cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.7228353
title: Data from: Voice efficiency for different voice qualities combining experimentally derived sound signals and numerical modeling of the vocal tract

description: This dataset contains Stereo-Lithographic (STL) surface models of a human vocal tract, derived Finite-Element-Models, numerical results, and scripts for analyzing these results and (re-)running the computation. <strong>In the main folder, this dataset contains:</strong> 1) Python files (*fig*.py) for the creation of figures and tables (*tab*.py) 2) Python files (*.py) for analyzing Finite-Element (FE) calculations (x_resonances.py, x_libs.py, x_fem2excel.py) 3) Python-files (*.py) for analyzing stl-data (x_analyzeSTL.py) 4) Python files (*.py) for deriving Infinite-Impulse-Response (IIR) filter and their impulse responses (x_IIR.py) 5) Excel files (*.xlsx) containing Volume-velocity-transfer-functions (Vlg.xlsx), Pressure-transfer-functions at the lips (Hlg.xlsx), and the glottis (Hgg.xlsx) based on FE, the sound spectra of audio signals (sound_spectra.xlsx), the polynomials describing the IIR (IIR_polynomial.xlsx) and their impulse responses (IIR_impulse_responses.xlsx), and glottal waveforms (glottal_waveform.xlsx) and spectra (glottal_spectra.xlsx) 6) Several figures (*.pdf) <strong>In folder „x_fenics/x_Subject-1“ (and sub-folders), this data set contains:</strong> 1) Surface models of the human vocal tract for different voice qualities (glottis.stl, wall.stl, lips.stl) 2) Sub-volumes of the vocal tract cavities (*ET.stl, *HPl.stl, *HPu.stl, *OPf.stl, *OPr.stl, *SP.stl, *.VV.stl) 3) Derived gmsh volume meshes (*.msh) (www.gmsh.info) 3) Derived volume models applicable to FE-Solvers (*.h5, *.xdmf) 4) Results of the FE-calculation (*pvtf*.txt, *vvtf*.txt, *pglottis*.txt) 5) Formant frequencies computed by inverse filtering (*.for) <strong>In folder „x_fenics/x_misc“ the data set contains:</strong> 1) Python-files (*.py) for (re-)running the calculations using the FE-Method
description: please also cite: Fleischer M, Rummel S, Stritt F, Fischer J, Bock M, Echternach M, Richter B and Traser L (2022), Voice efficiency for different voice qualities combining experimentally derived sound signals and numerical modeling of the vocal tract. Front. Physiol. 13:1081622. doi: 10.3389/fphys.2022.1081622
DOI: 10.34740/kaggle/dsv/4798358
title: Elon Musk Tweets
DOI: 10.6084/m9.figshare.21803013
title: BOLD Spreadsheets

description: BOLD Spreadsheet downloaded on April 11, 2022 including the data used for "Facing the Infinity".
DOI: 10.6084/m9.figshare.21803013.v1
title: BOLD Spreadsheets

description: BOLD Spreadsheet downloaded on April 11, 2022 including the data used for "Facing the Infinity".
DOI: 10.6084/m9.figshare.1555334
title: Crowdfunding projects involving Australian university staff

description: The spreadsheet 'Crowdfunding research...' provides information on crowdfunding projects involving Australian university staff. Information is drawn from Pozible, Kickstarter, Indiegogo and Rockethub. Information covers the time period October 2011 to 21 August 2015. <br> Searches were conducted between 5 June 2015 – 28 January 2016, with results limited to projects that closed before 12 September 2015. <br> The spreadsheet '2022 - Research Crowdfunding v4' updates the Field of Research (FoR) codes to the 2020 versions. It adds charts that show the distribution of projects per 2020 FoR codes, campaigns per university per year, and amounts raised for all or nothing and keep it all campaigns. <br> The spreadsheet '2016 - Research Crowdfunding v3' tidies up some of the data, adds a key to explain each column heading in each sheet of the spreadsheet. It also includes Australian and New Zealand Field of Research (FoR) codes for each crowdfunding campaign. <br> The spreadsheet '2016 - Research Crowdfunding v2' provides an update with information drawn from Chuffed, FundScience, GetFunding, Indiegogo, Kickstarter, Pozible, Rockethub, and Thinkable. <br> <br> <br>
DOI: 10.6084/m9.figshare.1555334.v3
title: Crowdfunding projects involving Australian university staff

description: The spreadsheet 'Crowdfunding research...' provides information on crowdfunding projects involving Australian university staff. Information is drawn from Pozible, Kickstarter, Indiegogo and Rockethub. Information covers the time period October 2011 to 21 August 2015.The spreadsheet '2016 - Research Crowdfunding v2' provides an update with information drawn from Chuffed, FundScience, GetFunding, Indiegogo, Kickstarter, Pozible, Rockethub, and Thinkable.The spreadsheet '2016 - Research Crowdfunding v3' tidies up some of the data, adds a key to explain each column heading in each sheet of the spreadsheet. It also includes Australian and New Zealand Field of Research (FoR) codes for each crowdfunding campaign. Searches were conducted between 5 June 2015 – 28 January 2016, with results limited to projects that closed before 12 September 2015.
DOI: 10.6084/m9.figshare.21792197
title: Fungal plant pathogen table with FUNGuild

description: Potential fungal pathogens consisted of both those that were exclusively pathogenic or with mixed life styles, and were categorized with confidence of either highly probable or probable.
DOI: 10.6084/m9.figshare.21792197.v2
title: Fungal plant pathogen table with FUNGuild

description: Potential fungal pathogens consisted of both those that were exclusively pathogenic or with mixed life styles, and were categorized with confidence of either highly probable or probable.
DOI: 10.5281/zenodo.7498710
title: Traumatic events, post-traumatic stress disorder, and proxy measures for central sensitization in chronic pain patients of a German university outpatient pain clinic

description: This dataset was acquired at Hannover Medical School, Hannover, Germany. The study complied with the Declaration of Helsinki, and was approved by the local ethics committee. All subjects gave written informed consent, and consent to use their data anonymously for research purposes. The study was registered at ClinicalTrials.gov (NCT05190367). Between February 2019 and July 2020, 914 patients who visited our outpatient pain department gave written consent to use their routinely collected data anonymously for research purposes. Participants were divided into four groups depending on their trauma severity: (1) no trauma; (2) accidental trauma (e.g. illness, accident, natural disaster); (3) interpersonal trauma (e.g. assault, rape, war); (4) PTSD (diagnosed according to ICD-10). Patients fulfilling two or more categories were assigned to the highest group. Data were collected using the SymptomMapper application [1]. Participants provided information about their traumas, current pain intensity (visual analogue scale, VAS (0-100) [2]), mean and maximal pain in the last 4 weeks (VAS (0-100)), sleep impairment (VAS (0-100)), acceptable pain (VAS (0-100)), pain disability index (PDI [3]), pain area (digital drawings), pain widespreadness (widespread pain index, WPI [4], derived from drawings), stress (patient health questionnaire, German version, PHQ-D [5]), anxiety (PHQ-D), depression (PHQ-D), and somatization symptoms (PHQ-D). This dataset contains the raw data as well as necessary scripts for reproducing the results of this study. References<br> ########## [1] Neubert TA, Dusch M, Karst M, Beissner F. Designing a Tablet-Based Software App for Mapping Bodily Symptoms: Usability Evaluation and Reproducibility Analysis. JMIR Mhealth Uhealth 2018;6(5):e127.<br> [2] Dworkin RH, Turk DC, Farrar JT et al. Core outcome measures for chronic pain clinical trials: IMMPACT recommendations. Pain 2005;113(1):9-19.<br> [3] Pollard CA. Preliminary Validity Study of the Pain Disability Index. Percept Mot Skills 1984;59(3): 974.<br> [4] Wolfe F, Clauw DJ, Fitzcharles MA et al. The American College of Rheumatology Preliminary Diagnostic Criteria for Fibromyalgia and Measurement of Symptom Severity. Arthritis Care Res 2010;62(5):600-10.<br> [5] Löwe B, Spitzer RL, Zipfel S, Herzog W. Gesundheitsfragebogen für Patienten (PHQ-D). Manual und Testunterlagen (second edition). Pfizer 2002.
DOI: 10.5281/zenodo.7498709
title: Traumatic events, post-traumatic stress disorder, and proxy measures for central sensitization in chronic pain patients of a German university outpatient pain clinic

description: This dataset was acquired at Hannover Medical School, Hannover, Germany. The study complied with the Declaration of Helsinki, and was approved by the local ethics committee. All subjects gave written informed consent, and consent to use their data anonymously for research purposes. The study was registered at ClinicalTrials.gov (NCT05190367). Between February 2019 and July 2020, 914 patients who visited our outpatient pain department gave written consent to use their routinely collected data anonymously for research purposes. Participants were divided into four groups depending on their trauma severity: (1) no trauma; (2) accidental trauma (e.g. illness, accident, natural disaster); (3) interpersonal trauma (e.g. assault, rape, war); (4) PTSD (diagnosed according to ICD-10). Patients fulfilling two or more categories were assigned to the highest group. Data were collected using the SymptomMapper application [1]. Participants provided information about their traumas, current pain intensity (visual analogue scale, VAS (0-100) [2]), mean and maximal pain in the last 4 weeks (VAS (0-100)), sleep impairment (VAS (0-100)), acceptable pain (VAS (0-100)), pain disability index (PDI [3]), pain area (digital drawings), pain widespreadness (widespread pain index, WPI [4], derived from drawings), stress (patient health questionnaire, German version, PHQ-D [5]), anxiety (PHQ-D), depression (PHQ-D), and somatization symptoms (PHQ-D). This dataset contains the raw data as well as necessary scripts for reproducing the results of this study. References<br> ########## [1] Neubert TA, Dusch M, Karst M, Beissner F. Designing a Tablet-Based Software App for Mapping Bodily Symptoms: Usability Evaluation and Reproducibility Analysis. JMIR Mhealth Uhealth 2018;6(5):e127.<br> [2] Dworkin RH, Turk DC, Farrar JT et al. Core outcome measures for chronic pain clinical trials: IMMPACT recommendations. Pain 2005;113(1):9-19.<br> [3] Pollard CA. Preliminary Validity Study of the Pain Disability Index. Percept Mot Skills 1984;59(3): 974.<br> [4] Wolfe F, Clauw DJ, Fitzcharles MA et al. The American College of Rheumatology Preliminary Diagnostic Criteria for Fibromyalgia and Measurement of Symptom Severity. Arthritis Care Res 2010;62(5):600-10.<br> [5] Löwe B, Spitzer RL, Zipfel S, Herzog W. Gesundheitsfragebogen für Patienten (PHQ-D). Manual und Testunterlagen (second edition). Pfizer 2002.
DOI: 10.6084/m9.figshare.17081216
title: <i>In silico</i> structural analysis of secretory clusterin to assess pathogenicity of mutations identified in the evolutionarily conserved regions

description: Clusterin (CLU) is a secreted glycoprotein, heterodimeric in nature, and is expressed in a wide variety of tissues and body fluids such as serum and plasma. CLU has also been known to be a promising biomarker for cell death, malignancy, cancer progression, and resistance development. However, the lack of a CLU crystal structure obstructs understanding the possible role of reported mutations on the structure, and the subsequent effects on downstream signaling pathways and cancer progression. Considering the importance of crystal structure, a model structure of the pre-secretory isoform of CLU was built to predict the effect of mutations at the molecular level. <i>Ab initio</i> model was built using RaptorX, and loop refinement and energy minimization were carried out with ModLoop, ModRefiner, and GalaxyWeb servers. The cancer associated mutational spectra of CLU was retrieved from the cBioPortal server and 117 unique missense mutations were identified. Evolutionarily conserved regions and pathogenicity of mutations identified in CLU were analyzed using ConSurf and Rhapsody, respectively. Furthermore, sequence and structure-based mutational analysis were carried out with iSTABLE, DynaMut and PremPS servers. Molecular dynamics simulations were carried out with GROMACS for 50 ns to determine the stability of the wild type and mutant protein structures. A dynamically stable model structure of pre-secretory CLU (psCLU) which has high concurrence with the sequence based secondary structure predictions has been explored. Changes in the intra-atomic interactions and folding pattern between wild type and mutant structures were observed. To our conclusion, eleven mutations with the highest structural and functional significance have been predicted to have pathogenic and deleterious effects. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.17081216.v1
title: <i>In silico</i> structural analysis of secretory clusterin to assess pathogenicity of mutations identified in the evolutionarily conserved regions

description: Clusterin (CLU) is a secreted glycoprotein, heterodimeric in nature, and is expressed in a wide variety of tissues and body fluids such as serum and plasma. CLU has also been known to be a promising biomarker for cell death, malignancy, cancer progression, and resistance development. However, the lack of a CLU crystal structure obstructs understanding the possible role of reported mutations on the structure, and the subsequent effects on downstream signaling pathways and cancer progression. Considering the importance of crystal structure, a model structure of the pre-secretory isoform of CLU was built to predict the effect of mutations at the molecular level. <i>Ab initio</i> model was built using RaptorX, and loop refinement and energy minimization were carried out with ModLoop, ModRefiner, and GalaxyWeb servers. The cancer associated mutational spectra of CLU was retrieved from the cBioPortal server and 117 unique missense mutations were identified. Evolutionarily conserved regions and pathogenicity of mutations identified in CLU were analyzed using ConSurf and Rhapsody, respectively. Furthermore, sequence and structure-based mutational analysis were carried out with iSTABLE, DynaMut and PremPS servers. Molecular dynamics simulations were carried out with GROMACS for 50 ns to determine the stability of the wild type and mutant protein structures. A dynamically stable model structure of pre-secretory CLU (psCLU) which has high concurrence with the sequence based secondary structure predictions has been explored. Changes in the intra-atomic interactions and folding pattern between wild type and mutant structures were observed. To our conclusion, eleven mutations with the highest structural and functional significance have been predicted to have pathogenic and deleterious effects. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.17091710
title: Structural and theoretical investigations, Hirshfeld surface analysis and anti-SARS CoV-2 of nickel (II) coordination complex

description: A nickel(II) Schiff base complex, [Ni(L)(DMF)](<b>1</b>), was synthesized by treating NiCl<sub>2</sub>.6H<sub>2</sub>O with an ONS-donor Schiff base ligand(H<sub>2</sub>L) derived from the condensation 3,5-Dichlorosalicylaldehyde and 4,4-Dimethyl-3-thiosemicarbazide in DMF. The geometry around the center metal ion in [Ni(L)(DMF)](<b>1</b>) was square planar as revealed by the data collection from diffraction studies. DFT calculations were performed on the complex to get a structure-property relationship. Hirshfeld surface analysis was also carried out in the crystal structure of nickel (II) Schiff base complex. Additionally, inspiring from recent developments to find a potential inhibitor for <b>SARS-CoV-2</b> virus, we have also performed molecular docking study of [Ni(L)(DMF)](<b>1</b>) to see if our novel complex show affinity for main protease (M<sup>pro</sup>) of <b>SARS-CoV-2 M<sup>pro</sup></b> (PDB ID: 6LZE). Interestingly, the results are found quite encouraging where the binding affinity and inhibition constant was found to be −6.6 kcal/mol and 2.358 µM, respectively, for the best docked confirmation of complex [Ni(L)(DMF)](<b>1</b>) with M<sup>pro</sup> protein. This binding affinity is reasonably well as compared to recently known antiviral drugs. For instance, the binding affinity of complex [Ni(L)(DMF)](<b>1</b>) is found to be better than that of recently docking results of <b>anti-SARS-CoV-2</b> drugs like chloroquine (-6.293 kcal/mol), hydroxychloroquine (-5.573 kcal/mol) and remdesivir (-6.352 kcal/mol) when targeted to the active-site of SARS-CoV-2 M<sup>pro</sup>. Besides this, molecular docking against G25K GTP-nucleotide binding protein (PDB ID: 1A4R) was also studied. We believe that current results can intrigue not only for the biomedical community but also for the materials chemists who are engaged to explore the application coordination complexes. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.17091710.v1
title: Structural and theoretical investigations, Hirshfeld surface analysis and anti-SARS CoV-2 of nickel (II) coordination complex

description: A nickel(II) Schiff base complex, [Ni(L)(DMF)](<b>1</b>), was synthesized by treating NiCl<sub>2</sub>.6H<sub>2</sub>O with an ONS-donor Schiff base ligand(H<sub>2</sub>L) derived from the condensation 3,5-Dichlorosalicylaldehyde and 4,4-Dimethyl-3-thiosemicarbazide in DMF. The geometry around the center metal ion in [Ni(L)(DMF)](<b>1</b>) was square planar as revealed by the data collection from diffraction studies. DFT calculations were performed on the complex to get a structure-property relationship. Hirshfeld surface analysis was also carried out in the crystal structure of nickel (II) Schiff base complex. Additionally, inspiring from recent developments to find a potential inhibitor for <b>SARS-CoV-2</b> virus, we have also performed molecular docking study of [Ni(L)(DMF)](<b>1</b>) to see if our novel complex show affinity for main protease (M<sup>pro</sup>) of <b>SARS-CoV-2 M<sup>pro</sup></b> (PDB ID: 6LZE). Interestingly, the results are found quite encouraging where the binding affinity and inhibition constant was found to be −6.6 kcal/mol and 2.358 µM, respectively, for the best docked confirmation of complex [Ni(L)(DMF)](<b>1</b>) with M<sup>pro</sup> protein. This binding affinity is reasonably well as compared to recently known antiviral drugs. For instance, the binding affinity of complex [Ni(L)(DMF)](<b>1</b>) is found to be better than that of recently docking results of <b>anti-SARS-CoV-2</b> drugs like chloroquine (-6.293 kcal/mol), hydroxychloroquine (-5.573 kcal/mol) and remdesivir (-6.352 kcal/mol) when targeted to the active-site of SARS-CoV-2 M<sup>pro</sup>. Besides this, molecular docking against G25K GTP-nucleotide binding protein (PDB ID: 1A4R) was also studied. We believe that current results can intrigue not only for the biomedical community but also for the materials chemists who are engaged to explore the application coordination complexes. Communicated by Ramaswamy H. Sarma
DOI: 10.5281/zenodo.7492144
title: Dynamic antagonism between key repressive pathways maintains the placental epigenome (source data and custom code)

description: DNA and Histone-3 Lysine 27 methylation typically function as repressive modifications and operate within distinct genomic compartments. In mammals, the majority of the genome is kept in a DNA methylated state, whereas the Polycomb Repressive Complexes regulate the CpG-rich promoters of developmental genes. In contrast to this general framework, the extraembryonic lineages display noncanonical, globally intermediate DNA methylation levels that includes disruption of local Polycomb domains. To better understand this unusual landscape’s molecular properties, we genetically and chemically perturbed major epigenetic pathways in mouse Trophoblast Stem Cells (TSCs). We find that the extraembryonic epigenome reflects ongoing and dynamic de novo methyltransferase recruitment, which is continuously antagonized by Polycomb to maintain intermediate, locally disordered methylation. Despite its disorganized appearance, our data point to a highly controlled equilibrium between counteracting repressors within extraembryonic cells, one that can seemingly persist indefinitely without bistable features typically seen for embryonic forms of epigenetic regulation.
DOI: 10.5281/zenodo.7492143
title: Dynamic antagonism between key repressive pathways maintains the placental epigenome (source data and custom code)

description: DNA and Histone-3 Lysine 27 methylation typically function as repressive modifications and operate within distinct genomic compartments. In mammals, the majority of the genome is kept in a DNA methylated state, whereas the Polycomb Repressive Complexes regulate the CpG-rich promoters of developmental genes. In contrast to this general framework, the extraembryonic lineages display noncanonical, globally intermediate DNA methylation levels that includes disruption of local Polycomb domains. To better understand this unusual landscape’s molecular properties, we genetically and chemically perturbed major epigenetic pathways in mouse Trophoblast Stem Cells (TSCs). We find that the extraembryonic epigenome reflects ongoing and dynamic de novo methyltransferase recruitment, which is continuously antagonized by Polycomb to maintain intermediate, locally disordered methylation. Despite its disorganized appearance, our data point to a highly controlled equilibrium between counteracting repressors within extraembryonic cells, one that can seemingly persist indefinitely without bistable features typically seen for embryonic forms of epigenetic regulation.
DOI: 10.6084/m9.figshare.21803133
title: Ambidextrous Leadership and Ambidextrous Performance

description: This study selected the four state-owned mainstream media industries in Chongqing Municipality as the research targets, including the network media industry, the newspaper industry, the publishing industry, and the radio and television industry. Exactly 1,300 questionnaires were issued, with approximately 325 in each industry. In order to study the ambidextrous media professionals more specifically and promote the convergence development of the media industry, the samples are specifically targeted at the professional practitioners who are responsible for the design, operation, planning, production, and popularization, such as editors, journalists, news hosts, producers, designers, etc. A convenience sampling method was adopted. <br>
DOI: 10.6084/m9.figshare.21803133.v1
title: Ambidextrous Leadership and Ambidextrous Performance

description: This study selected the four state-owned mainstream media industries in Chongqing Municipality as the research targets, including the network media industry, the newspaper industry, the publishing industry, and the radio and television industry. Exactly 1,300 questionnaires were issued, with approximately 325 in each industry. In order to study the ambidextrous media professionals more specifically and promote the convergence development of the media industry, the samples are specifically targeted at the professional practitioners who are responsible for the design, operation, planning, production, and popularization, such as editors, journalists, news hosts, producers, designers, etc. A convenience sampling method was adopted. <br>