cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.25415/ujhb.20390478
title: Modulating the Band Structure of Metal Coordinated Salen COFs and an In Situ Constructed Charge Transfer Heterostructure for Electrocatalysis Hydrogen Evolution

description:  A series of crystalline, stable Metal (Metal = Zn, Cu, Ni, Co, Fe, and Mn)-Salen covalent organic framework (COF)EDA complex are prepared to continuously tune the band structure of Metal-Salen COFEDA, with the purpose of optimizing the free energy intermediate species during the hydrogen evolution reaction (HER) process. The conductive macromolecular poly(3,4-ethylenedioxythiophene) (PEDOT) is subsequently integrated into the one-dimensional (1D) channel arrays of Metal-Salen COFEDA to form heterostructure PEDOT@Metal-Salen COFEDA via the in situ solid-state polymerization method. Among the Metal-Salen COFEDA and PEDOT@Metal-Salen COFEDA complexes, the optimized PEDOT@Mn-Salen COFEDA displays prominent electrochemical activity with an overpotential of 150 mV and a Tafel slope of 43 mV dec−1. The experimental results and density of states data show that the continuous energy band structure modulation in Metal-Salen COFEDA has the ability to make the metal <em>d</em>-orbital interact better with the <em>s</em>-orbital of H, which is conducive to electron transport in the HER process. Moreover, the calculated charge density difference indicates that the heterostructures composed of PEDOT and Metal-Salen COFEDA induce an intramolecular charge transfer and construct highly active interfacial sites.
DOI: 10.25415/ujhb.20390478.v1
title: Modulating the Band Structure of Metal Coordinated Salen COFs and an In Situ Constructed Charge Transfer Heterostructure for Electrocatalysis Hydrogen Evolution

description:  A series of crystalline, stable Metal (Metal = Zn, Cu, Ni, Co, Fe, and Mn)-Salen covalent organic framework (COF)EDA complex are prepared to continuously tune the band structure of Metal-Salen COFEDA, with the purpose of optimizing the free energy intermediate species during the hydrogen evolution reaction (HER) process. The conductive macromolecular poly(3,4-ethylenedioxythiophene) (PEDOT) is subsequently integrated into the one-dimensional (1D) channel arrays of Metal-Salen COFEDA to form heterostructure PEDOT@Metal-Salen COFEDA via the in situ solid-state polymerization method. Among the Metal-Salen COFEDA and PEDOT@Metal-Salen COFEDA complexes, the optimized PEDOT@Mn-Salen COFEDA displays prominent electrochemical activity with an overpotential of 150 mV and a Tafel slope of 43 mV dec−1. The experimental results and density of states data show that the continuous energy band structure modulation in Metal-Salen COFEDA has the ability to make the metal <em>d</em>-orbital interact better with the <em>s</em>-orbital of H, which is conducive to electron transport in the HER process. Moreover, the calculated charge density difference indicates that the heterostructures composed of PEDOT and Metal-Salen COFEDA induce an intramolecular charge transfer and construct highly active interfacial sites.
DOI: 10.6084/m9.figshare.13050454
title: Vagal Suppression Buffers Against the Negative Effects of Psychological Inflexibility on Parenting Behaviors in Combat Deployed Fathers

description: <b><i>Objective</i></b>: Vagal suppression is a parasympathetic physiological indicator of emotion regulation and social engagement behaviors, often measured via heart rate variability. Experiential avoidance reflects psychological inflexibility or poor emotion regulation. We tested the interaction effects of parental vagal suppression and experiential avoidance on observed parenting behaviors among combat deployed fathers. <i><b>Design</b></i>. We analyzed data from 92 male National Guard/Reserve members who had returned from a deployment to Iraq and/or Afghanistan since 2001. They were mostly European American, in their 30s, middle-class, and married. All fathers participated in home-based assessments with their spouses (if married) and a target child aged 4–13 years. Fathers’ vagal suppression was measured as the decrease in cardiac vagal tone (i.e., high frequency heart rate variability) from a neutral reading task to a father-child conflict resolution task. Experiential avoidance was self-reported. Parenting behaviors were observed during family interaction tasks and coded into positive engagement and withdrawal avoidance using a macro-level coding system. <i><b>Results</b></i>. Multiple regression analysis showed no main effects of vagal suppression on observed parenting, but interaction effects of experiential avoidance by vagal suppression on observed parenting. Specifically, among fathers with higher vagal suppression, we found no relations between experiential avoidance and observed parenting; among fathers with lower vagal suppression, we found an inverse association between experiential avoidance and positive engagement as well as a positive association between experiential avoidance and withdrawal avoidance. <i><b>Conclusions</b></i>. The effect of psychological inflexibility on military fathers’ parenting behaviors was moderated by vagal suppression. The findings have implications for the linkage between emotion regulation and parenting in military fathers.
DOI: 10.6084/m9.figshare.13050454.v1
title: Vagal Suppression Buffers Against the Negative Effects of Psychological Inflexibility on Parenting Behaviors in Combat Deployed Fathers

description: <b><i>Objective</i></b>: Vagal suppression is a parasympathetic physiological indicator of emotion regulation and social engagement behaviors, often measured via heart rate variability. Experiential avoidance reflects psychological inflexibility or poor emotion regulation. We tested the interaction effects of parental vagal suppression and experiential avoidance on observed parenting behaviors among combat deployed fathers. <i><b>Design</b></i>. We analyzed data from 92 male National Guard/Reserve members who had returned from a deployment to Iraq and/or Afghanistan since 2001. They were mostly European American, in their 30s, middle-class, and married. All fathers participated in home-based assessments with their spouses (if married) and a target child aged 4–13 years. Fathers’ vagal suppression was measured as the decrease in cardiac vagal tone (i.e., high frequency heart rate variability) from a neutral reading task to a father-child conflict resolution task. Experiential avoidance was self-reported. Parenting behaviors were observed during family interaction tasks and coded into positive engagement and withdrawal avoidance using a macro-level coding system. <i><b>Results</b></i>. Multiple regression analysis showed no main effects of vagal suppression on observed parenting, but interaction effects of experiential avoidance by vagal suppression on observed parenting. Specifically, among fathers with higher vagal suppression, we found no relations between experiential avoidance and observed parenting; among fathers with lower vagal suppression, we found an inverse association between experiential avoidance and positive engagement as well as a positive association between experiential avoidance and withdrawal avoidance. <i><b>Conclusions</b></i>. The effect of psychological inflexibility on military fathers’ parenting behaviors was moderated by vagal suppression. The findings have implications for the linkage between emotion regulation and parenting in military fathers.
DOI: 10.25415/ujhb.20390508
title: Nonsacrificial Nitrile Additive for Armoring High-Voltage LiNi0.83Co0.07Mn0.1O2 Cathode with Reliable Electrode–Electrolyte Interface toward Durable Battery

description:  High-capacity Ni-rich layered oxides are considered as promising cathodes for lithium-ion batteries. However, the practical applications of LiNi0.83Co0.07Mn0.1O2 (NCM83) cathode are challenged by continuous transition metal (TM) dissolution, microcracks and mixed arrangement of nickel and lithium sites, which are usually induced by deleterious cathode–electrolyte reactions. Herein, it is reported that those side reactions are limited by a reliable cathode electrolyte interface (CEI) layer formed by implanting a nonsacrificial nitrile additive. In this modified electrolyte, 1,3,6-Hexanetricarbonitrile (HTCN) plays a nonsacrificial role in modifying the composition, thickness, and formation mechanism of the CEI layers toward improved cycling stability. It is revealed that HTCN and 1,2-Bis(2-cyanoethoxy)ethane (DENE) are inclined to coordinate with the TM. HTCN can stably anchor on the NCM83 surface as a reliable CEI framework, in contrast, the prior decomposition of DENE additives will damage the CEI layer. As a result, the NCM83/graphite full cells with the LiPF6-EC/DEC-HTCN (BE-HTCN) electrolyte deliver a high capacity retention of 81.42% at 1 C after 300 cycles at a cutoff voltage of 4.5 V, whereas BE and BE-DENE electrolytes only deliver 64.01% and 60.05%. This nonsacrificial nitrile additive manipulation provides valuable guidance for developing aggressive high-capacity Ni-rich cathodes.
DOI: 10.25415/ujhb.20390508.v1
title: Nonsacrificial Nitrile Additive for Armoring High-Voltage LiNi0.83Co0.07Mn0.1O2 Cathode with Reliable Electrode–Electrolyte Interface toward Durable Battery

description:  High-capacity Ni-rich layered oxides are considered as promising cathodes for lithium-ion batteries. However, the practical applications of LiNi0.83Co0.07Mn0.1O2 (NCM83) cathode are challenged by continuous transition metal (TM) dissolution, microcracks and mixed arrangement of nickel and lithium sites, which are usually induced by deleterious cathode–electrolyte reactions. Herein, it is reported that those side reactions are limited by a reliable cathode electrolyte interface (CEI) layer formed by implanting a nonsacrificial nitrile additive. In this modified electrolyte, 1,3,6-Hexanetricarbonitrile (HTCN) plays a nonsacrificial role in modifying the composition, thickness, and formation mechanism of the CEI layers toward improved cycling stability. It is revealed that HTCN and 1,2-Bis(2-cyanoethoxy)ethane (DENE) are inclined to coordinate with the TM. HTCN can stably anchor on the NCM83 surface as a reliable CEI framework, in contrast, the prior decomposition of DENE additives will damage the CEI layer. As a result, the NCM83/graphite full cells with the LiPF6-EC/DEC-HTCN (BE-HTCN) electrolyte deliver a high capacity retention of 81.42% at 1 C after 300 cycles at a cutoff voltage of 4.5 V, whereas BE and BE-DENE electrolytes only deliver 64.01% and 60.05%. This nonsacrificial nitrile additive manipulation provides valuable guidance for developing aggressive high-capacity Ni-rich cathodes.
DOI: 10.6084/m9.figshare.20390519
title: Automated Measurement of Ocular Movements Using Deep Learning-Based Image Analysis

description: Clinical assessment of ocular movements is essential for the diagnosis and management of ocular motility disorders. This study aimed to propose a deep learning-based image analysis to automatically measure ocular movements based on photographs and to investigate the relationship between ocular movements and age. 207 healthy volunteers (414 eyes) aged 5–60 years were enrolled in this study. Photographs were taken in the cardinal gaze positions. Ocular movements were manually measured based on a modified limbus test using ImageJ and automatically measured by our deep learning-based image analysis. Correlation analyses and Bland-Altman analyses were conducted to assess the agreement between manual and automated measurements. The relationship between ocular movements and age were analyzed using generalized estimating equations. The intraclass correlation coefficients between manual and automated measurements of six extraocular muscles ranged from 0.802 to 0.848 (<i>P</i> &lt; 0.001), and the bias ranged from −0.63 mm to 0.71 mm. The average measurements were 8.62 ± 1.07 mm for superior rectus, 7.77 ± 1.24 mm for inferior oblique, 6.99 ± 1.23 mm for lateral rectus, 6.71 ± 1.22 mm for medial rectus, 6.81 ± 1.20 mm for inferior rectus, and 6.63 ± 1.37 mm for superior oblique, respectively. Ocular movements in each cardinal gaze position were negatively related to age (<i>P</i> &lt; 0.05). The automated measurements of ocular movements using a deep learning-based approach were in excellent agreement with the manual measurements. This new approach allows objective assessment of ocular movements and shows great potential in the diagnosis and management of ocular motility disorders.
DOI: 10.6084/m9.figshare.20390519.v1
title: Automated Measurement of Ocular Movements Using Deep Learning-Based Image Analysis

description: Clinical assessment of ocular movements is essential for the diagnosis and management of ocular motility disorders. This study aimed to propose a deep learning-based image analysis to automatically measure ocular movements based on photographs and to investigate the relationship between ocular movements and age. 207 healthy volunteers (414 eyes) aged 5–60 years were enrolled in this study. Photographs were taken in the cardinal gaze positions. Ocular movements were manually measured based on a modified limbus test using ImageJ and automatically measured by our deep learning-based image analysis. Correlation analyses and Bland-Altman analyses were conducted to assess the agreement between manual and automated measurements. The relationship between ocular movements and age were analyzed using generalized estimating equations. The intraclass correlation coefficients between manual and automated measurements of six extraocular muscles ranged from 0.802 to 0.848 (<i>P</i> &lt; 0.001), and the bias ranged from −0.63 mm to 0.71 mm. The average measurements were 8.62 ± 1.07 mm for superior rectus, 7.77 ± 1.24 mm for inferior oblique, 6.99 ± 1.23 mm for lateral rectus, 6.71 ± 1.22 mm for medial rectus, 6.81 ± 1.20 mm for inferior rectus, and 6.63 ± 1.37 mm for superior oblique, respectively. Ocular movements in each cardinal gaze position were negatively related to age (<i>P</i> &lt; 0.05). The automated measurements of ocular movements using a deep learning-based approach were in excellent agreement with the manual measurements. This new approach allows objective assessment of ocular movements and shows great potential in the diagnosis and management of ocular motility disorders.
DOI: 10.6084/m9.figshare.15147642
title: The genetic structure of the Turkish population reveals high levels of variation and admixture

description: Turkish Variome contains allele frequencies of 46,739,479 variants of 3,362 unrelated Turkish individuals.
DOI: 10.15151/esrf-dc-1468846919
title: NORWAY BAG

description: The fifteen PIs associated to this proposal represent the entire crystallography community in Norway and are affiliated to the major Norwegian universities. The research interests of the PIs and their collaborators revolves around topics linked to structural biology and material sciences. Examples of research projects or topics are carbohydrate-active proteins of medical or bioeconomic relevance, inhibition of DNA repair enzymes, metalloprotein function and catalysis, regulation of cell-cycle processes, enzyme discovery, antibiotic resistance/drug-discovery and neurological diseases. Our overarching aim is to use bright synchrotron sources to produce high quality science.
DOI: 10.17632/8xwxrb4jft.1
title: Risk Register for Nano-Microsatellite projects

description: File contains risk register created for Nano and micro satelite projects within the article Tailored Continuous Risk Management in Nanosatellite Space Project VZLUSAT-1 using FMECA. Risk register is created based on discussion with the VZLUSAT-1 team. The risk register is used to summarize all the findings of project risk assessment in the VZLUSAT microsatellite project. The categories discovered as worth exploring in any microsatellite project are the following: System design and construction - recommend launching FMECA on each subsystem of satellite and its potential failure modes – mainly including the on-board computer, communication, battery, storage, and orientation systems Finance – sufficient funding not only for manufacture and research of the satellite but especially for testing, launching an operation is truly a long-term project, the estimated cost of VZLUSAT is around 1 200 000 EUR (Veřtát, 2018) Personal – due to the innovative nature and problematic funding of the project, the true ownership and personal interest of team members requires a certain level of personal interest in the project to avoid burnout in any of the satellite project stages Managerial – as the project team consisted of members from various partner companies and universities, one must keep the communication and knowledge transfer challenges in mind and be ready to work with them Testing and certification – as the earth orbit is closely monitored by space agencies such as NASA and ESA, and microsatellites are launched on vehicles with additional payloads, various tests and certification must be completed prior to launch. The requirements should be deeply explored already in the design stage to prevent future problems. It is worth mentioning that as in other projects the positive part of risks should not be skipped and the opportunities should also be identified. They consist mostly of the prolonged mission period, cost savings and technological advancements. The risk register was constructed as part of continuous risk management effort after the satellite launch with the team member still involved in the project. Due to lack of personnel and finance the risk register is limited and will be later extended as part of VZLUSAT-2 project. The system design and construction part of the risk register was conducted based on the FMECA, the managerial, personal and finance risks were added to the risk register as part of team brainstorming workshop outcomes.
DOI: 10.18462/iir.icr.2015.1001
title: Expanding market of 4KGM cryocooler.

description: There are several types of cryocoolers that generate cooling power at cryogenic temperatures. The Gifford-McMahon (GM) cryocooler is the most widely used cryocooler in industrial applications such as cryopumps for semiconductor manufacturing, MRI (Magnetic Resonance Imaging), etc., due to high reliability and ease of operation and handling. GM cryocoolers are closed-cycle regenerative refrigerators originally invented by Gifford and McMahon in 1959. The lowest temperature of commercial GM cryocoolers had been around 10K, primarily due to the very low specific heat capacity of conventionally-used regenerator material (Pb) below 10K. 10K cryocoolers functioned to reduce liquid helium boil-off in superconducting applications, particularly MRI. As MRI and other superconducting applications continued to develop commercially, liquid helium became scarcer and more expensive. This drove the need for cryocoolers to reliably achieve 4K temperatures to further reduce, and even eliminate, helium losses. Research and development activities began in the late 1980s and early 1990s, specifically focused on new regenerator materials and gas sealing technologies to address this need. The world's first 4KGM cryocooler was commercialized in 1996, which became an enabling technology for “zero boil-off” superconducting applications.
DOI: 10.5281/zenodo.2596067
title: Socio-economic and cultural dataset in relation to Persuasive Strategies to boost Energy Efficiency and in the UK, Spain, Greece and Austria

description: The questionnaire is provided in pdf "GreenSoul_Questionnaire.pdf"

The coded data from 303 interviewees is provided in "all_code_final_zenodo.xlsx"

The dataset is composed of several factors which are all explained in different TXT files.

    * socio-economic_description_not_dependent_of_work.txt<br>
        - Contains all the information from participants which is irrespective of their current workplace. This file contains typical socio-demographic and cultural attributes from respondents.

    * socio-economic_description_dependent_of_work.txt<br>
        - Contains socio-economic and cultural information from participants which is relevant to the workplace in relation to energy efficient practices in such an environment.

    * actions-at-work.txt<br>
        - Are a set of attributes which describe certain practices of employees in relation to energy efficiency.

    * persuasive_strategies.txt<br>
        - Explain the ratings from 1 to 5 that participants attributed to a set of persuasive strategies. These strategies are framed within Psychological Persuasive principles which are also explained in the file.

    * all_attributes_together.txt<br>
        - All the variables together without distinction of the environment where they are applicable.

 

Finally, plots from every construct or attribute are provided in the files uploaded in "PNG" extension
DOI: 10.5281/zenodo.8173411
title: Analytical method for reconstructing the stress on a spherical particle from its surface deformation

description: Supplemental data for the following manuscript: Lea Johanna Krüger, Michael te Vrugt, Stephan Bröker, Bernhard Wallmeyer, Timo Betz, Raphael Wittkowski, "Analytical method for reconstructing the stress on a spherical particle from its surface deformation".
Bead1_ExperimentalData.tif and Bead2_ExperimentalData.tif contain the measured bead shapes as TIF files. Bead1_ExperimentalData.txt and Bead2_ExperimentalData.txt contain the measured bead shapes as point clouds. Bead1_SphericalHarmonicsExpansionCoefficients.txt and Bead2_SphericalHarmonicsExpansionCoefficients.txt contain expansions of the bead shapes into spherical harmonics.
description: M.t.V., T.B., and R.W. are funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) - Project-IDs 525063330, BE 6270/2-1, and 433682494 - SFB 1459.
DOI: 10.5517/ccdc.csd.cc21vpf1
title: CCDC 1902483: Experimental Crystal Structure Determination

description: Related Article: Gary S. Nichol, Daniel J. Cutler, Euan K. Brechin|2019|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.17632/mpph6bmn7g.1
title: Inertial sensor dataset for Dog Posture Recognition 

description: This dataset contains inertial data collected from 42 healthy apprentice dogs (1 Golden Retriever, 16 Labrador Retrievers and 25 Crosses) participating in the assistance dog programme.  During the video recorded data collection session, five postures (Standing, Sitting, Lying down, Walking, and Body shake) were annotated and further classified into two types (Dynamic, Static).  The subjects wore inertial measurement units (IMUs) in three locations (back, neck, and chest) simultaneously. Inertial data were gathered using ActiGraph GT9X Links (Actigraph LLC, Pensacola, USA) containing three-axial accelerometer, gyroscope and magnetometer with a 100Hz sampling rate. A detailed description of the data provided in each of the .csv files is presented in the readme.md file. 

The authors of the dataset request researchers to cite the publication when using the data and publishing results produced using it.  

Ethical approval has been granted by Animal Ethics Experimentation Committee (AEEC) and Social Research Ethics Committee (SREC) at University College Cork (UCC). This publication has emanated from research supported in part by a grant from The Ireland-Wales INTERREG Programme under the CALIN project [PG; grant number 80885; https://irelandwales.eu/projects/calin], from Science Foundation Ireland (SFI) [PG, BO; grant number 12/RC/2289-P2; https://www.sfi.ie/]; from SFI and Department of Agriculture, Food and Marine [PG, BO; grant number 16/RC/3835; https://www.sfi.ie/, https://www.gov.ie/en/organisation/department-of-agriculture-food-and-the-marine/]. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.