cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.5208829
title: Interstellar silicate profile towards Galactic Center

description: Data set from Kemper et al. 2004, Astrophys. J. 609, 826, doi:10.1086/421339, http://adsabs.harvard.edu/abs/2004ApJ...609..826K<br>sgr_wjv_tot.dat: observed spectrum towards Sgr A*. Columns are wavelength (micron), flux (Jy), error (Jy), according to Figure 20 of W.J. Vriend's thesis. <br>sgra_tau2_wjv.dat: Optical depth in the silicate feature, 8-13 micron. This spectrum represents the <b>interstellar silicate profile </b>and this is what you want to use in comparison with silicate features elsewhere, or directly with mass absorption coefficients or opacities.<br>GCS3_abs4.txt: Optical depth spectrum of GCS3, from 7-13 micron. GCS3_mgr.txt: Observed spectrum of GCS3<br>GCS4_abs4.txt: Optical depth spectrum of GCS4, from 7-13 micron. GCS4_mgr.txt: Observed spectrum of GCS4<br>Direct any questions to Ciska Kemper at ciska@asiaa.sinica.edu.tw
DOI: 10.17028/rd.lboro.5208826.v1
title: Data used in 'Investigation of polymer electrolyte membrane fuel cell internal behavior during long term operation and its use in prognostics'

description: This data-set has been used in the above paper (Investigation of polymer electrolyte membrane fuel cell internal behavior during long term operation and its use in prognostics) to investigate the variation of fuel cell parameters with the equations in the paper.<br>The deposit consists of a zip folder which can be extracted using 7-zip. The data files are in .csv format.
DOI: 10.6084/m9.figshare.5208814
title: The data set of antibacterial effect of moth-eye films

description: This is the underlying data set to describe the results on "Antibacterial Effects of the Artificial Surface of Nanoimprinted Moth-eye Film".
DOI: 10.6084/m9.figshare.5208808
title: experiment data (Apparent shift in long-range motion trajectory by local pattern orientation)

description: _prm.xls: monitor&experiment configuration<br>exp01: frame duration（50, 100, or 200ms）<br>exp02: frame number (5, 9, or 24)<br>exp03: adaptation ※exp03ad.prm is results for non-adaptation condition<br>exp04: shape orientation test04_01 --&gt; parallel condition test04_02 --&gt; orthogonal condition
DOI: 10.6084/m9.figshare.5208814.v1
title: The data set of antibacterial effect of moth-eye films

description: This is the underlying data set to describe the results on "Antibacterial Effects of the Artificial Surface of Nanoimprinted Moth-eye Film".
DOI: 10.6084/m9.figshare.5208775
title: Supplementary Material for: Neurodevelopment at 3 Years in Neonates Born by Vaginal Delivery versus Cesarean Section at &lt;26 Weeks of Gestation: Retrospective Analysis of a Nationwide Registry in Japan

description: <b><i>Background:</i></b> A high proportion of extremely preterm (EPT) infants are born by cesarean section (CS). However, whether the mode of delivery is related to long-term neurodevelopment in these infants is unclear. <b><i>Objectives:</i></b> This study aimed to determine whether the mode of delivery is associated with mortality and long-term outcomes in EPT infants. <b><i>Methods:</i></b> We analyzed data of the Neonatal Research Network in Japan (NRNJ), a population-based, nationwide registry. Inclusion criteria were neonates who were born between 2003 and 2012 with a gestational age &lt;26 weeks. The primary composite outcome was death before 3 years or neurodevelopmental impairment (NDI) at 3 years. Confounder-adjusted odds ratios (OR) were estimated by logistic generalized linear mixed models, which accounted for clustering within hospitals. <b><i>Results:</i></b> 2,138 eligible infants (703 by vaginal delivery [VD] and 1,435 by CS) were identified for primary analysis. The composite outcome of death or NDI was not different between both groups (66.7% by VD and 62.7% by CS, <i>p</i> = 0.075). After multivariate analysis adjusting for confounders, we found that CS did not improve the composite outcome of death or NDI (OR = 0.839, 95% confidence interval = 0.816-1.328, <i>p</i> = 0.742). For secondary outcomes, mortality (OR = 0.824, <i>p</i> = 0.150), NDI (OR = 1.237, <i>p</i> = 0.165), and other neurodevelopmental outcomes were not different between the groups. <b><i>Conclusions:</i></b> Among neonates born at &lt;26 weeks, CS does not improve mortality and neurodevelopmental outcomes at 3 years in the NRNJ cohort. However, because of several potential biases such as high rates of infants lost to follow-up, further evidence may be required.
DOI: 10.6084/m9.figshare.5208808.v1
title: experiment data (Apparent shift in motion trajectory by local pattern orientation).zip

description: _prm.xls: monitor&experiment configuration<br>exp01: frame duration（50, 100, or 200ms）<br>exp02: frame number (5, 9, or 24)<br>exp03: adaptation ※exp03ad.prm is results for non-adaptation condition<br>exp04: shape orientation test04_01 --&gt; parallel condition test04_02 --&gt; orthogonal condition
DOI: 10.6084/m9.figshare.5208808.v2
title: experiment data (Apparent shift in motion trajectory by local pattern orientation).zip

description: _prm.xls: monitor&experiment configuration<br>exp01: frame duration（50, 100, or 200ms）<br>exp02: frame number (5, 9, or 24)<br>exp03: adaptation ※exp03ad.prm is results for non-adaptation condition<br>exp04: shape orientation test04_01 --&gt; parallel condition test04_02 --&gt; orthogonal condition
DOI: 10.6084/m9.figshare.5208739
title: Impact of geometry optimization methods on QSAR modelling: A case study for predicting human serum albumin binding affinity

description: Quantitative structure–activity relationship (QSAR) modelling is a major tool employed in the prediction of various endpoints. However, current QSAR literature is missing a full understanding of the impact of quantum chemical calculation methods on the estimation of molecular descriptors and model performance. Here, we provide a comprehensive analysis of the quantitative effects of different geometry optimization methods (semi-empirical, <i>ab initio</i> Hartee-Fock and density functional theory) on the molecular descriptors. Using experimental binding affinity to human serum albumin (HSA) data, we comparatively investigated the influence of employing descriptors derived from three calculation methods on the QSAR models. We propose a 4-descriptor QSAR model in line with the OECD validation principles for the prediction of drug binding affinity to HSA (log <i>K</i><sub>HSA</sub>) as a potential tool for drug development. We also confirm the prediction capability of the proposed model on a heterogeneous external set of chemicals. Furthermore, we recommend an activity-independent rational approach for the selection of geometry optimization method for an improved QSAR model development.
DOI: 10.6084/m9.figshare.5208748
title: Tensor algebra-based geometric methodology to codify central chirality on organic molecules

description: A novel mathematical procedure to codify chiral features of organic molecules in the QuBiLS-MIDAS framework is introduced. This procedure constitutes a generalization to that commonly used to date, where the values 1 and −1 (correction factor) are employed to weight the molecular vectors when each atom is labelled as R (<i>rectus</i>) or S (<i>sinister</i>) according to the Cahn–Ingold–Prelog rules. Therefore, values in the range with steps equal to 0.25 may be accounted for. The atoms labelled R or S can have negative and positive values assigned (e.g. −3 for an R atom and 1 for an S atom, or vice versa), opposed values (e.g. −3 for an R atom and 3 for an S atom, or vice versa), positive values (e.g. 3 for an R atom and 1 for an S atom) or negative values (e.g. −3 for an R atom and −1 for an S atom). These proposed Chiral QuBiLS-MIDAS 3D-MDs are real numbers, non-symmetric and reduced to ‘classical’ (non-chiral) QuBiLS-MIDAS 3D-MDs when symmetry is not codified (correction factor equal to zero). In this report, only the factors with opposed values were considered with the purpose of demonstrating the feasibility of this proposal. From QSAR modelling carried out on four chemical datasets (Cramer’s steroids, fenoterol stereoisomer derivatives, <i>N</i>-alkylated 3-(3-hydroxyphenyl)-piperidines, and perindoprilat stereoisomers), it was demonstrated that the use of several correction factors contributes to the building of models with greater robustness and predictive ability than those reported in the literature, as well as with respect to the models exclusively developed with QuBiLS-MIDAS 3D-MDs based on the factor 1 | −1. In conclusion, it can be stated that this novel strategy constitutes a suitable alternative to computed chirality-based descriptors, contributing to the development of good models to predict properties depending on symmetry.
DOI: 10.6084/m9.figshare.5208739.v1
title: Impact of geometry optimization methods on QSAR modelling: A case study for predicting human serum albumin binding affinity

description: Quantitative structure–activity relationship (QSAR) modelling is a major tool employed in the prediction of various endpoints. However, current QSAR literature is missing a full understanding of the impact of quantum chemical calculation methods on the estimation of molecular descriptors and model performance. Here, we provide a comprehensive analysis of the quantitative effects of different geometry optimization methods (semi-empirical, <i>ab initio</i> Hartee-Fock and density functional theory) on the molecular descriptors. Using experimental binding affinity to human serum albumin (HSA) data, we comparatively investigated the influence of employing descriptors derived from three calculation methods on the QSAR models. We propose a 4-descriptor QSAR model in line with the OECD validation principles for the prediction of drug binding affinity to HSA (log <i>K</i><sub>HSA</sub>) as a potential tool for drug development. We also confirm the prediction capability of the proposed model on a heterogeneous external set of chemicals. Furthermore, we recommend an activity-independent rational approach for the selection of geometry optimization method for an improved QSAR model development.
DOI: 10.6084/m9.figshare.5208748.v1
title: Tensor algebra-based geometric methodology to codify central chirality on organic molecules

description: A novel mathematical procedure to codify chiral features of organic molecules in the QuBiLS-MIDAS framework is introduced. This procedure constitutes a generalization to that commonly used to date, where the values 1 and −1 (correction factor) are employed to weight the molecular vectors when each atom is labelled as R (<i>rectus</i>) or S (<i>sinister</i>) according to the Cahn–Ingold–Prelog rules. Therefore, values in the range with steps equal to 0.25 may be accounted for. The atoms labelled R or S can have negative and positive values assigned (e.g. −3 for an R atom and 1 for an S atom, or vice versa), opposed values (e.g. −3 for an R atom and 3 for an S atom, or vice versa), positive values (e.g. 3 for an R atom and 1 for an S atom) or negative values (e.g. −3 for an R atom and −1 for an S atom). These proposed Chiral QuBiLS-MIDAS 3D-MDs are real numbers, non-symmetric and reduced to ‘classical’ (non-chiral) QuBiLS-MIDAS 3D-MDs when symmetry is not codified (correction factor equal to zero). In this report, only the factors with opposed values were considered with the purpose of demonstrating the feasibility of this proposal. From QSAR modelling carried out on four chemical datasets (Cramer’s steroids, fenoterol stereoisomer derivatives, <i>N</i>-alkylated 3-(3-hydroxyphenyl)-piperidines, and perindoprilat stereoisomers), it was demonstrated that the use of several correction factors contributes to the building of models with greater robustness and predictive ability than those reported in the literature, as well as with respect to the models exclusively developed with QuBiLS-MIDAS 3D-MDs based on the factor 1 | −1. In conclusion, it can be stated that this novel strategy constitutes a suitable alternative to computed chirality-based descriptors, contributing to the development of good models to predict properties depending on symmetry.
DOI: 10.6084/m9.figshare.5208808.v4
title: experiment data (Apparent shift in long-range motion trajectory by local pattern orientation).zip

description: _prm.xls: monitor&experiment configuration<br>exp01: frame duration（50, 100, or 200ms）<br>exp02: frame number (5, 9, or 24)<br>exp03: adaptation ※exp03ad.prm is results for non-adaptation condition<br>exp04: shape orientation test04_01 --&gt; parallel condition test04_02 --&gt; orthogonal condition
DOI: 10.6084/m9.figshare.5208808.v5
title: experiment data (Apparent shift in long-range motion trajectory by local pattern orientation).zip

description: _prm.xls: monitor&experiment configuration<br>exp01: frame duration（50, 100, or 200ms）<br>exp02: frame number (5, 9, or 24)<br>exp03: adaptation ※exp03ad.prm is results for non-adaptation condition<br>exp04: shape orientation test04_01 --&gt; parallel condition test04_02 --&gt; orthogonal condition
DOI: 10.6084/m9.figshare.5208685.v1
title: PlosONE.data.zip

description: EMS station location; road network topology; population data; road link speed
DOI: 10.6084/m9.figshare.5208808.v7
title: experiment data (Apparent shift in long-range motion trajectory by local pattern orientation)

description: _prm.xls: monitor&experiment configuration<br>exp01: frame duration（50, 100, or 200ms）<br>exp02: frame number (5, 9, or 24)<br>exp03: adaptation ※exp03ad.prm is results for non-adaptation condition<br>exp04: shape orientation test04_01 --&gt; parallel condition test04_02 --&gt; orthogonal condition
DOI: 10.6084/m9.figshare.5208808.v6
title: experiment data (Apparent shift in long-range motion trajectory by local pattern orientation).zip

description: _prm.xls: monitor&experiment configuration<br>exp01: frame duration（50, 100, or 200ms）<br>exp02: frame number (5, 9, or 24)<br>exp03: adaptation ※exp03ad.prm is results for non-adaptation condition<br>exp04: shape orientation test04_01 --&gt; parallel condition test04_02 --&gt; orthogonal condition
DOI: 10.6084/m9.figshare.5208595
title: EnergyFluxes_JGR_2017.mat

description: This dataset is presented in the paper submitted to Journal of Geophysical Research-Atmospheres: Variability of surface heat fluxes and its driving forces at different time scales over a large shallow lake in China. This dataset includes all the measured data used in the paper. For the detailed data description, please refer to the paper.
DOI: 10.6084/m9.figshare.5208403
title: H3cantuariaalignment.fas

description: An alignment of Histone 3 sequences obtained by Sanger sequencing Cantuaria spp. Some sequences have low quality data at positions 241, 246, 247 and 248.<br>
DOI: 10.6084/m9.figshare.5208403.v1
title: H3cantuariaalignment.fas

description: An alignment of Histone 3 sequences obtained by Sanger sequencing Cantuaria spp. Some sequences have low quality data at positions 241, 246, 247 and 248.<br>
DOI: 10.6084/m9.figshare.5208109
title: Dataset for: Lateral prefrontal/orbitofrontal cortex has different roles in norm compliance in gain and loss domains: a transcranial current stimulation (tDCS) study

description: Sanction is used by almost all known human societies to enforce fairness norm in resource distribution. Previous studies have consistently shown that the lateral prefrontal cortex (lPFC) and the adjacent orbitofrontal cortex (lOFC) play a causal role in mediating the effect of sanction threat on norm compliance. However, most of these studies were conducted in the gain domain in which resources are distributed among members. Little is known about the mechanisms underlying norm compliance in the loss domain in which individual sacrifices are needed. Here we employed a modified version of Dictator Game (DG) and high-definition transcranial direct current stimulation (HD-tDCS) to investigate to what extent lPFC/lOFC is involved in norm compliance (with and without sanction-threat) in both gain and loss sharing contexts. Participants allocated a fixed total amount of monetary gain or loss between themselves and an anonymous partner in multiple rounds of the game. A computer program randomly decided whether a given round involved sanction threat for the participants. Results showed that disruption of the right lPFC/lOFC by tDCS increased the voluntary norm compliance in the gain domain, but not in the loss domain; tDCS on lPFC/lOFC had no effect on compliance under sanction-threat in either the gain or loss domain. Our findings reveal a complex context-dependent nature of norm compliance and differential roles of lPFC/lOFC in norm compliance in the gain and loss domains.
DOI: 10.6084/m9.figshare.5208109.v1
title: Dataset for: Lateral prefrontal/orbitofrontal cortex has different roles in norm compliance in gain and loss domains: a transcranial current stimulation (tDCS) study

description: Sanction is used by almost all known human societies to enforce fairness norm in resource distribution. Previous studies have consistently shown that the lateral prefrontal cortex (lPFC) and the adjacent orbitofrontal cortex (lOFC) play a causal role in mediating the effect of sanction threat on norm compliance. However, most of these studies were conducted in the gain domain in which resources are distributed among members. Little is known about the mechanisms underlying norm compliance in the loss domain in which individual sacrifices are needed. Here we employed a modified version of Dictator Game (DG) and high-definition transcranial direct current stimulation (HD-tDCS) to investigate to what extent lPFC/lOFC is involved in norm compliance (with and without sanction-threat) in both gain and loss sharing contexts. Participants allocated a fixed total amount of monetary gain or loss between themselves and an anonymous partner in multiple rounds of the game. A computer program randomly decided whether a given round involved sanction threat for the participants. Results showed that disruption of the right lPFC/lOFC by tDCS increased the voluntary norm compliance in the gain domain, but not in the loss domain; tDCS on lPFC/lOFC had no effect on compliance under sanction-threat in either the gain or loss domain. Our findings reveal a complex context-dependent nature of norm compliance and differential roles of lPFC/lOFC in norm compliance in the gain and loss domains.
DOI: 10.4225/03/5975a0f9da160
title: ASHA Training on Hypertension (evaluation materials)

description: These are resources to evaluate training of health care workers about hypertension. Details of the training program, and its evaluation, are described in: BMC Health Serv Res. 2018 May 2;18(1):320. doi: 10.1186/s12913-018-3140-8The resources include questionnaires, focus group discussion questions, and forms for record keeping and evaluation.<br>
DOI: 10.4225/03/5967f9a94970d
title: ASHA Manual and Meeting Resources

description: These are resources that can be used by trained health workers to teach people in their communities about hypertension, and empower them to self-manage their hypertension. Details of the training program, and its evaluation, are described in: BMC Health Serv Res. 2018 May 2;18(1):320. doi: 10.1186/s12913-018-3140-8The resources include a training manual, flipcharts to aid in teaching, record keeping and handouts for patients to use at home.<br>
DOI: 10.17608/k6.auckland.5207884
title: Data Zones for New Zealand

description: A fileset containing the lookup tables/ concordance files to aggregate 2013 Census Meshblocks to Data Zones<br><br>Further details about the Data Zones can be found on the University of Auckland website - http://www.fmhs.auckland.ac.nz/imd/data-zones
DOI: 10.17608/k6.auckland.5207887
title: The Index of Multiple Deprivation (IMD)

description: A fileset containing excel spreadsheets allowing researchers to map area-deprivation using the IMD.<br><br>Further details about the Index of Multiple Deprivation can be found on the University of Auckland website - http://www.fmhs.auckland.ac.nz/imd<br><br>
DOI: 10.6084/m9.figshare.5204023
title: Paraphelidium phylogenomics datasets

description: 3 protein datasets were used to infer the position of <i>Paraphelidium tribonemae</i>. All were previously used for phylogenomic analyses of Opisthokonta and, more specifically, Microsporidia. They are:- SCPD: 93 single-copy protein domains (SCPD) from Torruella et al. 2015 Curr Biol.- BMC: 53 proteins updated from Capella-Gutiérrez et al. 2012 BMC Biol.- GBE: 259 proteins updated from Mikhailov et al. 2017 Genome Biol Evol.<br>Here you can find the concatenated supermatrices 49sp and 36sp; with or without long-branch microsporidians respectively.
DOI: 10.6084/m9.figshare.5203984
title: lidar_output_100_x_100

description: Lidar output for a 100x100 m tile
DOI: 10.6084/m9.figshare.5203984.v1
title: lidar_output_100_x_100

description: Lidar output for a 100x100 m tile
DOI: 10.6084/m9.figshare.5204023.v2
title: Paraphelidium phylogenomics dataset

description: Concatenated matrix of 93 Single-Copy Protein Domains, with 48 species including opisthokonts and close outgroups, used to infer phylogenetic relationships of aphelids and opisthosporidians.
DOI: 10.6084/m9.figshare.5204023.v1
title: Phylogenomics dataset

description: Concatenated matrix of 93 Single-Copy Protein Domains, with 48 species including opisthokonts and close outgroups, used to infer phylogenetic relationships of aphelids and opisthosporidians.
DOI: 10.6084/m9.figshare.5203951
title: Plasma protein, haematologic and blood chemistry changes in African grey parrots (<i>Psittacus erithacus</i>) experimentally infected with bornavirus

description: Bornaviruses are considered to be the causative agent of proventricular dilatation disease (PDD) in psittacine birds. In order to detect haematological and blood chemistry changes during the development of PDD and a possible correlation with clinical signs and the virological status, six African grey parrots (<i>Psittacus erithacus</i>) were experimentally infected with parrot bornavirus 4 (PaBV-4) by subcutaneous route. All six parrots developed clinical signs of varying extent and successful infection was confirmed in all the birds by seroconversion or detection of RNA of the PaBV-4 infection strain. Based on population-based and intra-individual reference ranges established during 12 months prior to experimental infection, only minor haematological changes were detected in individual birds after infection. Changes in blood chemistry were restricted to aspartate aminotransferase, creatine kinase, total protein, glucose and uric acid. Plasma protein electrophoresis revealed marked changes starting 10 weeks post infection characterized by an increase in the <i>γ</i>-globulin fraction and a gradual decrease to normal values during weeks 22–34. Indications of an acute-phase reaction at the initial stages of infection were not detected. While three birds suffered from clinical signs of PDD, which included weight loss and neurological disorders and died before development of haematological and plasma protein changes, recovery of clinical disease was paralleled in the remaining birds by an increase in <i>γ</i>-globulins and bornavirus-specific antibody titres.