cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/bbsvsz3c3f
title: Hydraulic conductivity of old store-and-release covers 

description: Basic soil physical properties with saturated hydraulic conductivity (m/d) of old store-and-release covers in Mpumalanga Highveld, South Africa.
DOI: 10.17632/c8wfy5nt5c
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: 10.17632/h4tskxwgcb
title: Use of the Brannock Device to detect differences in foot length in patients with traumatic nail disease

description: Supplemental Figure 1: Diagram of the Brannock device and its features.
Before using the device, the moveable arch length pointer and width adjustor are positioned at their slid back and at their widest point, respectively. The patient stands with the heel flush to the heel cup and equal weight distributed between the two feet. Toe length is determined by measuring to the end of the longest toe, while arch length is measured using the arch length pointer and positioning it against the ball joint of the foot. Shoe size is determined based on both heel-to-toe measurement and arch measurement. Width is measured by using the width bar, which is positioned firmly against the edge of the foot. The device is then re-positioned such that the other end is used to measure the opposite foot.
DOI: 10.17632/jybbbr7m5x
title: Arthropod Database Impact Assessment Datasets and Visualizations

description: This Tableau workbook contains all the data and figures used to support the impact assessment of the arthropod pesticide resistance database (APRD).
DOI: 10.17632/pj7gmk86cf
title: The Mla system of the diderm Firmicute Veillonella parvula reveals an ancestral envelope-spanning core for phospholipid trafficking

description: Despite extensive characterisation of envelope biogenesis systems in diderm (Gram-negative) bacteria, glycerophospholipid (GPL) trafficking remains poorly understood, and has only been studied in a handful of model species. In classical model diderms (Proteobacteria), the Mla system has been proposed to facilitate retrograde GPL trafficking and is composed of six proteins, MlaA-F. GPLs are extracted from the outer leaflet of the outer membrane (OM) by the lipoprotein MlaA which associates with porin trimers, then shipped through the periplasmic space by the periplasmic chaperone MlaC, which delivers GPLs to the inner membrane (IM) complex formed by MlaBDEF. Here, we investigate GPL trafficking in Veillonella parvula, a diderm member of the Firmicutes which encodes an Mla system devoid of MlaA and MlaC. V. parvula ∆mla mutants display phenotypes characteristic of disrupted lipid asymmetry such as hypervesiculation and detergent hypersensitivity. Lipid content analysis from outer membrane vesicles (OMVs) reveals an enrichment for the major lipid component phosphatidylethanolamine (PE). Interestingly, suppressor analysis identifies mutations in tamB that rescue detergent hypersensitivity of ∆mla strains, supporting the involvement of these two systems in antagonistic GPL trafficking functions across diverse bacterial lineages. A combination of structural modeling and subcellular localisation assays shows that MlaDVp is longer than in classical diderm models and forms a transenvelope bridge, encoding both an IM-localised MCE domain and an OM ß-barrel. These results strongly suggest that V. parvula possesses a minimal Mla system for GPL trafficking replacing the need for chaperones and OM lipoproteins by directly connecting the two membranes. Finally, phylogenomic analysis indicates that this MlaEFD self-contained architecture is widely distributed in diderm bacteria and most likely represents the ancestral functional core of the Mla system, which subsequently increased in complexity in Proteobacteria and closely related phyla following the emergence of MlaABC. Our work broadens the diversity of current models of GPL trafficking in diderm bacteria, challenging the paradigm set by classical models and shedding light on the evolution of a crucial system in the biogenesis and maintenance of the bacterial outer membrane.
DOI: 10.17632/x6py8yg2xd
title: Data for: The complete mitochondrial genome of Echinostoma miyagawai: comparisons with closely related species and phylogenetic implications
DOI: 10.17632/y5nxnwdyw4
title: COVID19_dataset

description: This dataset includes 3 classes of data (COVID-19, Normal, Viral Pneumonia)
DOI: 10.17632/32897xmjkr
title: Data used in: Sulfate formation through copper-catalyzed SO2 oxidation by NO2 at aerosol surfaces

description: The attached spreadsheet contains the datasets used in the article titled "Sulfate formation through copper-catalyzed SO2 oxidation by NO2 at aerosol surfaces", which is submitted to NPJ Climate and Atmospheric Science. 

Each tab of the spreadsheet was named per the corresponding figure in the main text and supplemental materials.
DOI: 10.17632/39mzgh6t8f
title: A boundary element program package for electromagnetic excitation of conducting bodies of revolution by an asymmetrical slot

description: Abstract This paper describes a computer code which was developed to compute the electromagnetic radiation from a conducting body of revolution (BOR) using the method of moments (boundary element method). The BOR is assumed to be excited by a slot in its surface; this slot need not extend all the way around the surface, but may be asymmetrical. Title of program: ASBOR Catalogue Id: ABLD_v1_0 Versions of this program held in the CPC repository in Mendeley Data ABLD_v1_0; ASBOR; 10.1016/0010-4655(89)90022-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/g9mzgvrd66
title: Data for: Examining motion speed processing in schizophrenia using the flash lag illusion

description: Size of Flash Lag illusion for a group of patients with schizophrenia and healthy controls for 10 different speeds.
DOI: 10.17632/sgpksgbw5g
title: Privatization and Pandemic: A Cross-Country Analysis of COVID-19 Trends and Health-Care Financing Structures

description: The outbreak of coronavirus and the infectious disease it causes (COVID-19) have taken different paths around the world, with countries experiencing different rates of infection, case prevalence and mortality. This simultaneous yet heterogenous process presents a natural experiment for understanding some of the reasons for such different experiences of the same shock. This paper looks at the privatization of healthcare as one key determinant of this pattern. We use a cross-section dataset covering 147countries with the latest available data. Controlling for per capita income, health inequality and several other control variables, we find that a 10% increase in private health expenditure relates to a 4.3% increase in COVID-19 cases and a 4.9% increase in COVID-19 related mortality. Globalization also has a small positive effect on COVID-19 prevalence, while higher hospital capacity (in beds per 1,000 people) is significant in lowering COVID-19 mortality. The findings suggest caution regarding policies which privatize healthcare systems in order to boost efficiency or growth in the short-run, as these reduce countries' long-term preparedness for dealing with pandemics.
DOI: 10.17632/w2s66sskn9
title: Diagnosis of oral cancer bibliometric analysis database

description: Research database "Analysis of scientific publications on the diagnosis of oral cancer: a bibliometric study over 22 years"
DOI: 10.17632/89j8kmyjd3
title: Specificity of Internet texts  understanding in youth age

description: Specificity of Internet texts  understanding in youth age
DOI: 10.17632/d69fszjd35
title: Design and validation of fear of childbirth scale in women of reproductive age: a mixed method study

description: These data were entered in Excel format. Data are prepared in separate sheets related to CFA, EFA, concurrent validity, internal reliability, sustainability reliability, face validity and CVR-CVI.
DOI: 10.17632/gh6srcd68n
title: DARK TETRAD AND SOCIAL SCIENTISTS’ METHOD CHOICE (QUALITATIVE VS. QUANTITATIVE): MEDIATING ROLE OF POPULISM, POSITIVISM AND NEED FOR DOMINANCE

description: This study investigates the effect of Dark Tetrad (DT: Machiavellianism, narcissism, psychopathy, sadism) on the Method Choice (MC) of social scientists (qualitative vs. quantitative) through science-related attitudes (positivism and populism) and motivation of being dominant to participants (ND: need for dominance).
DOI: 10.17632/gkzz4w4j5h
title: A 3 + 1 dimensional viscous hydrodynamic code for relativistic heavy ion collisions

description: Abstract We describe the details of 3 + 1 dimensional relativistic hydrodynamic code for the simulations of quark–gluon/hadron matter expansion in ultra-relativistic heavy ion collisions. The code solves the equations of relativistic viscous hydrodynamics in the Israel–Stewart framework. With the help of ideal–viscous splitting, we keep the ability to solve the equations of ideal hydrodynamics in the limit of zero viscosities using a Godunov-type algorithm. Milne coordinates are used to treat the pred... Title of program: vHLLE Catalogue Id: AETZ_v1_0 Nature of problem Relativistic hydrodynamical description of the 3-dimensional quark-gluon/hadron matter expansion in ultra-relativistic heavy ion collisions. Versions of this program held in the CPC repository in Mendeley Data AETZ_v1_0; vHLLE; 10.1016/j.cpc.2014.07.010 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/hw229v7p2k
title: RIP1 inhibition protects TMJ from stress-induced TMJ OA

description: A compressive mechanical force-induced-TMJ OA rat model was used in the study. Lenti-virus targeting RIP1 was constructed in vitro and injected into the TMJ. Hematoxylin and eosin staining, TUNEL staining and micro-computed tomography were used to assess histological and morphological changes in the mandibular condyle. Immunohistochemistry, Western Blot and real-time PCR were performed to determine the changes of inflammatory, apoptotic and necroptotic markers.
DOI: 10.17632/nhn57yfp4c
title: Data for: Generative Adversarial Network-based Semi-supervised Learning for Real-time Risk Warning of Process Industries

description: Present program consists of MLP, CNN, Ladder network, and DCGAN. Dataset1 is balanced data, Dataset2 is unbalanced data. Present program was codified on tensorflow 1.3.0.
DOI: 10.17632/sffkd6yrst
title: Effect of extracorporeal shock waves on neuromuscular junctions versus carpal tunnel syndrome

description: Objective:to determine effectiveness of using extracorporeal shockwave therapy (ESWT) directly on the NMJ versus using it on injuries that exert pressure on the nerve such as (CTS). Background: The nervous system can be affected by many conditions and disorders that can disrupt its normal functioning and transmission of impulses, such as the destruction of neuromuscular junctions or pressure on nerves, such as carpal tunnel syndrome. Methods: The review was carried out by searching scientifically recognized medical databases, including PubMed, Scopus, Biomed, National Library of Medicine, Science direct library, Sage Journals and Spinger Link. Date restrictions were not applied. Conclusion: Preliminary research on extracorporeal shockwave therapy for carpal tunnel syndrome has shown encouraging results, leading to recommendations for its potential use as a treatment modality. However, the current literature examining shockwave therapy for neuromuscular junction dysfunction is limited. Further studies through high-quality human trials are still needed.
DOI: 10.17632/t2mbshyptz
title: CMBE v05—Implementation of a toy-model for chaos analysis of relativistic nuclear collisions at the present BNL energies

description: Abstract In this paper we present a new version of Chaos Many-Body Engine (CMBE) Grossu et al. (2014) [1]. Inspired by the Mean Free Path concept, we implemented a new parameter, namely the “Mean Free Time”, which is defined as the mean time between one particle’s creation and its stimulated decay. This new parameter should be understood as an effect of the nuclear environment and, as opposed to the particle lifetime, it has the advantage of not being affected by the relativistic dilation. In [2] we p... Title of program: Chaos Many-Body Engine v05 Catalogue Id: AEGH_v5_0 Nature of problem Toy-model for relativistic nuclear collisions at present BNL energies. Versions of this program held in the CPC repository in Mendeley Data AEGH_v1_0; Chaos Many-Body Engine v01; 10.1016/j.cpc.2010.04.015 AEGH_v2_0; Chaos Many-Body Engine v02; 10.1016/j.cpc.2012.01.009 AEGH_v3_0; Chaos Many-Body Engine v03; 10.1016/j.cpc.2012.12.012 AEGH_v4_0; Chaos Many-Body Engine v04.1; 10.1016/j.cpc.2013.12.024 AEGH_v5_0; Chaos Many-Body Engine v05; 10.1016/j.cpc.2014.06.014 AEGH_v6_0; Chaos Many-Body Engine v06; 10.1016/j.cpc.2015.04.027 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/vjppyhdxxx
title: Data for: Range expansion of an already widespread bee under climate change

description: occurrence records of Ceratina Australensis used in our Species Distribution Models
DOI: 10.17632/49fyfcgpgs
title: LINF_010010700

description: Pre-mRNA processing factor 3 (PRP3); Leishmania infantum (strain JPCM5)
DOI: 10.17632/49zt2xw3yk
title: Anortosite_Manuscritp

description: Weathering of anorthosite saprolites and their influence on soil formation and mineralogy in the Borborema province, northeastern Brazil
Our study explores regoliths formed from the weathering of anorthosite, a rock of significant interest in earth sciences concerning surface processes. 
Utilizing an interdisciplinary approach, our research investigates the interface between the lithosphere and the pedosphere by combining saprolithology and pedology. We selected representative regolith profiles in a stable landscape with minimal anthropogenic interference. 
Among the primary novelties, we highlight that the main pedogenetic process forming soils derived from anorthosite is clay enrichment, primarily through the weathering of plagioclases. Additionally, our findings reveal that the porosity system of the saprolite significantly influences the intensity of pedogenetic processes and the formation of clay minerals, leading to soil differentiation, we described the first evidence of smectite formation in soils from this rock in tropical regions.
Thus, this methodology provided valuable insights into soil formation processes occurring throughout the entire anorthosite regolith, emphasizing the importance of the interdisciplinary whole regolith approach.
DOI: 10.17632/7ysf2zbfkt
title: Data in brief of  genome and bioinformatic of vicilins from Vigna unguiculata

description: The data in brief is repository of article: Genomic and bioinformatic  analysis of Vicilin dataset, the 7S globulin from cowpea (Vigna unguiculata) seeds
DOI: 10.17632/923n6hm264
title: Atomic Force Microscopy (AFM)-KMBB

description: An Atomic Force Microscope (AFM) is a type of microscope that belongs to a family of microscopes known as Scanning Probe Microscopes (SPMs). Such microscopes use a physical probe tip, mounted on a cantilever, that is scanned back and forth, in a raster pattern, over the sample surface. In a way, this method can be likened to a blind man who uses a stick to “see” the terrain on which he is on. The deflection of the AFM cantilever as the probe tip moves over the sample surface is tracked by a laser beam that is reflected at the back side of the AFM cantilever. A position sensitive photodetector detects the deflection of the laser and such information is used in the feedback loop to create a 3D topographic image after the scanning process. An AFM is an SPM that makes use of the electrostatic forces between the cantilever tip and the sample to generate an image. A magnetic force microscope (MFM) is an SPM makes use of magnetic forces, while a scanning tunneling microscope (STM) is an SPM that uses the electrical current flowing between the sample and the cantilever tip. The AFM was developed to overcome the challenges faced by its predecessor, the STM. Unlike the STM, which can only image conducting or semiconducting samples, an AFM can image conducting and semiconducting materials, as well as polymers, ceramics, composites, and biological samples. Depending on the information that is needed, the AFM can be operated in two basic modes of imaging. The first one is called the Static or Contact Mode. The second mode is known as the Dynamic Mode under which we have the Tapping (intermittent contact mode) and the Non-Contact Mode. 
In this activity, we are going to visualize and analyze AFM data using Gwyddion, a free and Open-Source software for visualizing and analyzing data obtained using Scanning Probe Microscopy techniques, like AFM. The said software can be used for general height field and image processing. Gwyddion can be downloaded from http://gwyddion.net/download.php. Image processing of AFM data are of two kinds: First, are those processes that compensate for instrument defects or to remove artifacts, and the second, are processes that quantify surface information.
DOI: 10.17632/ghmgsyyy3z
title: Issues Causing Girls’ Dropout from Schools in Afghanistan

description: Abstract
This non-empirical study aims to explore the key factors contributing to the dropout of girls from schools in Afghanistan. The paper first provides a historical context, where the education of girls in the country has consistently faced challenges. It also examines several studies conducted in neighboring countries where girls' education encounters similar obstacles leading to their dropout from schools. Subsequently, the study identifies specific cultural, economic, insecurity, and school-related challenges as the main barriers to girls' education in Afghanistan. Finally, the paper proposes several recommendations, the implementation of which could potentially improve the status of girls' education in the country.
Keywords: School Dropout; Education; Afghanistan; Girls.
DOI: 10.17632/wtyfwkhmt7
title: LINF_050017100

description: Protein of unknown function - conserved; Leishmania infantum (strain JPCM5)
DOI: 10.17632/ffp84zd76s
title: Exploring Lipidomic Profiles and Their Correlation with Hormone Receptor and HER2 Status in Breast Cancer

description: Dysregulated lipid metabolism promotes the progression of various cancers, including breast cancer. This study aimed to explore the lipidomic profiles of breast cancer patients, providing insights into the correlation between lipid compositions and tumor subtypes characterized by hormone receptor (HR) and human epidermal growth factor receptor 2 (HER2) status. Briefly, 30 breast cancer patients were categorized into four cohorts based on their HR and HER2 status: HR+, HER2 zero (HR+ HER2-0); HR+, HER2 low (HR+ HER2-low); HR+, HER2 pos (HR+ HER2-pos); and HR-, HER2 positive (HR- HER2-pos). Lipidomic profiles were analyzed using high-throughput liquid chromatography-mass spectrometry (LC-MS).
DOI: 10.17632/fpwtnn9yp8
title: CancerSSDTs

description: CancerSSDTs
This repository contains data, codes, and supplementary information used to identify strictly-selective drug targets for 13 cancers.

Requirements
The following tools are needed:

COBRA Toolbox
rFASTCORMICS
CPLEX v12.9.0 or any CPLEX version compatible with MATLAB.

To Obtain Strictly Selective Lethal Sets, Follow the Steps Below:
Initialize COBRA toolbox:
initCobraToolbox
Use rFASTCORMICS to build normal and cancer context-specific models for each tissue. The parameters for this step are provided in BuildCSM.m. Provided models are available in Contex_Specific_Models:
BuildCSM.m
Use RapidSL to identify single and synthetic lethal drug targets for all cancers. A sample script is provided in RunRapidSL.m. All identified selective and non-selective solutions are available in All_Identified_Synthetic_Lethal_Non_Selective:
RunRapidSL.m
Use the FindSSDTs.m function to extract strictly-selective drug targets for each cancer. A sample use of this function is provided in IdentifySelectives.m:
IdentifySelectives.m
All SSDTs identified in this study are available in the Supplementary_File_S1:
This repository represents the data related to the following submitted manuscript:
Manshadi et al.,"Higher order synthetic lethals are keys to minimizing cancer treatment effects on normal cells".