text columnar data file is provided ("*.proc"). Instead of including one or more header lines for denoting the meaning, name and unit of each column, a yaml-formatted, human-readable header file is provided ("*.yaml"). Column-indexing starts at 0, i.e. the first column of the data file is represented by index 0. Data and header files are matched by their test ids, which range from 555689 to 555696 in this data set.
DOI: 10.5281/zenodo.6474011
title: Pore matrix dissolution in carbonates: An in-situ experimental investigation of carbonated water injection

description: Carbonate rocks in underground formations are major targets for oil extraction and carbon storage. The solid part of these porous rocks contains certain minerals, such as calcite and dolomite, that can interact with aqueous solutions. Interactions could be reactive, which leads to the dissolution of these minerals. In this study, we investigated the evolution of carbonate rock dissolution during the flow of carbonated water in pores that initially contain both oil and brine. Carbonated water is an aqueous solution enriched with carbon dioxide (CO<sub>2</sub>); hence, it is acidic. In our experiments, we observed that the reactive flow and transport of carbonated water is characterized by two distinct periods. The first is a pre-dissolution period where the CO<sub>2</sub> molecules diffused from the flowing carbonated water into the oil causing it to swell. As separate oil globules swelled, they reconnected and moved in the direction of the flowing water toward the outlet of the rock sample. In the second stage, significant mineral dissolution occurred creating wormholes that had either a conical or a dominant pattern. The pattern and extent of dissolution was dependent on the flow rate of the carbonated water and its CO<sub>2</sub> concentration.
DOI: 10.5281/zenodo.6474010
title: Pore matrix dissolution in carbonates: An in-situ experimental investigation of carbonated water injection

description: Carbonate rocks in underground formations are major targets for oil extraction and carbon storage. The solid part of these porous rocks contains certain minerals, such as calcite and dolomite, that can interact with aqueous solutions. Interactions could be reactive, which leads to the dissolution of these minerals. In this study, we investigated the evolution of carbonate rock dissolution during the flow of carbonated water in pores that initially contain both oil and brine. Carbonated water is an aqueous solution enriched with carbon dioxide (CO<sub>2</sub>); hence, it is acidic. In our experiments, we observed that the reactive flow and transport of carbonated water is characterized by two distinct periods. The first is a pre-dissolution period where the CO<sub>2</sub> molecules diffused from the flowing carbonated water into the oil causing it to swell. As separate oil globules swelled, they reconnected and moved in the direction of the flowing water toward the outlet of the rock sample. In the second stage, significant mineral dissolution occurred creating wormholes that had either a conical or a dominant pattern. The pattern and extent of dissolution was dependent on the flow rate of the carbonated water and its CO<sub>2</sub> concentration.
DOI: 10.17632/4h3cn476jv.1
title: On the design of a piezoelectric self-sensing smart composite laminate_ Dataset

description: This excel file contains the raw data related to the cycle tests performed on the self-sensing GFRP powder laminates for the paper "On the design of a piezoelectric self-sensing smart composite laminate".