cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.4780441.v1
title: Use of biopartitioning micellar chromatography and RP-HPLC for the determination of blood–brain barrier penetration of α-adrenergic/imidazoline receptor ligands, and QSPR analysis

description: For this study, 31 compounds, including 16 imidazoline/α-adrenergic receptor (IRs/α-ARs) ligands and 15 central nervous system (CNS) drugs, were characterized in terms of the retention factors (<i>k</i>) obtained using biopartitioning micellar and classical reversed phase chromatography (log <i>k</i><sub>BMC</sub> and log <i>k</i><sub><i>w</i>RP</sub>, respectively). Based on the retention factor (log <i>k</i><sub><i>w</i>RP</sub>) and slope of the linear curve (<i>S</i>) the isocratic parameter (<i>φ</i><sub><i>0</i></sub>) was calculated. Obtained retention factors were correlated with experimental log <i>BB</i> values for the group of examined compounds. High correlations were obtained between logarithm of biopartitioning micellar chromatography (BMC) retention factor and effective permeability (<i>r</i>(log <i>k</i><sub>BMC</sub>/log <i>BB</i>): 0.77), while for RP-HPLC system the correlations were lower (<i>r</i>(log <i>k</i><sub><i>w</i>RP</sub>/log <i>BB</i>): 0.58; <i>r</i>(<i>S</i>/log <i>BB</i>): –0.50; <i>r</i>(<i>φ</i><sub><i>0</i></sub>/<i>P</i><sub><i>e</i></sub>): 0.61). Based on the log <i>k</i><sub>BMC</sub> retention data and calculated molecular parameters of the examined compounds, quantitative structure–permeability relationship (QSPR) models were developed using partial least squares, stepwise multiple linear regression, support vector machine and artificial neural network methodologies. A high degree of structural diversity of the analysed IRs/α-ARs ligands and CNS drugs provides wide applicability domain of the QSPR models for estimation of blood–brain barrier penetration of the related compounds.
DOI: 10.6084/m9.figshare.4780321
title: Trial averaged LFP/CSD for Figure 2

description: Computing psd from the csd for figure 2<br>
DOI: 10.6084/m9.figshare.4780312
title: data and code

description: (raw data for use with accompanying r script)
DOI: 10.6084/m9.figshare.4780312.v2
title: data and code

description: (raw data for use with accompanying r script)
DOI: 10.6084/m9.figshare.4780312.v1
title: datanew.csv

description: (for use with accompanying r script)
DOI: 10.6084/m9.figshare.4779763
title: MRO clones sequence files

description: sequencing file
DOI: 10.6084/m9.figshare.4779763.v1
title: MRO clones sequence files

description: sequencing file
DOI: 10.6084/m9.figshare.4779640
title: [Inequality, Competitiveness, and Motivaton - Studies 1-3] Material, raw data, working data,and working syntax (anonymized)

description: Questionnaires, raw data, and syntax files for the three studies of the following paper: Sommet, N., & Elliot. A. J., Jamieson, J. P., Butera, F. (2018). Income inequality, perceived competitiveness, and approach-avoidance motivation. To appear in Journal of Personality.
DOI: 10.6084/m9.figshare.4779529
title: data_extraction_rest_alignment.xlsx

description: Full list of primary studies and data extraction of the mapping study What Do We Know about Alignment of Requirements Engineering and Software Testing?<br>
DOI: 10.6084/m9.figshare.4779466
title: SNP alignment of S. aureus isolates from cystic fibrosis patients

description: An alignment of SNPs from 367 Staphylococcus aureus genome sequences in fasta format as determined by kSNP3 (https://sourceforge.net/projects/ksnp/)<br>
DOI: 10.6084/m9.figshare.4776886
title: Photometry and Stellar Masses for GRB Host Galaxies with Emission-line Spectra

description: We present broad-band photometry and SED fits to a sample of GRB host galaxies for which spectra were published by us previously (Kruehler et al., 2015, A&A, 581, 125).<br><br>We collected relevant photometric data from the literature (see references), as well as our own photometry using a variety of telescopes and instruments. These auxiliary data were reduced in a consistent manner using methods described elsewhere (Kruehler et al., 2011, A&A, 534, 108). The used fits files are provided with this data set, where each fits file is named according to the instrument, filter and GRB.<br><br>We then fit the data in a similar manner as described in detail in Schulze et al., 2017, arXiv:161205978 using a modified version of LePhare (Arnouts et al., 1999, MNRAS, 310, 540; Ilbert et al., 2006, A&A, 457, 841) and stellar population synthesis models of Bruzual & Charlot (2003, MNRAS, 344, 1000).<br><br>The resulting files provided with this data release are given in GRBhosts_SEDs.tar.gz, which contains for each GRB of interest:<br>- One pdf containing the plot with the photometry and the best fit model<br>- One ascii file with (ending .spec). This ascii file contains the photometric data (AB system, corrected for Galactic foreground reddening after Schlafly & Finkbeiner 2011, ApJ, 737, 103), in a block of 27 lines with 7 columns. The columns correspond to the magnitude, magnitude error, mean wavelength (AA), width of the filter, the magnitude of the best-fit galaxy template. The last two columns can be ignored. After that, two columns follow with the best fit galaxy template.<br><br><br>The resulting physical parameters of the burst are given in the file GRBhosts_SEDparam.txt with the individual columns as described in the header of the file. The file header also contains more info on the filters used, as well as the fit parameters (cosmology, dust reddening, priors). <br><br><br><br><br><br>
DOI: 10.6084/m9.figshare.4776643
title: data links

description: These are DOI and figshare links for data and commands run for Needham and Fuhrman in Nature Microbiology 2016. The 16S data analysis with the Needham and Fuhrman was extended in Needham et al. 2017, ISME J. In press.
DOI: 10.6084/m9.figshare.4776643.v1
title: data links

description: These are DOI and figshare links for data and commands run for Needham and Fuhrman in Nature Microbiology 2016. The 16S data analysis with the Needham and Fuhrman was extended in Needham et al. 2017, ISME J. In press.
DOI: 10.6084/m9.figshare.4776634
title: 2016 Arthropod Data

description: Data collected from the 2016 field season on the impact urbanization has on arthropod communities in Toledo, OH.
DOI: 10.6084/m9.figshare.4776616
title: Assessment of Differential Rater Functioning in Latent Classes with New Mixture Facets Models

description: Multifaceted data are very common in the human sciences. For example, test takers' responses to essay items are marked by raters. If multifaceted data are analyzed with standard facets models, it is assumed there is no interaction between facets. In reality, an interaction between facets can occur, referred to as differential facet functioning. A special case of differential facet functioning is the interaction between ratees and raters, referred to as differential rater functioning (DRF). In existing DRF studies, the group membership of ratees is known, such as gender or ethnicity. However, DRF may occur when the group membership is unknown (latent) and thus has to be estimated from data. To solve this problem, in this study, we developed a new mixture facets model to assess DRF when the group membership is latent and we provided two empirical examples to demonstrate its applications. A series of simulations were also conducted to evaluate the performance of the new model in the DRF assessment in the Bayesian framework. Results supported the use of the mixture facets model because all parameters were recovered fairly well, and the more data there were, the better the parameter recovery.
DOI: 10.6084/m9.figshare.4776634.v1
title: 2016 Arthropod Data

description: Data collected from the 2016 field season on the impact urbanization has on arthropod communities in Toledo, OH.
DOI: 10.6084/m9.figshare.4776886.v1
title: Photometry and Stellar Masses for GRB Host Galaxies with Eemission-line Spectra

description: We present broad-band photometry and SED fits to a sample of GRB host galaxies for which spectra were published by us previously (Kruehler et al., 2015, A&A, 581, 125).<br><br>We collected relevant photometric data from the literature (see references), as well as our own photometry using a variety of telescopes and instruments. These auxiliary data were reduced in a consistent manner using methods described elsewhere (Kruehler et al., 2011, A&A, 534, 108). The used fits files are provided with this data set, where each fits file is named according to the instrument, filter and GRB.<br><br>We then fit the data in a similar manner as described in detail in Schulze et al., 2017, arXiv:161205978 using a modified version of LePhare (Arnouts et al., 1999, MNRAS, 310, 540; Ilbert et al., 2006, A&A, 457, 841) and stellar population synthesis models of Bruzual & Charlot (2003, MNRAS, 344, 1000).<br><br>The resulting files provided with this data release are given in GRBhosts_SEDs.tar.gz, which contains for each GRB of interest:<br>- One pdf containing the plot with the photometry and the best fit model<br>- One ascii file with (ending .spec). This ascii file contains the photometric data (AB system, corrected for Galactic foreground reddening after Schlafly & Finkbeiner 2011, ApJ, 737, 103), in a block of 27 lines with 7 columns. The columns correspond to the magnitude, magnitude error, mean wavelength (AA), width of the filter, the magnitude of the best-fit galaxy template. The last two columns can be ignored. After that, two columns follow with the best fit galaxy template.<br><br><br>The resulting physical parameters of the burst are given in the file GRBhosts_SEDparam.txt with the individual columns as described in the header of the file. The file header also contains more info on the filters used, as well as the fit parameters (cosmology, dust reddening, priors). <br><br><br><br><br><br>
DOI: 10.6084/m9.figshare.4776610
title: Prospective 3D analysis of facial soft tissue augmentation with calcium hydroxylapatite

description: <b>Background</b>: Facial rejuvenation is an expanding field with an increasing number of treatment modalities. Several non-autologous filler materials are available for soft tissue augmentation. Calcium hydroxylapatite (CaOH) is aimed at increasing collagen neosynthesis and thereby producing long-term augmentation effects. Despite a multitude of observational reports, the field is suffering from lack of quantitative morphometric evaluation methods. <b>Objective</b>: The objective of this proof-of-principle study was to investigate whether the effects of facial tissue augmentation with CaOH (RADIESSE™) can be quantified and followed up using 3D surface scanning. <b>Methods</b>: 3 female subjects received augmentation of the mid and lower face with CaOH. The faces were recorded prior, directly after, and two weeks and six months after the injection using standardized photos and 3D scanning. Computational analysis allowed quantifying the change in volume and displacement of the facial surface. Additionally, a patient satisfaction questionnaire was administered. <b>Results</b>: In all subjects, increase in facial volume could be quantified and was present after two weeks and six months. <b>Conclusions</b>: 3D surface scanning is an adequate tool for objective quantification of changes after facial augmentation with filler materials. Persistent volume augmentation after CaOH injections could be quantified after two weeks and six months. Evidence level: IV.
DOI: 10.6084/m9.figshare.4776616.v1
title: Assessment of Differential Rater Functioning in Latent Classes with New Mixture Facets Models

description: Multifaceted data are very common in the human sciences. For example, test takers' responses to essay items are marked by raters. If multifaceted data are analyzed with standard facets models, it is assumed there is no interaction between facets. In reality, an interaction between facets can occur, referred to as differential facet functioning. A special case of differential facet functioning is the interaction between ratees and raters, referred to as differential rater functioning (DRF). In existing DRF studies, the group membership of ratees is known, such as gender or ethnicity. However, DRF may occur when the group membership is unknown (latent) and thus has to be estimated from data. To solve this problem, in this study, we developed a new mixture facets model to assess DRF when the group membership is latent and we provided two empirical examples to demonstrate its applications. A series of simulations were also conducted to evaluate the performance of the new model in the DRF assessment in the Bayesian framework. Results supported the use of the mixture facets model because all parameters were recovered fairly well, and the more data there were, the better the parameter recovery.
DOI: 10.6084/m9.figshare.4776637.v1
title: Raw data

description: Raw simulation file
DOI: 10.6084/m9.figshare.4776886.v2
title: Photometry and Stellar Masses for GRB Host Galaxies with Emission-line Spectra

description: We present broad-band photometry and SED fits to a sample of GRB host galaxies for which spectra were published by us previously (Kruehler et al., 2015, A&A, 581, 125).<br><br>We collected relevant photometric data from the literature (see references), as well as our own photometry using a variety of telescopes and instruments. These auxiliary data were reduced in a consistent manner using methods described elsewhere (Kruehler et al., 2011, A&A, 534, 108). The used fits files are provided with this data set, where each fits file is named according to the instrument, filter and GRB.<br><br>We then fit the data in a similar manner as described in detail in Schulze et al., 2017, arXiv:161205978 using a modified version of LePhare (Arnouts et al., 1999, MNRAS, 310, 540; Ilbert et al., 2006, A&A, 457, 841) and stellar population synthesis models of Bruzual & Charlot (2003, MNRAS, 344, 1000).<br><br>The resulting files provided with this data release are given in GRBhosts_SEDs.tar.gz, which contains for each GRB of interest:<br>- One pdf containing the plot with the photometry and the best fit model<br>- One ascii file with (ending .spec). This ascii file contains the photometric data (AB system, corrected for Galactic foreground reddening after Schlafly & Finkbeiner 2011, ApJ, 737, 103), in a block of 27 lines with 7 columns. The columns correspond to the magnitude, magnitude error, mean wavelength (AA), width of the filter, the magnitude of the best-fit galaxy template. The last two columns can be ignored. After that, two columns follow with the best fit galaxy template.<br><br><br>The resulting physical parameters of the burst are given in the file GRBhosts_SEDparam.txt with the individual columns as described in the header of the file. The file header also contains more info on the filters used, as well as the fit parameters (cosmology, dust reddening, priors). <br><br><br><br><br><br>
DOI: 10.6084/m9.figshare.4776610.v2
title: Prospective 3D analysis of facial soft tissue augmentation with calcium hydroxylapatite

description: <b>Background</b>: Facial rejuvenation is an expanding field with an increasing number of treatment modalities. Several non-autologous filler materials are available for soft tissue augmentation. Calcium hydroxylapatite (CaOH) is aimed at increasing collagen neosynthesis and thereby producing long-term augmentation effects. Despite a multitude of observational reports, the field is suffering from lack of quantitative morphometric evaluation methods. <b>Objective</b>: The objective of this proof-of-principle study was to investigate whether the effects of facial tissue augmentation with CaOH (RADIESSE™) can be quantified and followed up using 3D surface scanning. <b>Methods</b>: 3 female subjects received augmentation of the mid and lower face with CaOH. The faces were recorded prior, directly after, and two weeks and six months after the injection using standardized photos and 3D scanning. Computational analysis allowed quantifying the change in volume and displacement of the facial surface. Additionally, a patient satisfaction questionnaire was administered. <b>Results</b>: In all subjects, increase in facial volume could be quantified and was present after two weeks and six months. <b>Conclusions</b>: 3D surface scanning is an adequate tool for objective quantification of changes after facial augmentation with filler materials. Persistent volume augmentation after CaOH injections could be quantified after two weeks and six months. Evidence level: IV.
DOI: 10.6084/m9.figshare.4776610.v1
title: Prospective 3D Analysis of Facial Soft Tissue Augmentation with Calcium Hydroxylapatite

description: <b>Background</b>. Facial rejuvenation is an expanding field with an increasing number of treatment modalities. Several non-autologous filler materials are available for soft tissue augmentation. Calcium hydroxylapatite (CaOH) is aimed at increasing collagen neosynthesis and thereby producing long term augmentation effects. Despite a multitude of observational reports, the field is suffering from lack of quantitative morphometic evaluation methods. <b>Objective</b>. The objective of this proof-of-principle study was to investigate whether the effects of facial tissue augmentation with CaOH (Radiesse™) can be quantified and followed up using 3D surface scanning. <b>Methods</b>. 3 female subjects received augmentation of the mid- and lower face with CaOH. The face was documented prior, directly after and two weeks and six months after the injection using standardized photographs and 3D scanning. Computational analysis allowed quantifying the change in volume and displacement of the facial surface. Additionally, a patient satisfaction questionnaire was administered. <b>Results</b>. In all subjects, increase in facial volume could be quantified and was present after two weeks and six months. <b>Conclusions</b>. 3D surface scanning is an adequate tool for objective quantification of changes after facial augmentation with filler materials. Persistent volume augmentation after CaOH injections could be quantified after two weeks and six months. Evidence level: IV
DOI: 10.6084/m9.figshare.12904562
title: R0193_20171002a_videos

description: Rat 0193, skilled reaching data collected in Leventhal laboratory by Alexandra Bova
DOI: 10.6084/m9.figshare.4776340
title: Use of patient-controlled psychiatric hospital admissions: patients’ perspective

description: <b>Background:</b> By patient-controlled admission (PCA), psychiatric patients with a PCA contract can initiate a brief admission without a health professional gatekeeper. However, research regarding use of PCA is scarce. <b>Aims:</b> In this Danish multi-centre study, motives for and satisfaction with PCA were explored. <b>Methods:</b> During a 1-year period, patients from 11 Danish mental health units evaluated PCA using a questionnaire developed for the purpose. <b>Results:</b> In total, 190 patients evaluated 462 admissions. The majority had concluded a PCA contract to receive early help. PCA was mostly initiated because of mental health conditions, but also because of social and everyday problems. The purpose was mainly to be at peace and prevent symptom increase. Patients from units with a quarantine period felt more ready for discharge than the others. Patients were in general satisfied with PCA (61.7%), but patients who hoped for improved medication or wished to obtain more care were less satisfied. <b>Conclusions:</b> Patients can use PCA as a means to receive timely help. Motives for patients seeking help are not limited to mental conditions. Expectations that cannot be met within the organizational structure of the PCA programme are associated with less satisfaction. However, regional differences in structures were associated with satisfaction. Patients who had access to shorter PCAs were more satisfied, and a quarantine period may even help patients become more ready for discharge. A brief admission period does not cause dissatisfaction at discharge and can be used in the clinical setting.
DOI: 10.6084/m9.figshare.4776340.v1
title: Use of patient-controlled psychiatric hospital admissions: patients’ perspective

description: <b>Background:</b> By patient-controlled admission (PCA), psychiatric patients with a PCA contract can initiate a brief admission without a health professional gatekeeper. However, research regarding use of PCA is scarce. <b>Aims:</b> In this Danish multi-centre study, motives for and satisfaction with PCA were explored. <b>Methods:</b> During a 1-year period, patients from 11 Danish mental health units evaluated PCA using a questionnaire developed for the purpose. <b>Results:</b> In total, 190 patients evaluated 462 admissions. The majority had concluded a PCA contract to receive early help. PCA was mostly initiated because of mental health conditions, but also because of social and everyday problems. The purpose was mainly to be at peace and prevent symptom increase. Patients from units with a quarantine period felt more ready for discharge than the others. Patients were in general satisfied with PCA (61.7%), but patients who hoped for improved medication or wished to obtain more care were less satisfied. <b>Conclusions:</b> Patients can use PCA as a means to receive timely help. Motives for patients seeking help are not limited to mental conditions. Expectations that cannot be met within the organizational structure of the PCA programme are associated with less satisfaction. However, regional differences in structures were associated with satisfaction. Patients who had access to shorter PCAs were more satisfied, and a quarantine period may even help patients become more ready for discharge. A brief admission period does not cause dissatisfaction at discharge and can be used in the clinical setting.
DOI: 10.6084/m9.figshare.4775713
title: Prevalence and predictors of complementary and alternative medicine/non-pharmacological interventions use for menopausal symptoms within the UK Collaborative Trial of Ovarian Cancer Screening

description: <b>Objectives:</b> The negative publicity about menopausal hormone therapy (MHT) has led to increased use of complementary and alternative medicines (CAM) and non-pharmacological interventions (NPI) for menopausal symptom relief. We report on the prevalence and predictors of CAM/NPI among UK postmenopausal women. <b>Method:</b> Postmenopausal women aged 50–74 years were invited to participate in the UK Collaborative Trial of Ovarian Cancer Screening (UKCTOCS). A total of 202 638 women were recruited and completed a baseline questionnaire. Of these, 136 020 were sent a postal follow-up-questionnaire between September 2006 and May 2009 which included ever-use of CAM/NPI for menopausal symptom relief. Both questionnaires included MHT use. <b>Results:</b> A total of 88 430 (65.0%) women returned a completed follow-up-questionnaire; 22 206 (25.1%) reported ever-use of one or more CAM/NPI. Highest use was reported for herbal therapies (43.8%; 9725/22 206), vitamins (42.6%; 9458/22 206), lifestyle approaches (32.1%; 7137/22 206) and phytoestrogens (21.6%; 4802/22 206). Older women reported less ever-use of herbal therapies, vitamins and phytoestrogens. Lifestyle approaches, aromatherapy/reflexology/acupuncture and homeopathy were similar across age groups. Higher education, Black ethnicity, MHT or previous oral contraceptive pill use were associated with higher CAM/NPI use. Women assessed as being less hopeful about their future were less likely to use CAM/NPI. <b>Conclusion:</b> One in four postmenopausal women reported ever-use of CAM therapies/NPI for menopausal symptom relief, with lower use reported by older women. Higher levels of education and previous MHT use were positive predictors of CAM/NPI use. UKCTOCS Trial registration: ISRCTN22488978