cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.5190502.v2
title: Organic and Third Phase in HNO<sub>3</sub>/TBP/<i>n</i>-Dodecane System: No Reverse Micelles

description: The composition and speciation of the organic and third phases in the system HNO<sub>3</sub>/TBP (tri-<i>n-</i>butyl phosphate)/<i>n</i>-dodecane have been examined by a combination of gravimetric, Karl Fischer analysis, chemical analysis, FTIR, and <sup>31</sup>P NMR spectroscopy, with particular emphasis on the transition from the two-phase to the three-phase region. Phase densities indicate that third-phase formation takes place for initial aqueous HNO<sub>3</sub> concentrations above 15 M, while the results from the stoichiometric analysis imply that the organic and third phases are characterized by two distinct species, namely the mono-solvate TBP⋅HNO<sub>3</sub> and the hemi-solvate TBP⋅2HNO<sub>3</sub>, respectively. Furthermore, the <sup>31</sup>P NMR spectra of organic and third phase show no significant chemical differences at the phosphorus centers, suggesting that the second HNO<sub>3</sub> molecule in the third phase is bound to HNO<sub>3</sub> rather than TBP. The third-phase FTIR spectra reveal stronger vibrational absorption bands at 1028, 1310, 1653, and 3200–3500 cm<sup>−1</sup>, reflecting higher concentrations of H<sub>2</sub>O, HNO<sub>3</sub>, and TBP. The molecular dynamics simulation data predict structures in accord with the spectroscopically identified speciation, indicating inequivalent HNO<sub>3</sub> molecules in the third phase. The predicted structures of the organic and third phases are more akin to microemulsion networks rather than the distinct, reverse micelles assumed in previous studies. H<sub>2</sub>O appears to be present as a disordered hydrogen-bonded solvate stabilizing the polar TBP/HNO<sub>3</sub> aggregates in the organic matrix, and not as a strongly bound hydrate species in aggregates with defined stoichiometry.
DOI: 10.6084/m9.figshare.5190502.v1
title: Organic and Third Phase in HNO<sub>3</sub>/TBP/<i>n</i>-Dodecane System: No Reverse Micelles

description: The composition and speciation of the organic and third phases in the system HNO<sub>3</sub>/TBP (tri-<i>n-</i>butyl phosphate)/<i>n</i>-dodecane have been examined by a combination of gravimetric, Karl Fischer analysis, chemical analysis, FTIR, and <sup>31</sup>P NMR spectroscopy, with particular emphasis on the transition from the two-phase to the three-phase region. Phase densities indicate that third-phase formation takes place for initial aqueous HNO<sub>3</sub> concentrations above 15 M, while the results from the stoichiometric analysis imply that the organic and third phases are characterized by two distinct species, namely the mono-solvate TBP⋅HNO<sub>3</sub> and the hemi-solvate TBP⋅2HNO<sub>3</sub>, respectively. Furthermore, the <sup>31</sup>P NMR spectra of organic and third phase show no significant chemical differences at the phosphorus centers, suggesting that the second HNO<sub>3</sub> molecule in the third phase is bound to HNO<sub>3</sub> rather than TBP. The third-phase FTIR spectra reveal stronger vibrational absorption bands at 1028, 1310, 1653, and 3200–3500 cm<sup>−1</sup>, reflecting higher concentrations of H<sub>2</sub>O, HNO<sub>3</sub>, and TBP. The molecular dynamics simulation data predict structures in accord with the spectroscopically identified speciation, indicating inequivalent HNO<sub>3</sub> molecules in the third phase. The predicted structures of the organic and third phases are more akin to microemulsion networks rather than the distinct, reverse micelles assumed in previous studies. H<sub>2</sub>O appears to be present as a disordered hydrogen-bonded solvate stabilizing the polar TBP/HNO<sub>3</sub> aggregates in the organic matrix, and not as a strongly bound hydrate species in aggregates with defined stoichiometry.
DOI: 10.6084/m9.figshare.5189641
title: Data Files If Funders and Libraries.xlsx

description: Data on funders and revenue for articles published by eLife and PLOS, and aggregated by BioOne for 2015, as part of a model for open access publishing in which funders and libraries (for unsponsored research) pay publishers directly. Data is used in article "If funders and libraries subscribed to open access: The case of eLife, PLOS, and BioOne."<br>
DOI: 10.6084/m9.figshare.5189296
title: Materi Edukasi Fly Indonesia

description: <pre>We will publish materials that promote and support the use of the fruit fly Drosophila melanogaster in biomedical research in Indonesia. For more information, please visit https://flyindonesia.wordpress.com/<br> <br></pre>Kami akan mempublish berbagai material yang dapat digunakan untuk memmpromosikan dan mendukung penggunaan lalat buah Drosophila melanogaster dalam penelitian biomedik di Indonesia. Untuk informasi lebih lanjut kunjungi https://flyindonesia.wordpress<br>
DOI: 10.6084/m9.figshare.5189215
title: Comprehensive knowledge of ministry of health approved male circumcision messages in a high HIV prevalence and low circumcision coverage setting in northern Uganda

description: I collected the data from 582 respondents from three communities (Awach, Lalogi and municipality) were from the community and 27 service providers from four static sites. This comprised of four circumcision team (circumciser, assistant, councillor and mobiliser who are mainly called village health team members.It was a cross section survey where we administered questionnaires and analysis was done using stata 12. I have a do file
DOI: 10.6084/m9.figshare.5189296.v1
title: Materi Edukasi Fly Indonesia

description: <pre>We will publish materials that promote and support the use of the fruit fly Drosophila melanogaster in biomedical research in Indonesia. For more information, please visit https://flyindonesia.wordpress.com/<br> <br></pre>Kami akan mempublish berbagai material yang dapat digunakan untuk memmpromosikan dan mendukung penggunaan lalat buah Drosophila melanogaster dalam penelitian biomedik di Indonesia. Untuk informasi lebih lanjut kunjungi https://flyindonesia.wordpress<br>
DOI: 10.6084/m9.figshare.5189215.v1
title: Comprehensive knowledge of ministry of health approved male circumcision messages in a high HIV prevalence and low circumcision coverage setting in northern Uganda

description: I collected the data from 582 respondents from three communities (Awach, Lalogi and municipality) were from the community and 27 service providers from four static sites. This comprised of four circumcision team (circumciser, assistant, councillor and mobiliser who are mainly called village health team members.It was a cross section survey where we administered questionnaires and analysis was done using stata 12. I have a do file
DOI: 10.6084/m9.figshare.5189065
title: Species-specific growth patterns of trees neighboring dead oak trees caused by Japanese oak wilt disease

description: To test whether the effects of mortality caused by Japanese oak wilt disease on the growth patterns of surrounding trees depend on the sizes, densities, and proximities of the dead trees and whether the dependency differs among species, we examined the effects of mortality in the dominant oak species, <i>Quercus serrata</i>, caused by Japanese oak wilt disease on the growth rates of surrounding trees in a temperate forest in Japan. Using data on the diameters at breast height and spatial locations of trees sampled in a 1-ha plot, we evaluated the relationships between the absolute growth rate of 11 dominant species and the competition index (CI) between the neighboring tree and the dead <i>Q. serrata</i> tree. The CI of a focal tree was calculated from the sizes and densities of dead <i>Q. serrata</i> trees within a particular radius (2.5–30 m, 2.5-m intervals) of the focal tree. Of the 11 species, eight shade-tolerant species had significant positive coefficients for CI. Our results indicate that the mortality of the oak trees increased the growth rates of some shade-tolerant species, depending on the sizes and proximities of the dead trees, and that timing of the increases differed among shade-tolerant species.
DOI: 10.6084/m9.figshare.5189065.v1
title: Species-specific growth patterns of trees neighboring dead oak trees caused by Japanese oak wilt disease

description: To test whether the effects of mortality caused by Japanese oak wilt disease on the growth patterns of surrounding trees depend on the sizes, densities, and proximities of the dead trees and whether the dependency differs among species, we examined the effects of mortality in the dominant oak species, <i>Quercus serrata</i>, caused by Japanese oak wilt disease on the growth rates of surrounding trees in a temperate forest in Japan. Using data on the diameters at breast height and spatial locations of trees sampled in a 1-ha plot, we evaluated the relationships between the absolute growth rate of 11 dominant species and the competition index (CI) between the neighboring tree and the dead <i>Q. serrata</i> tree. The CI of a focal tree was calculated from the sizes and densities of dead <i>Q. serrata</i> trees within a particular radius (2.5–30 m, 2.5-m intervals) of the focal tree. Of the 11 species, eight shade-tolerant species had significant positive coefficients for CI. Our results indicate that the mortality of the oak trees increased the growth rates of some shade-tolerant species, depending on the sizes and proximities of the dead trees, and that timing of the increases differed among shade-tolerant species.
DOI: 10.6084/m9.figshare.5189020
title: The Politics of Treaty Signature: The Role of Diplomats and Ties that Bind

description: The dispute between India and Pakistan over Kashmir is one of the world's most protracted and potentially dangerous conflicts. While the international community has strong interest in limiting violent conflagration between the two states; third party action aimed at amelioration has been very limited. This contrasts with overall global mediation efforts, which have increased in the post-Cold War period. Using archival research, this study explores the reasons for the Government of India's implacable opposition to any external intervention in the conflict. We argue that both strategic and ideational motivations have influenced its decisions. In particular, India's strict adherence to the principle of strategic autonomy precludes the possibility of accepting external mediation. By exploring how and why strategic and ideational motivations intersect to become a formidable barrier to third party intervention, this article contributes to our understanding of why certain countries develop resistance to mediation.Table S1. Selected multilateral treaties; Table S2. Top ten states’ (averaged) diplomatic missions to the United Nations and specific treaty negotiations; Figure S1 Distribution of UN diplomatic representation and treaty-specific diplomatic representation variables representation; TABLE S3. Explanatory variables in the signature and ratification models; TABLE S4. Excerpt of the count data <em></em> <br><br><br><br><br><br><br><em><br></em> <br><br><em> </em><em> </em>
DOI: 10.6084/m9.figshare.5189029
title: Modelling magnetic anisotropy of single-chain magnets in |<i>d</i>/<i>J</i>| ≥ 1 regime

description: Single-molecule magnets (SMMs) with single-ion anisotropies comparable to exchange interactions <i>J</i> between spins have recently been synthesised. Here, we provide theoretical insights into the magnetism of such systems. We study spin chains with site-spins, <i>s</i> = 1, 3/2 and 2 and strength of on-site anisotropy comparable to the exchange constants between the spins. We find that large on-site anisotropies lead to crossing of the states with different <i>M</i><sub><i>S</i></sub> values in the same spin manifold to which they belong in the absence of anisotropy. When on-site anisotropy is increased further, we also find that the <i>M</i><sub><i>S</i></sub> states of the higher energy spin states descend below the <i>M</i><sub><i>S</i></sub> states of the ground spin manifold. Giant spin in this limit is no longer conserved and describing the axial and rhombic anisotropies of the molecule, <i>D</i><sub><i>M</i></sub> and <i>E</i><sub><i>M</i></sub>, respectively, is not possible. However, the giant spin of the low-lying large <i>M</i><sub><i>S</i></sub> states is very nearly an integer and, using this spin value, it is possible to construct an effective spin-Hamiltonian and compute the molecular magnetic anisotropy constants <i>D</i><sub><i>M</i></sub> and <i>E</i><sub><i>M</i></sub>. We report effect of finite sizes, rotations of site anisotropies and chain dimerisation on the effective anisotropy of the spin chains.
DOI: 10.6084/m9.figshare.5189002.v1
title: Error and anomaly detection for intra-participant time-series data

description: Identification of errors or anomalous values, collectively considered outliers, assists in exploring data or through removing outliers improves statistical analysis. In biomechanics, outlier detection methods have explored the ‘shape’ of the entire cycles, although exploring fewer points using a ‘moving-window’ may be advantageous. Hence, the aim was to develop a moving-window method for detecting trials with outliers in intra-participant time-series data. Outliers were detected through two stages for the strides (mean 38 cycles) from treadmill running. Cycles were removed in stage 1 for one-dimensional (spatial) outliers at each time point using the median absolute deviation, and in stage 2 for two-dimensional (spatial–temporal) outliers using a moving window standard deviation. Significance levels of the t-statistic were used for scaling. Fewer cycles were removed with smaller scaling and smaller window size, requiring more stringent scaling at stage 1 (mean 3.5 cycles removed for 0.0001 scaling) than at stage 2 (mean 2.6 cycles removed for 0.01 scaling with a window size of 1). Settings in the supplied Matlab code should be customised to each data set, and outliers assessed to justify whether to retain or remove those cycles. The method is effective in identifying trials with outliers in intra-participant time series data.
DOI: 10.6084/m9.figshare.5189020.v1
title: The Politics of Treaty Signature: The Role of Diplomats and Ties that Bind

description: The dispute between India and Pakistan over Kashmir is one of the world's most protracted and potentially dangerous conflicts. While the international community has strong interest in limiting violent conflagration between the two states; third party action aimed at amelioration has been very limited. This contrasts with overall global mediation efforts, which have increased in the post-Cold War period. Using archival research, this study explores the reasons for the Government of India's implacable opposition to any external intervention in the conflict. We argue that both strategic and ideational motivations have influenced its decisions. In particular, India's strict adherence to the principle of strategic autonomy precludes the possibility of accepting external mediation. By exploring how and why strategic and ideational motivations intersect to become a formidable barrier to third party intervention, this article contributes to our understanding of why certain countries develop resistance to mediation.Table S1. Selected multilateral treaties; Table S2. Top ten states’ (averaged) diplomatic missions to the United Nations and specific treaty negotiations; Figure S1 Distribution of UN diplomatic representation and treaty-specific diplomatic representation variables representation; TABLE S3. Explanatory variables in the signature and ratification models; TABLE S4. Excerpt of the count data <em></em> <br><br><br><br><br><br><br><em><br></em> <br><br><em> </em><em> </em>
DOI: 10.6084/m9.figshare.5188636
title: Twenty-Seven Years of Manual Fresh Snowfall Density Measurements on Whistler Mountain, British Columbia

description: Snow density is important information for a wide range of activities including avalanche control, marketing, building-code development, weather forecasting, and water supply forecasting. Extended recent high-quality datasets from the mountainous regions of the Pacific Northwest coastal area are rare. This paper presents a study of an unusually long and continuous (January 1990 to April 2016) manually collected dataset of fresh snowfall measurements for Whistler Mountain, British Columbia, Canada. The dataset consists of snowboard core measurements that were collected by Whistler–Blackcomb ski patrol staff twice daily for avalanche control and resort-marketing purposes. These records were collated, transcribed, quality controlled, and made computer accessible in this study. A discussion of the characteristics of the data collection site and an assessment of data reliability are presented. Two examples of the many purposes to which this high-quality dataset might be put were studied. Climatic teleconnections to winter (December–February) mean snow density were examined, which revealed a positive relationship to the quadratic form of the Pacific Decadal Oscillation pattern (i.e., PDO<sup>2</sup>). In addition, an analysis of daily snow density relationships to air mass types was performed, which suggested that higher (lower) densities are associated with maritime inflow (arctic outflow) conditions. Both of these relationships appear to be mediated by the positive correlation between snow density and air temperature. Based on the full dataset (<i>N</i> = 1275 individual snow density measurements) for all months with measured snowfall, annual snowfall season (November to May) mean snow densities ranged from 77 kg m<sup>−3</sup> to 109 kg m<sup>−3</sup> with an overall mean of 91 kg m<sup>−3</sup>, giving an overall snow-depth to water-depth ratio of 11:1.
DOI: 10.6084/m9.figshare.5188636.v1
title: Twenty-Seven Years of Manual Fresh Snowfall Density Measurements on Whistler Mountain, British Columbia

description: Snow density is important information for a wide range of activities including avalanche control, marketing, building-code development, weather forecasting, and water supply forecasting. Extended recent high-quality datasets from the mountainous regions of the Pacific Northwest coastal area are rare. This paper presents a study of an unusually long and continuous (January 1990 to April 2016) manually collected dataset of fresh snowfall measurements for Whistler Mountain, British Columbia, Canada. The dataset consists of snowboard core measurements that were collected by Whistler–Blackcomb ski patrol staff twice daily for avalanche control and resort-marketing purposes. These records were collated, transcribed, quality controlled, and made computer accessible in this study. A discussion of the characteristics of the data collection site and an assessment of data reliability are presented. Two examples of the many purposes to which this high-quality dataset might be put were studied. Climatic teleconnections to winter (December–February) mean snow density were examined, which revealed a positive relationship to the quadratic form of the Pacific Decadal Oscillation pattern (i.e., PDO<sup>2</sup>). In addition, an analysis of daily snow density relationships to air mass types was performed, which suggested that higher (lower) densities are associated with maritime inflow (arctic outflow) conditions. Both of these relationships appear to be mediated by the positive correlation between snow density and air temperature. Based on the full dataset (<i>N</i> = 1275 individual snow density measurements) for all months with measured snowfall, annual snowfall season (November to May) mean snow densities ranged from 77 kg m<sup>−3</sup> to 109 kg m<sup>−3</sup> with an overall mean of 91 kg m<sup>−3</sup>, giving an overall snow-depth to water-depth ratio of 11:1.
DOI: 10.6084/m9.figshare.5188624
title: The structural insights of 16.3 kDa heat shock protein (HSP16.3) from <i>Mycobacterium tuberculosis</i> via <i>in silico</i> study

description: <i>Mycobacterium tuberculosis</i> (Mtb) is capable of surviving in dormancy before developing to tuberculosis (TB). One of the major challenges of TB management is the identification of patients, making TB diagnosis critical for disease management. This study focuses on the 16 kDa heat shock protein (HSP16.3; a potential biomarker for latent TB infection) that is expressed during the latent phase of Mtb growth. In order to explore the dynamics and interactions of HSP16.3, the 3-D structure of HSP16.3 was built via comparative modelling. The predicted structure shows a predominantly beta-sheet dodecamer with alpha-helical folds at its N-terminal. A known protein-hydrophobic probe (1,1′-Bi(4-anilino)naphthalene-5,5′-disulfonic acid; bisANS) was docked to the HSP16.3 model. Interacting residues predicted from docking and MD simulations are in good accordance with experimental data reported in the literature. MMPBSA calculation from MD simulation also showed favourable binding free energy of −29.90 kcal/mol, driven mainly by van der waals and non-polar solvation energies. The statistical evaluation and results from the computational study on HSP16.3 indicate the reliability of the built model, which is potentially useful for further structural studies of HSP16.3 for latent TB diagnostics.
DOI: 10.6084/m9.figshare.5188630
title: Subpixel land-cover classification for improved urban area estimates using Landsat

description: Urban areas are Earth’s fastest growing land use that impact hydrological and ecological systems and the surface energy balance. The identification and extraction of accurate spatial information relating to urban areas is essential for future sustainable city planning owing to its importance within global environmental change and human–environment interactions. However, monitoring urban expansion using medium resolution (30–250 m) imagery remains challenging due to the variety of surface materials that contribute to measured reflectance resulting in spectrally mixed pixels. This research integrates high spatial resolution orthophotos and Landsat imagery to identify differences across a range of diverse urban subsets within the rapidly expanding Perth Metropolitan Region (PMR), Western Australia. Results indicate that calibrating Landsat-derived subpixel land-cover estimates with correction values (calculated from spatially explicit comparisons of subpixel Landsat values to classified high-resolution data which accounts for over [under] estimations of Landsat) reduces moderate resolution urban area over (under) estimates by on an average 55.08% for the PMR. This approach can be applied to other urban areas globally through use of frequently available and/or low-cost high spatial resolution imagery (e.g. using Google Earth). This will improve urban growth estimations to help monitor and measure change whilst providing metrics to facilitate sustainable urban development targets within cities around the world.