cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.21420410.v1
title: <i>In silico</i> structural inhibition of ACE-2 binding site of SARS-CoV-2 and SARS-CoV-2 omicron spike protein by lectin antiviral dyad system to treat COVID-19

description: Spike glycoprotein of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) binds angiotensin-converting enzyme-2 (ACE-2) receptors via its receptor-binding domain (RBD) and mediates virus-to-host cell fusion. Recently emerged omicron variant of SARS-CoV-2 possesses around 30 mutations in spike protein where N501Y tremendously increases viral infectivity and transmission. Lectins interact with glycoproteins and mediate innate immunity displaying antiviral, antibacterial, and anticarcinogenic properties. In this study, we analyzed the potential of lectin, and lectin–antibody (spike-specific) complex to inhibit the ACE-2 binding site of wild and N501Y mutated spike protein by utilizing <i>in silico</i> molecular docking and simulation approach. Docking of lectin at reported ACE-2 binding spike-RBD residues displayed the ZDock scores of 1907 for wild and 1750 for N501Y mutated spike-RBD. Binding of lectin with antibody to form proposed dyad complex gave ZDock score of 1174 revealing stable binding. Docking of dyad complex with wild and N501Y mutated spike-RBD, at lectin and antibody individually, showed high efficiency binding hence, effective structural inhibition of spike-RBD. MD simulation of 100 ns of each complex proved high stability of complexes with RMSD values ranging from 0.2 to 1.5 nm. Consistent interactions of lead ACE-2 binding spike residues with lectin during simulation disclosed efficient structural inhibition by lectin against formation of spike RBD–ACE-2 complex. Hence, lectins along with their ability to induce innate immunity against spike glycoprotein can structurally inhibit the spike-RBD when given as lectin–antibody dyad system and thus can be developed into a dual effect treatment against COVID-19. Moreover, the high binding specificity of this system with spike-RBD can be exploited for development of diagnostic and drug-delivery systems.
DOI: 10.6084/m9.figshare.21420410
title: <i>In silico</i> structural inhibition of ACE-2 binding site of SARS-CoV-2 and SARS-CoV-2 omicron spike protein by lectin antiviral dyad system to treat COVID-19

description: Spike glycoprotein of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) binds angiotensin-converting enzyme-2 (ACE-2) receptors via its receptor-binding domain (RBD) and mediates virus-to-host cell fusion. Recently emerged omicron variant of SARS-CoV-2 possesses around 30 mutations in spike protein where N501Y tremendously increases viral infectivity and transmission. Lectins interact with glycoproteins and mediate innate immunity displaying antiviral, antibacterial, and anticarcinogenic properties. In this study, we analyzed the potential of lectin, and lectin–antibody (spike-specific) complex to inhibit the ACE-2 binding site of wild and N501Y mutated spike protein by utilizing <i>in silico</i> molecular docking and simulation approach. Docking of lectin at reported ACE-2 binding spike-RBD residues displayed the ZDock scores of 1907 for wild and 1750 for N501Y mutated spike-RBD. Binding of lectin with antibody to form proposed dyad complex gave ZDock score of 1174 revealing stable binding. Docking of dyad complex with wild and N501Y mutated spike-RBD, at lectin and antibody individually, showed high efficiency binding hence, effective structural inhibition of spike-RBD. MD simulation of 100 ns of each complex proved high stability of complexes with RMSD values ranging from 0.2 to 1.5 nm. Consistent interactions of lead ACE-2 binding spike residues with lectin during simulation disclosed efficient structural inhibition by lectin against formation of spike RBD–ACE-2 complex. Hence, lectins along with their ability to induce innate immunity against spike glycoprotein can structurally inhibit the spike-RBD when given as lectin–antibody dyad system and thus can be developed into a dual effect treatment against COVID-19. Moreover, the high binding specificity of this system with spike-RBD can be exploited for development of diagnostic and drug-delivery systems.
DOI: 10.17632/69t79zxbx5.1
title: Identification of EMT-related long non-coding RNA in gastric cancer: a bioinformatic analysis

description: Supplementary data of the manuscript entitled: Identification of EMT-related long non-coding RNA in gastric cancer: a bioinformatic analysis
DOI: 10.6084/m9.figshare.21622911.v1
title: Additional file 1 of Testing the effects of 4-week training programs based on extreme and medium-sided soccer games: a study focusing on change-of-direction, vertical jump height and locomotor profile

description: Additional file 1. Dataset of the study.
DOI: 10.17632/7rx8hyg3dw.1
title: Dataset for the DiB manuscript: Dataset of analyses performed to determine the level and timing of selected organic pollutants’ inputs in sediments of the Lake of Cavazzo (Italy)

description: Dataset for the DiB manuscript: Dataset of analyses performed to determine the level and timing of selected organic pollutants’ inputs in sediments of the Lake of Cavazzo (Italy)
DOI: 10.17632/7rx8hyg3dw.2
title: Dataset for the DiB manuscript: Dataset of analyzes performed to determine the level and timing of selected organic pollutants’ inputs in sediments of the Lake of Cavazzo (Italy)

description: Dataset for the DiB manuscript: Dataset of analyzes performed to determine the level and timing of selected organic pollutants’ inputs in sediments of the Lake of Cavazzo (Italy)
DOI: 10.17632/686cx6xzrw.2
title: Nailfold capillary abnormalities: a predictor of psoriatic arthritis?

description: Supplementary tables and research protocol for JAAD Research Letter submission: Nailfold capillary abnormalities: a predictor of psoriatic arthritis?
DOI: 10.17632/686cx6xzrw.1
title: Nailfold capillary abnormalities: a predictor of psoriatic arthritis?

description: Supplementary tables and research protocol for JAAD Research Letter submission: Nailfold capillary abnormalities: a predictor of psoriatic arthritis?
DOI: 10.17632/686cx6xzrw.3
title: Nailfold capillary abnormalities: a predictor of psoriatic arthritis?

description: Supplementary tables and research protocol for The Journal of Dermatology Research Letter submission: Nailfold capillary abnormalities: a predictor of psoriatic arthritis?
DOI: 10.6084/m9.figshare.21622899.v1
title: Additional file 2 of Obesity alters the mouse endometrial transcriptome in a cell context-dependent manner

description: Additional file 2: Supplemental Data: Table 1. Differential Gene Expression.
DOI: 10.17632/b6z5f3r6y8.1
title: Rehoming of former laboratory animals survey 2019 - FELASA WG

description: This dataset was created in 2019 using an online survey, by the members of the Federation of European Laboratory Animal Science Associations (FELASA) working group on Rehoming of animals used for scientific and educational purposes. It serves as the basis for a publication in Laboratory Animals submitted in November of 2022. Answers from open-ended questions (columns CL and CM) in the current dataset were deleted to ensure anonymity of the respondents.
DOI: 10.17632/kydbtd763b.1
title: The dataset of school leaders’ technology aided leadership

description: This study's data aims to identify the level of technology leadership among Kuala Krai Kelantan school leaders. Data were gathered using a modified questionnaire adapted from Omar et al (2020) and based on the International Society of Technology in Education (ISTE) 2009 standards. The questionnaire was modified to take into account the factors of the country's educational environment. IBM SPSS software version 28 was used to analyse the collected data.
DOI: 10.17632/kydbtd763b.2
title: The dataset of school leaders’ technology aided leadership

description: This study's data aims to identify the level of technology leadership among Kuala Krai Kelantan school leaders. Data were gathered using a modified questionnaire adapted from Omar et al (2020) and based on the International Society of Technology in Education (ISTE) 2009 standards. The questionnaire was modified to take into account the factors of the country's educational environment. IBM SPSS software version 28 was used to analyse the collected data.
DOI: 10.17632/nxks8yxsr2.1
title: SCLC and chemotherapy

description: SCLC and chemotherapy
DOI: 10.17632/pgm5yxmbn2.1
title: Development of a hybrid machine-learning and optimization solar shading design framework 

description: Title: Development of a hybrid machine-learning and optimization solar shading design framework 
Dates of data collection: 2021/04
Datasets' description: The 6 Excel files named after the solar shading states are datasets produced by the simulation method for training machine learning models, and the rest of the Excel files that start with the word "OPTIMAL" are the optimal solutions obtained for each solar shading state in the multi-objective optimization section.
DOI: 10.17632/2543ntd7pt.1
title: FtsEX-independent control of RipA-mediated cell separation in Corynebacteriales

description: SUPPORTING DATA:
 
Data from the manuscript of Gaday et al., "FtsEX-independent control of RipA-mediated cell separation in Corynebacteriales”

	- Rips.aln
Alignment used to reconstruct the phylogeny (before trimming).

	- Rips.trim
Trimmed alignment used to reconstruct the phylogeny.

	- Rips.treefile
Phylogeny presented in Figure 1A and Figure S1, in newick format.

	- Rips.txt
Annotation file to rename the labels of the newick file on iTol (https://itol.embl.de)
DOI: 10.6084/m9.figshare.21622857.v1
title: Additional file 1 of Paraspinal muscle degeneration and lower bone mineral density as predictors of proximal junctional kyphosis in elderly patients with degenerative spinal diseases: a propensity score matched case–control analysis

description: Additional file 1.
DOI: 10.17632/4zkczny8nv.1
title: Data in brief for submission of Applied Materials Today

description: Original data to get all figures in the submission.
DOI: 10.17632/vg78dh2khn.1
title: Measurment of operating weight of cars in 4 car parks in Germany 2017 / 2018 / 2019

description: The measurements were carried out by the Institute for Steel Construction of the RWTH under the direction of Prof. Dr. Feldmann (https://www.stb.rwth-aachen.de). Alexander Funke was the assistant in charge of the measurements. The data was included in several publications (e.g. https://doi.org/10.1016/j.strusafe.2021.102177, https://doi.org/10.1002/stab.202100035) and in Alexander Funke's dissertation.

The measurements were carried out in 2017, 2018 and 2019. More detailed information on the measurements can be found in the publications or the dissertation. 

Locations of car parks: 
Aachen (50°46′23′′N 6°04′56′′E) 12.12.2017 - 05.01.2018
Cologne (50°56′21′′N 6°58′54′′E) 28.03.2018 - 24.04.2018
Frankfurt (50°06′43′′N 8°40′46′′E ) 08.08.2018 - 10.09.2018
Düsseldorf (51°16′50′′N 6°46′31′′E) 02.04.2019 - 22.04.2019
DOI: 10.17632/2d7947vsjz.1
title: Вивчення іноземних мов

description: Викладання іноземних мов у інформаційному світі потребує переосмислення. Один із варіантів сучасної технології - системно-функціональний підхід до навчання іноземним мовам із використанням ІКТ та проективно-рекурсивної технології роботи із метакогнітивними схемами. Система пройшла успішну апробацію і була впроваджена у практику викладання в Освітньому Центрі "Інтерклас" (м.Кривий Ріг, Україна) протягом 2007 - 2022 років. Згідно з отриманими даними в учнів розвиваються комунікативні компетентності, зростає впевненість у власних діях.
DOI: 10.6084/m9.figshare.21622839.v1
title: Additional file 2 of Accurate genome-wide phasing from IBD data

description: Additional file 2. Supplementary Data Tables.
DOI: 10.17632/58wtyyby7j.1
title: Weld Geometries and Fatigue data of Laser-Welded Thin-Walled T-Joints

description: The Fatigue analysis of laser-welded joints is significantly influencent by the weld geometry due to its stress raising effects. This especially applies to local approaches, which directly include the weld geometry in the fatigue analysis. The processing and incorporation of the weld shape three- oder two-dimensional is still part of the research. Here a statistical method was used to create fractile-based weld cross-sections from cross-sectional raw data. The algorithms for the creation of the fractile-based geometries are available, too. 

A fractile-based geometries was produced for each specimen of a sample. In addition, a fractile-based geometry is created for the total sample group of specimens. These fractile-based geometries are used to calculate notch stresses and predict the fatigue lives according to the notch stress approach with reference radii of 0.3mm and 0.05mm. The predicted fatigue lives are compared to actual results from fatigue experiments in oder to reveal the prediction quality. The dataset cotains more geometry data than used in the fatigue analysis, which could be employed in further calculations and analyses.

The dataset includes four types of data.

1. Geometriecal data of 107 laser-welded thin-walled T-joints, i.e. 3D surface model as .stl-file as well as cross-sectional data of the specimens as .txt-files.
2. The MATLAB code (geometry analysis code) to create fractile-based geometries from the raw data (cross-sectional data, three dimensional laser scan data).
3. The fraktile-based geometries of a particular group of specimens out of the total amount of specimens.
4. The results of notch stress simulations, predicted fatigue life according to the notch stress approach and results from fatigue experiments.
DOI: 10.6084/m9.figshare.21622827.v1
title: Additional file 1 of The effect of orthodontic vertical control on the changes in the upper airway size and tongue and hyoid position in adult patients with hyperdivergent skeletal class II

description: Additional file 1. The Univariate linear regression analysis of the relationship between the variables of craniomaxillofacial structure and the size of upper airway and the position of tongue and hyoid bone; Description of data: See the results section for details.
DOI: 10.6084/m9.figshare.21622820.v1
title: Additional file 9 of The extrachromosomal circular DNAs of the rice blast pathogen Magnaporthe oryzae contain a wide variety of LTR retrotransposons, genes, and effectors

description: Additional file 9. List of eccDNA forming regions called using Illumina circularome sequencing data for O. sativa seed tissue published by Lanciano et al. [6]. The first column describes the sample the eccDNA was called with, the next three columns represent the genomic coordinates of the eccDNA forming region, and the last column represents the number of junction split reads used to call the eccDNA forming region.
DOI: 10.6084/m9.figshare.21622817.v1
title: Additional file 8 of The extrachromosomal circular DNAs of the rice blast pathogen Magnaporthe oryzae contain a wide variety of LTR retrotransposons, genes, and effectors

description: Additional file 8. List of eccDNA forming regions called using Illumina circularome sequencing data for O. sativa leaf tissue published by Lanciano et al. [6]. The first column describes the sample the eccDNA was called with, the next three columns represent the genomic coordinates of the eccDNA forming region, and the last column represents the number of junction split reads used to call the eccDNA forming region.
DOI: 10.6084/m9.figshare.21622811.v1
title: Additional file 7 of The extrachromosomal circular DNAs of the rice blast pathogen Magnaporthe oryzae contain a wide variety of LTR retrotransposons, genes, and effectors

description: Additional file 7. List of eccDNA forming regions called using Illumina circularome sequencing data for O. sativa in this study. The first column describes the sample the eccDNA forming region was called with, the next three columns represent the genomic coordinates of the eccDNA forming region, and the last column represents the number of junction split reads used to call the eccDNA forming region.
DOI: 10.6084/m9.figshare.21622808.v1
title: Additional file 6 of The extrachromosomal circular DNAs of the rice blast pathogen Magnaporthe oryzae contain a wide variety of LTR retrotransposons, genes, and effectors

description: Additional file 6. List of eccDNA forming regions called using Illumina circularome sequencing data for H. sapiens leukocytes published by Møller et al. [7]. The first column describes the sample the eccDNA was called with, the next three columns represent the genomic coordinates of the eccDNA forming region, and the last column represents the number of junction split reads used to call the eccDNA forming region.
DOI: 10.6084/m9.figshare.21622805.v1
title: Additional file 5 of The extrachromosomal circular DNAs of the rice blast pathogen Magnaporthe oryzae contain a wide variety of LTR retrotransposons, genes, and effectors

description: Additional file 5. List of eccDNA forming regions called using Illumina circularome sequencing data for H. sapiens muscle tissue published by Møller et al. [7]. The first column describes the sample the eccDNA was called with, the next three columns represent the genomic coordinates of the eccDNA forming region, and the last column represents the number of junction split reads used to call the eccDNA forming region.
DOI: 10.6084/m9.figshare.21622797.v1
title: Additional file 3 of Evidence for publicly reported quality indicators in residential long-term care: a systematic review

description: Additional file 3. List of included QIs with type of QI, measurement level and AIRE rating.
DOI: 10.6084/m9.figshare.21622796.v1
title: Additional file 3 of The extrachromosomal circular DNAs of the rice blast pathogen Magnaporthe oryzae contain a wide variety of LTR retrotransposons, genes, and effectors

description: Additional file 3. List of eccDNA forming regions called using PacBio circularome sequencing data for M. oryzae in this study. The first column describes the sample the eccDNA forming region was called with, the next three columns represent the genomic coordinates of the eccDNA forming region, and the last column represents the number of junction split reads used to call the eccDNA forming region.
DOI: 10.6084/m9.figshare.21623355
title: Raff Opioid Restraint ANOVA Supplementary Table #2

description: ANOVA results for Restraint Data - Opioid Project
DOI: 10.6084/m9.figshare.21622793.v1
title: Additional file 35 of The extrachromosomal circular DNAs of the rice blast pathogen Magnaporthe oryzae contain a wide variety of LTR retrotransposons, genes, and effectors

description: Additional file 35. List of Sequence Read Archive accessions for RNAseq data used in this study.
DOI: 10.6084/m9.figshare.21622790.v1
title: Additional file 34 of The extrachromosomal circular DNAs of the rice blast pathogen Magnaporthe oryzae contain a wide variety of LTR retrotransposons, genes, and effectors

description: Additional file 34. Genome, gene annotation, and transposable element annotation files used for comparative circularome analysis.
DOI: 10.6084/m9.figshare.21622787.v1
title: Additional file 33 of The extrachromosomal circular DNAs of the rice blast pathogen Magnaporthe oryzae contain a wide variety of LTR retrotransposons, genes, and effectors

description: Additional file 33 Consensus sequences of LTR retrotransposons in the M. oryzae Guy11 genome in FASTA format.
DOI: 10.6084/m9.figshare.21622784.v1
title: Additional file 32 of The extrachromosomal circular DNAs of the rice blast pathogen Magnaporthe oryzae contain a wide variety of LTR retrotransposons, genes, and effectors

description: Additional file 32. Sequences of barcodes used for library preparation of PacBio sequencing samples in FASTA format.
DOI: 10.6084/m9.figshare.21622781.v1
title: Additional file 31 of The extrachromosomal circular DNAs of the rice blast pathogen Magnaporthe oryzae contain a wide variety of LTR retrotransposons, genes, and effectors

description: Additional file 31. List showing names of barcodes used for each PacBio sequencing sample.
DOI: 10.6084/m9.figshare.21622778.v1
title: Additional file 30 of The extrachromosomal circular DNAs of the rice blast pathogen Magnaporthe oryzae contain a wide variety of LTR retrotransposons, genes, and effectors

description: Additional file 30. Enriched GO terms in the biological pathway ontology for eccDNA-absent genes. The first column lists the GO term, the second column lists the number of genes annotated with each term, the third column lists the number of genes observed in the eccDNA-absent category, the fourth column list the number of genes expected in that category, the fifth column shows is a description of the go term, the sixth column lists the Chi-square value for that GO term, and the final column lists the ratio of the observed number of genes in the eccDNA-associated category divided by the expected number of genes in that category.
DOI: 10.6084/m9.figshare.21622776.v1
title: Additional file 2 of Economic evaluation of COVID-19 rapid antigen screening programs in the workplace

description: Additional file 2. Details of costs.
DOI: 10.6084/m9.figshare.21622772.v1
title: Additional file 2 of The extrachromosomal circular DNAs of the rice blast pathogen Magnaporthe oryzae contain a wide variety of LTR retrotransposons, genes, and effectors

description: Additional file 2. List of eccDNA forming regions called using Illumina circularome sequencing data for M. oryzae in this study. The first column describes the sample the eccDNA forming region was called with, the next three columns represent the genomic coordinates of the eccDNA forming region, and the last column represents the number of junction split reads used to call the eccDNA forming region.
DOI: 10.6084/m9.figshare.21622769.v1
title: Additional file 29 of The extrachromosomal circular DNAs of the rice blast pathogen Magnaporthe oryzae contain a wide variety of LTR retrotransposons, genes, and effectors

description: Additional file 29. Enriched GO terms in the molecular function ontology for eccDNA-absent genes. The first column lists the GO term, the second column lists the number of genes annotated with each term, the third column lists the number of genes observed in the eccDNA-absent category, the fourth column list the number of genes expected in that category, the fifth column shows is a description of the go term, the sixth column lists the Chi-square value for that GO term, and the final column lists the ratio of the observed number of genes in the eccDNA-associated category divided by the expected number of genes in that category.
DOI: 10.6084/m9.figshare.21622766.v1
title: Additional file 28 of The extrachromosomal circular DNAs of the rice blast pathogen Magnaporthe oryzae contain a wide variety of LTR retrotransposons, genes, and effectors

description: Additional file 28. Enriched GO terms in the cellular components ontology for eccDNA-absent genes. The first column lists the GO term, the second column lists the number of genes annotated with each term, the third column lists the number of genes observed in the eccDNA-absent category, the fourth column list the number of genes expected in that category, the fifth column shows is a description of the go term, the sixth column lists the Chi-square value for that GO term, and the final column lists the ratio of the observed number of genes in the eccDNA-associated category divided by the expected number of genes in that category.
DOI: 10.6084/m9.figshare.21622763.v1
title: Additional file 27 of The extrachromosomal circular DNAs of the rice blast pathogen Magnaporthe oryzae contain a wide variety of LTR retrotransposons, genes, and effectors

description: Additional file 27. List of GenBank accessions for the genomes of M. oryzae used in this study to search for eccDNA-mediated translocations.