cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/2j9t6p5m3d.1
title: Data set for "Age differences in prospective memory: a further evaluation of the executive framework

description: In this study, a group of children (7−9 years; N = 108), adolescents (12−14 years; N = 112), and adults (17−23 years; N = 106) performed focal- and non-focal event-based prospective memory (EBPM) tasks, a time-based prospective memory (TBPM) task, and tasks measuring components of executive functioning, specifically working memory (running memory tasks differing in stimulus presentation time), response inhibition (go/no-go task), interference control (Stroop Color-Word task and flanker task), and task-switching ability (magnitude/parity judgment switching task). From these tasks, diverse standard performance (outcome) measures were derived, such as proportion of trials with a correct response, mean response times (RTs), interference scores (e.g., difference between RTs on incongruent and congruent trials), and switch cost (see target article for details). These outcome measures were used in analyses of variance, simple correlational, hierarchical regression, and mediation analyses to examine the predictive value of performance on the executive function tasks for explaining (age-related) performance differences on each of the three types of prospective memory task. The mediation analyses were performed focussing both on differences in prospective memory performances between and within the age groups. The between-age differences in focal EBPM and TBPM performance were mediated by tasks measuring working memory and/or inhibition. However, the within-age-group analyses only revealed working memory as significant mediator of TBPM performance in the adolescent group. Hence, which specific executive functions underlie age-related differences in prospective memory performances is importantly dependent on which specific age group(s) are examined. For each participant, the SPSS data file shows the corresponding gender, age, accuracy scores (proportion correct/incorrect responses) and/or mean RTs for the different tasks and outcome measures. The meaning of the columns is briefly described under variable viewlabel.
DOI: 10.17632/kt8h855hhc.1
title: Wide-field calcium imaging of cortical activity after combined rehabilitation

description: RehabDS Dataset. Subjects = ['GCaMP-ChR2-7', # CTRL 'GCaMP-ChR2-17', # CTRL "GCaMP-ChR2-23", # CTRL "GCaMP-ChR2-24", # CTRL 'GCaMP-ChR2-8', # STROKE "GCaMP-ChR2-9", # STROKE 'GCaMP-ChR2-19', # STROKE 'GCaMP-ChR2-22', # STROKE 'GCaMP-ChR2-25', # STROKE 'GCaMP-ChR2-26', # STROKE 'GCaMP-ChR2-11', # REHAB 'GCaMP-ChR2-12', # REHAB 'GCaMP-ChR2-14', # REHAB 'GCaMP-ChR2-15', # REHAB 'GCaMP16', # REHAB 'GCaMP18']. # REHAB Groups are defined accordingly to the paper. Data are arranged in the date/subject format, so that the top folder represents the day when data was acquired and the child folders contain data for the subject Every mat file is 3D vector where first dim = time. second and third dimension makes an image of size 200x200, use imshow to visualize it. Every .csv file has data parceled accordingly to the Allan Brain Atlas, masks files can be found in the masks folders Information about the masks names areas, centroids resolution of images in the mat file is 60 um/pixel Bregma is located at image coordinates 100, 75 Stroke coordinates : 0.5 mm AP 1.75 mm ML from bregma : image coordinates 129 (100+1750/60), 67(75-500/60) The masks have also been updated to match the resolution of the mat file images. The mat files are basically stack of images the first axis is time, the other axes generate the image coordinates (https://www.mathworks.com/help/images/image-coordinate-systems.html), for this you can use: 'MATLAB' &gt;&gt; imshow(squeeze(data(1,:,:))) "PYTHON" &gt;&gt;&gt; import numpy as np &gt;&gt;&gt; %pylab &gt;&gt;&gt; import scipy.io as io &gt;&gt;&gt; data = io.loadmat('171105/GCaMP22/gcamp22_171105_trialx15.aln.mat')['gcamp22_171105_trialx15'] &gt;&gt;&gt; imshow(data[0)) To show the first image of the sequence.
DOI: 10.17632/zjhtfp7wwt.1
title: JAAD-D-19-01125 Supplementary material

description: Supplemental table for publication JAAD-D-19-01125 (Hasan Ali O, et al. BP180-specific IgG is associated with skin adverse events, therapy response and overall survival in non-small cell lung cancer patients treated with checkpoint inhibitors. J Am Acad Dermatol. 2019)
DOI: 10.17632/7sgh6grm7g.1
title: Encoding the electrodynamics in spatiotemporal boundaries

description: Maxwell’s equations represented by differential operators describe the local dependence between both electric and magnetic fields in every location of space and time. This description responds to the field concept proposed by Michael Faraday and formalized by James Clerk Maxwell. The discretized version in the form of the finite-difference time-domain (FDTD) technique relies on a proposal of local computation of the respective differential operators making use of the central difference approximation of the second derivative of functions through the Taylor series expansion. This article introduces a novel time-symmetric “non-local” technique from the mathematical formalism of electromagnetic potentials in the wave equation and its physical interpretation in the Minkowski spacetime. In the proposed case study, the “non-local” proposal is 1643 faster than FDTD, i.e., more than three orders of magnitude, and it uses a time-step that is 4096 times greater than the Courant–Friedrichs–Lewy limit without encountering stability problems. New electromagnetic potentials are calculated from the previous and distant ones located at vertices of spatiotemporal regions called causal diamonds that tessellates spacetime without the need for computations inside them. We show that the performance gain is proportional to the size of the spacetime tessellations because the ratio “domain to boundary” increases as the domain extension does. Consequently, our novel “non-local” approach provides a reduction in computational complexity and a more comprehensible explanation of their fundamental physical aspects, without contradicting the principles of the successful classical field theory.
DOI: 10.17632/cn54hwyt5b.1
title: Data on commodity index investment in corn, soybeans, WTI crude oil and natural gas

description: The data is in Stata format and includes 2 files. The file named Agric has variables: spot price of Chicago corn and Chicago soybeans, the futures price of Chicago corn and Chicago soybeans and long positions of commodity index traders. The file named Energy contains variables on spot and futures prices of WTI crude oil and Henry Hub natural gas. The data is originally obtained from US commodity futures trading commission
DOI: 10.17632/rzc2yd2rvc.1
title: Multi-phase ELAStic Aggregates (MELASA) software tool for modeling anisotropic elastic properties of lamellar composites

description: We introduce a new web-based tool called MELASA (Multi-phase ELAStic Aggregates), open-access available at https://melasa.cerit-sc.cz, for computations and visualizations of anisotropic elastic properties of lamellar (nano-)composites. MELASA implements a linear-elasticity method by Grimsditch and Nizzoli (1986), originally developed for superlattices of any symmetry. Our tool may be used for computation of anisotropic elastic properties of a specific type of periodically separated lamellar (nano-)composites using matrices of elastic stiffnesses of co-existing phases as an input. Elastic properties are visualized in the form of directional dependencies of selected elastic characteristics (Young’s modulus and linear compressibility). MELASA further generalizes the Grimsditch–Nizzoli approach, which was originally formulated for only two phases, to multiple-phase composites. Additionally, our implementation allows for treating internal rotations of local coordination systems corresponding to the natural set of coordinates that match directional vectors of unit cell defining crystal lattice within the co-existing phases. Fe–Al-based superalloy nanocomposites are employed as a numerical example of superlattices with the input and output elastic stiffnesses determined by quantum-mechanical calculations. In particular, three different atomic configurations of interfaces in superlattices containing the ordered Fe_3 Al phase and a disordered Fe–Al phase with 18.75at.%Al (modeled by a special quasi-random structure, SQS) are considered. They differ by relative positions of sublattices in Fe_3 Al (an antiphase-like shift) and/or atomic planes in Fe-18.75at.%Al with respect to the interface (a circular/cyclic shift).
DOI: 10.17632/tprnvr5w25.1
title: GCA2019_data_and_code

description: We provide the original data and visualization scripts associated with "Importance of the size and distribution of chemical heterogeneities in the mantle source to the variations of isotope ratios and trace element abundances in mid-ocean ridge basalts" GCA2019
DOI: 10.17632/p39kb4fshj.1
title: Parallel point defect identification in molecular dynamics simulations without post-processing: A compute and dump style for LAMMPS

description: Two classes for the molecular dynamics program LAMMPS – one compute style and one dump style – are presented that are designed to identify, count, and output point defects in cascade damage and related molecular dynamics simulations. The calculations are done in parallel across multiple MPI processes, and can be done at the same time as the original simulation. This drastically reduces storage requirements by eliminating the need to post-process every atom in the system. Non-cubic lattices, free surfaces, and large voids can be eliminated from the output by suitable choices of the reference lattice. The classes are derived from LAMMPS’s Dump and Compute classes, and pose no additional overhead to LAMMPS if they are not used.
DOI: 10.17632/kmm8csh69w.1
title: The leakage through an inclined fracture of caprock in CO2 Sequestration
DOI: 10.17632/j4t8v9ccpb.1
title: Enhancer recognition and prediction during spermatogenesis based on deep convolutional neural networks

description: Enhancer recognition and prediction during spermatogenesis based on deep convolutional neural networks(Dataset)
DOI: 10.17632/b7f7d28ynd.1
title: A Python Multiscale Thermochemistry Toolbox (pMuTT) for thermochemical and kinetic parameter estimation

description: Estimating the thermochemical properties of systems is important in many fields such as material science and catalysis. The Python multiscale thermochemistry toolbox (pMuTT) is a Python software library developed to streamline the conversion of ab-initio data to thermochemical properties using statistical mechanics, to perform thermodynamic analysis, and to create input files for kinetic modeling software. Its open-source implementation in Python leverages existing scientific codes, encourages users to write scripts for their needs, and allows the code to be expanded easily. The core classes developed include a statistical mechanical model in which energy modes can be included or excluded to suit the application, empirical models for rapid thermodynamic property estimation, and a reaction model to calculate kinetic parameters or changes in thermodynamic properties. In addition, pMuTT supports other features, such as Brønsted–Evans–Polanyi (BEP) relationships, coverage effects, and ab-initio phase diagrams.
DOI: 10.17632/x5zsgzxcnx.1
title: maze: Heterogeneous ligand unbinding along transient protein tunnels

description: Recent developments in enhanced sampling methods showed that it is possible to reconstruct ligand unbinding pathways with spatial and temporal resolution inaccessible to experiments. Ideally, such techniques should provide an atomistic definition of possibly many reaction pathways, because crude estimates may lead either to overestimating energy barriers, or inability to sample hidden energy barriers that are not captured by reaction pathway estimates. Here we provide an implementation of a new method [Rydzewski and Valsson, J. Chem. Phys. 150, 221101 (2019)] dedicated entirely to sampling the reaction pathways of the ligand–protein dissociation process. The program, called maze, is implemented as an official module for PLUMED 2, an open source library for enhanced sampling in molecular systems, and comprises algorithms to find multiple heterogeneous reaction pathways of ligand unbinding from proteins during atomistic simulations. The maze module requires only a crystallographic structure to start a simulation, and does not depend on many ad hoc parameters. The program is based on enhanced sampling and non-convex optimization methods. To present its applicability and flexibility, we provide several examples of ligand unbinding pathways along transient protein tunnels reconstructed by maze in a model ligand–protein system, and discuss the details of the implementation.
DOI: 10.17632/fv2pvd8gyj.1
title: BMT J1M1

description: bronnen project
DOI: 10.14457/cu.the.2007.2133
title: Acceptable facial profiles in thai non-straight profile patients

description: Objective: This study aimed to determine the acceptable facial profiles in non-straight profile patients. Gender difference was also considered to have an effect on the profiles. Orthodontists were also asked to find out the possible differences in patients' facial profile preferences. Materials and Methods: The patients' pre-treatment lateral cephalometric radiographs were traced. Soft tissue landmarks (G, A, Pg') were marked and facial contour angles (FCA) were measured. Fifty-eight patients were selected by a purposive sampling method and divided into 3 groups: concave, straight, and convex profiles according to Thai norms. Nineteen orthodontists were included in this study as the gold standard group. FaceGen Modeller 3.1.2 software was used to create the facial profile distortion. Eight constructed facial profiles of each sex were presented - 2 straight profiles and the other 6 facial profiles starting from decreased FCA to the most concave profile and vice versa, arranged in random order. As a result, the acceptable facial profile evaluation of the questionnaire comprised 4 pages: male concave profiles, male convex profiles, female concave profiles and female convex profiles. The subjects were asked to choose as many "acceptable facial profiles" as they wished. The subjects were also asked to evaluate their facial profiles. The frequency of each selected profile was used in the calculations. Results: The straight profile was the most popular facial profile and convex profiles were more acceptable than concave profiles if there was equal deviation from the straight profile for both subjects and orthodontists. Convex profile subjects accepted convex profiles equally or more than any other profile subjects while concave profile subjects tended not to accept severe concave profiles. Male profiles were more acceptable if deviating from normal. Male subjects could accept the severe concave profiles more than females. Non-straight profile subjects could assess themselves more accurately than those with straight profiles. Conclusion: The acceptable facial profiles of straight, convex and concave profile subjects were different. Overall, patients' acceptable profiles showed the same trend with orthodontists. The gender of the subject and of the facial profile affected what was considered an acceptable profile.
DOI: 10.14457/cu.the.2007.2134
title: Chitosan nanoparticle as all-trans-retinyl acetate carrier : characterization and controlled release

description: In this work, mPEG-phthaloylchitosan (PPLC) and mPEG-4-methoxycinnamoylphthaloylchitosan (PCPLC) were synthesized. The PPLC and PCPLC were induced into nanoparticle by solvent displacement method. Their size and zeta potential were in the range of 50-60 nm and -23-30 mV, respectively. The antibacterial activity of mPEG-phthaloylchitosan (PPLC) and mPEG-4-methoxycinnamoylphthaloylchitosan (PCPLC) nanoparticles was evaluated by a turbidity method. Result showed that both nanoparticles could inhibit the growth of the Staphylococcus aureus ATCC 25923 and Escherichia coli ATCC 25922. Cytotoxicity evaluation of both nanoparticles indicated that both nanoparticles were not harmful toe human melanoma skin cell lines. In addition, All-trans retinyl acetate (ATRA) was loaded into both nanoparticles. Study of the pH effect (pH 4, 7 and 10) on release behaviors of ATRA from particles was investigated by dialysis method. The results indicated that the ATRA release was maximum at neutral pH.
DOI: 10.14457/cu.the.2007.2135
title: Influence of draft tube configuration on hydrodynamic properties and mass transfer in large scale airlift contactors

description: Large scale internal loop airlift contactors were examined for their hydrodynamic and mass transfer behavior using tap water and saline solution. These behavior was manipulated by changing the number of draft tubes while keeping the ratio between downcomer and riser cross sectional area constant at 2.1. The results showed that the number of draft tube could have effects on: gas holdup, liquid velocity, and gas-liquid mass transfer. Increasing the number of draft tubes seemed to promote a better liquid movement with higher gas holdup where the overall gas holdup of 0.008 was obtained in the airlift with a conventional one draft tube airlift, whereas this was increased to 0.010 when there were five draft tubes. Liquid velocity seemed to also increase with an increase in the draft tube number and this velocity was 24 cm/s with one draft tube, and 28 cm/s with five draft tubes. Five draft tubes seemed to provide the best level of mass transfer where k[subscript L]a increased from 0.0024 to 0.0031 1/s with an increase in the number of draft tubes from 1 to 5, respectively. In the airlift with five and six draft tubes, two configurations were examined, one with draft tube installed around the peripheral of the outer column, and the other with one draft tube in the center and the rest surrounding the central draft tube. However, the pattern of draft tube configurations did not seem to have great effect on overall gas holdup, and riser liquid velocity and mass transfer. The salinity raised the liquid phase surface tension which resulted that smaller bubble formation. Overall gas holdup in tap water was always less than in saline water, but changes in salinity of the water medium from 15, 30 and 45 ppt did not show impacts on overall gas holdup and riser liquid velocity. However, smaller bubble enhanced the surface area, and hence, increased the rate of mass transfer within the system.
DOI: 10.14457/cu.the.2007.2136
title: The roles of notch signaling pathway in regulating macrophage functions

description: Notch receptors are evolutionarily conserved transmembrane proteins found in metazoans. Notch receptors are expressed in both hematopoietic and immune cells including macrophages. Notch signaling is involved in regulation of proliferation, differentiation and apoptosis. Macrophages are white blood cells playing important roles in both innate and acquired immunity. Macrophages destroy antigen by phagocytosis, and mediate immune responses by cytokine secretion and antigen presentation. Activated macrophages are divided into 3 types, Ca-[Macrophage], AA-[Macrophage] and [Macrophage]-II, based on stimuli and phenotypic responses. The purposes of this study are to investigate the roles of Notch signaling in regulating macrophage functions and the relationship between expression profiles of Notch1 in three different types of activated macrophages. Expression of Notch receptors and Notch target gene, Hes1 in activated macrophages were observed and both Notch1 and Hes1 were upregulated in Ca-[Macrophage]. In addition, Ca-[Macrophage] was differentially expressed IL-12p40, iNOS, Arg1, IL-10, TNF[alpha] and MHC class II. Notch1 overexpression or inhibition of Notch signaling using [gamma]-secretase inhibitor altered expression of IL-12p40, iNOS, Arg1, IL-10, TNF[alpha], MHC class II and nitric oxide and TNF[alpha] production but did not affect the ability of macrophages to kill both Gram positive and negative bacteria. Thus, Notch1 may involve in the responses of macrophages followed this stimulation. Furthermore, Ca-[Macrophage] showed the highest Notch1 expression among three different types of macrophages. This result suggests that Notch1 may function specifically in regulating Ca-[Macrophage] function. Therefore, Notch signaling may be a novel target for intervention with macrophage activity such as in chronic inflammatory condition arising from hyperactivation of macrophages.
DOI: 10.14457/cu.the.2007.2137
title: Synthesis and binding properties of ditopic receptors based on hexahomotriazacalix[3]arene and electrochemically active dendrimers

description: Hexahomotriaza-p-chlorocalix[3]arene (L1) was successfully by synthesized and functionalized to provide two novel heteroditopic sensors. From complexation studies, the hexahomotriaza-p-chlorocalix[3]arene could be used as a selective chromogenic sensor for F[superscript -] and H[subscript 2]PO[subscript 4][superscript -]. The partial-cone hexahomotriaza-p-chlorocalix[3]-trinaphthylamide (L2) synthesized from both cone and partial cone triester derivatives exhibited a selective fluorescent sensor for Cd[superscript 2+], Pb[superscript 2+] and F[superscript -]. Hexahomotriaza-p-chlorocalix[3]-cryptand (L3) which is fixed in cone conformation and possesses a close well-defined cavity showed a high selectivity for Cl[superscript -] ion. Tuning this ligand by complexing with Zn[superscript 2+] on hexahomotriaza-p-chlorocalix[3]arene framework, its anion binding selectivity changed to Br[superscript -] ion. Moreover, a new class of chemosensor recognition elements based on conjugated polymer network ultra-thin films from electrochemical cross-linking of hexahomotriaza-p-chlorocalix[3]arene-carbazole (L4) was successfully realized. Its demonstrated high selectivity and sensitivity towards Zn[superscript 2+] was observed. A self-assembly between polyamidoamine (PAMAM) dendrimer and dendron surfmers (G[subscript 0]COOH, G[subscript 1]COOH and G[subscript 1]COOH) was prepared through an efficient supramolecular interaction. The electrochemical cross-linking of dendrimer complexes (PAMAM-G[subscript 1]COOH) provided thin films which have a ring-like or donut structure most likely composed of the PAMAM-core and dendron-carbazole shell. In addition, [pi]-conjugated dendrimer-protected gold nanoparticles in a stable colloidal form have been successfully prepared via simultaneous reduction of AuCl[subscript 3] with terthiophene (PT) and carbazole (PC) peripheral functionalized PAMAM dendrimers.
DOI: 10.17632/vcxtsv7rkk.1
title: Data for "Purification Strategy and Effect of Impurities on Corrosivity of Molten Ternary MgCl2-KCl-NaCl Chloride Salt"

description: This dataset contains corrosion data for dehydrated carnallite based on weight loss, ICP chemical analysis of dehydrated carnallite at different stages of purification and the corresponding MgOHCl content measured by analytical titration.