cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.4780690.v1
title: Annual anomalies and trends for TOMS reflectivities (1978–2005) in the Southern Hemisphere

description: Annual anomalies of Lambertian equivalent reflectivity (LER) retrieved from the total ozone mapping spectrometer spanning the period November 1978–November 2005 were studied in the Southern Hemisphere, in a region bounded by 0° S and 60° S, and their trends were estimated. With the exception of few regions where the variable may represent the contribution of both cloudiness and snow, trends in LER anomalies provided an evolution of total cloudiness. On average, the study region experienced a net increase in LER values of 0.78 reflectivity units (RU) decade<b><sup>−1</sup></b>; if only significant trend values are considered this figure increased to 1.18 RU decade<b><sup>−1</sup></b>. The region that showed the largest upward trend, up to 4 RU decade<b><sup>−1</sup></b>, was located over the eastern Pacific, off the coasts of Chile and Peru, where the presence of marine stratocumulus is frequent. Despite the overall positive trend there were regions that yielded a negative one, most notably the tropical latitudes of South America and Africa. The yearly zonal means also showed a positive trend at all latitudes, but significance occurred beyond 20° S only. Correlation maps between LER anomalies and five different circulation indices were also introduced. The indices with the highest and lowest number of significant correlation values were the Madden–Julian oscillation at 70° E and the quasi-biennial Oscillation, respectively.
DOI: 10.6084/m9.figshare.4780639
title: High-resolution near real-time drought monitoring in South Asia

description: The dataset contains district and sub-basin level precipitation, maximum and minimum temperatures. Moreover, Standardized Precipitation Index (SPI) and Standardized Precipitation Evapotranspiration Index (SPEI) data are provided from 1981 onwards.<br><br>More details can be found in the readme file.<br>
DOI: 10.6084/m9.figshare.4780636.v1
title: Data_BritoB_UpcomingForestTradingMechanism.xlsx

description: Dataset related to the paper Potential Trajectories of the Upcoming Forest Trading Mechanism in Pará State, Brazilian Amazon.
DOI: 10.6084/m9.figshare.4780639.v1
title: High-resolution near real-time drought monitoring in South Asia

description: The dataset contains district and sub-basin level precipitation, maximum and minimum temperatures. Moreover, Standardized Precipitation Index (SPI) and Standardized Precipitation Evapotranspiration Index (SPEI) data are provided from 1981 onwards.<br><br>More details can be found in the readme file.<br>
DOI: 10.6084/m9.figshare.4780558
title: R Code for Literature Review from Integrating plant ecological responses to climate extremes from individual to ecosystem levels

description: Climate extremes will elicit responses from the individual to the ecosystem level. However, only recently have ecologists begun to synthetically assess responses to climate extremes across multiple levels of ecological organization. We review the literature to examine how plant responses vary and interact across levels of organization, focusing on how individual, population and community responses may inform ecosystem-level responses in herbaceous and forest plant communities. We report a high degree of variability at the individual level, and a consequential inconsistency in the translation of individual or population responses to directional changes in community- or ecosystem-level processes. The scaling of individual or population responses to community or ecosystem responses is often predicated upon the functional identity of the species in the community, in particular, the dominant species. Furthermore, the reported stability in plant community composition and functioning with respect to extremes is often driven by processes that operate at the community level, such as species niche partitioning and compensatory responses during or after the event. Future research efforts would benefit from assessing ecological responses across multiple levels of organization, as this will provide both a holistic and mechanistic understanding of ecosystem responses to increasing climatic variability.This article is part of the themed issue ‘Behavioural, ecological and evolutionary responses to extreme climatic events’.
DOI: 10.6084/m9.figshare.4780549
title: Table S2 from Effects of extreme weather on two sympatric Australian passerine bird species

description: Model selection Tables for survival of red-winged fairy-wrens caught in (a) winter and (b) summer, and survival of white-browed scrubwrens caught in (c) winter and (d) summer showing the top 100 models.
DOI: 10.6084/m9.figshare.4780549.v1
title: Table S2 from Effects of extreme weather on two sympatric Australian passerine bird species

description: Model selection Tables for survival of red-winged fairy-wrens caught in (a) winter and (b) summer, and survival of white-browed scrubwrens caught in (c) winter and (d) summer showing the top 100 models.
DOI: 10.6084/m9.figshare.4780558.v1
title: R Code for Literature Review from Integrating plant ecological responses to climate extremes from individual to ecosystem levels

description: Climate extremes will elicit responses from the individual to the ecosystem level. However, only recently have ecologists begun to synthetically assess responses to climate extremes across multiple levels of ecological organization. We review the literature to examine how plant responses vary and interact across levels of organization, focusing on how individual, population and community responses may inform ecosystem-level responses in herbaceous and forest plant communities. We report a high degree of variability at the individual level, and a consequential inconsistency in the translation of individual or population responses to directional changes in community- or ecosystem-level processes. The scaling of individual or population responses to community or ecosystem responses is often predicated upon the functional identity of the species in the community, in particular, the dominant species. Furthermore, the reported stability in plant community composition and functioning with respect to extremes is often driven by processes that operate at the community level, such as species niche partitioning and compensatory responses during or after the event. Future research efforts would benefit from assessing ecological responses across multiple levels of organization, as this will provide both a holistic and mechanistic understanding of ecosystem responses to increasing climatic variability.This article is part of the themed issue ‘Behavioural, ecological and evolutionary responses to extreme climatic events’.
DOI: 10.6084/m9.figshare.4780540
title: Dataset for Literature Review from Integrating plant ecological responses to climate extremes from individual to ecosystem levels

description: Climate extremes will elicit responses from the individual to the ecosystem level. However, only recently have ecologists begun to synthetically assess responses to climate extremes across multiple levels of ecological organization. We review the literature to examine how plant responses vary and interact across levels of organization, focusing on how individual, population and community responses may inform ecosystem-level responses in herbaceous and forest plant communities. We report a high degree of variability at the individual level, and a consequential inconsistency in the translation of individual or population responses to directional changes in community- or ecosystem-level processes. The scaling of individual or population responses to community or ecosystem responses is often predicated upon the functional identity of the species in the community, in particular, the dominant species. Furthermore, the reported stability in plant community composition and functioning with respect to extremes is often driven by processes that operate at the community level, such as species niche partitioning and compensatory responses during or after the event. Future research efforts would benefit from assessing ecological responses across multiple levels of organization, as this will provide both a holistic and mechanistic understanding of ecosystem responses to increasing climatic variability.This article is part of the themed issue ‘Behavioural, ecological and evolutionary responses to extreme climatic events’.
DOI: 10.6084/m9.figshare.4780540.v1
title: Dataset for Literature Review from Integrating plant ecological responses to climate extremes from individual to ecosystem levels

description: Climate extremes will elicit responses from the individual to the ecosystem level. However, only recently have ecologists begun to synthetically assess responses to climate extremes across multiple levels of ecological organization. We review the literature to examine how plant responses vary and interact across levels of organization, focusing on how individual, population and community responses may inform ecosystem-level responses in herbaceous and forest plant communities. We report a high degree of variability at the individual level, and a consequential inconsistency in the translation of individual or population responses to directional changes in community- or ecosystem-level processes. The scaling of individual or population responses to community or ecosystem responses is often predicated upon the functional identity of the species in the community, in particular, the dominant species. Furthermore, the reported stability in plant community composition and functioning with respect to extremes is often driven by processes that operate at the community level, such as species niche partitioning and compensatory responses during or after the event. Future research efforts would benefit from assessing ecological responses across multiple levels of organization, as this will provide both a holistic and mechanistic understanding of ecosystem responses to increasing climatic variability.This article is part of the themed issue ‘Behavioural, ecological and evolutionary responses to extreme climatic events’.
DOI: 10.6084/m9.figshare.4780516
title: Raw spectrophotometer data for colour gradient experiments

description: Raw spectrophotometer data for colour gradient experiments MB= 75% brown, 25% green paint mix5050BG= 50% brown, 50% green paint mixMG= 25% brown, 75% green paint mix
DOI: 10.6084/m9.figshare.4780519
title: Raw spectrophotometer files for luminance gradient experiment

description: Raw spectrophotometer files for luminance gradient experiment (black, greys and white dowels)
DOI: 10.6084/m9.figshare.4780516.v2
title: Raw spectrophotometer data for chroma gradient experiments

description: Raw spectrophotometer data for chroma gradient experiments MB= 75% brown, 25% green paint mix5050BG= 50% brown, 50% green paint mixMG= 25% brown, 75% green paint mix
DOI: 10.6084/m9.figshare.4780519.v1
title: Raw spectrophotometer files for luminance gradient experiment

description: Raw spectrophotometer files for luminance gradient experiment (black, greys and white dowels)
DOI: 10.6084/m9.figshare.4780516.v1
title: Raw spectrophotometer data for chroma gradient experiments

description: Raw spectrophotometer data for chroma gradient experiments MB= 75% brown, 25% green paint mix5050BG= 50% brown, 50% green paint mixMG= 25% brown, 75% green paint mix
DOI: 10.6084/m9.figshare.4780519.v3
title: Raw spectrophotometer files for luminance gradient experiment

description: Raw spectrophotometer files for luminance gradient experiment (black, greys and white dowels)
DOI: 10.6084/m9.figshare.4780465
title: Subject information and datasets.

description: Data comparison study: contains subject information, gait parameters, MVIC and RFD data from the comparison study.Data intratester: contains subject information and intra-tester MVIC and RFD dataData intertester: contains subject information and inter-tester MVIC and RFD data
DOI: 10.6084/m9.figshare.4780489
title: EG9PP_IBD.Rdata

description: IBD kinship matrices of oil palm multiparental population Eg9PP
DOI: 10.6084/m9.figshare.4780519.v2
title: Raw spectrophotometer files for luminance gradient experiment

description: Raw spectrophotometer files for luminance gradient experiment (black, greys and white dowels)
DOI: 10.6084/m9.figshare.4780489.v1
title: EG9PP_IBD.Rdata

description: IBD kinship matrices of oil palm multiparental population Eg9PP
DOI: 10.6084/m9.figshare.4780465.v2
title: Subject information and datasets.

description: Data comparison study: contains subject information, gait parameters, MVIC and RFD data from the comparison study.Data intratester: contains subject information and intra-tester MVIC and RFD dataData intertester: contains subject information and inter-tester MVIC and RFD data
DOI: 10.6084/m9.figshare.4780456
title: Complex atomic networks, Ahnert, Grant, and Pickard, 2017

description: This directory contain the data associated with the paper:<br>"Revealing and exploiting hierarchical material structure through complex atomic networks",Ahnert, Grant and Pickard, 2017<br>Enthalpy:--------<br>This directory contains the data generated in the construction of the pressure enthalpyplot presented in Fig. 5. The orginal GRACE .agr file is provided.<br>Further computational details are provided in the headers of the supplied SHELX “.res” files.<br>The format for the TITL line is as follows:<br>TITL n - <br><br>An example:<br>host:castep_relaxed cjp10$ head -20 B_0-R-3m.resTITL B_0-R-3m -0.0077 260.294296 -3.26536225E+003 0 0 36 (R-3m) n - 1REMREM Run started: Fri, 16 Dec 2016 12:31:41 +0000 in /homes/cjp/RUNS/B/EnthalpyREM CASTEP 17.2 from code version 09afcf2f8958+ Thu, 06 Oct 2016 18:29:04 +0100REM Functional Perdew Burke Ernzerhof Relativity Koelling-Harmon Dispersion offREM Cut-off 700.0000 eV Grid scale 2.0000 Gmax 40.6639 1/A FBSC automaticREM MP grid 8 8 3 Offset 0.000 0.000 0.000 No. kpts 56 Spacing 0.03REM B 2|1.2|12|14|16|20:21(qc=8)REMCELL 1.54180 4.896083 4.896083 12.53503 90 90 119.9746LATT -1SFAC BB 1 0.0600333867930 0.5299740807293 0.3090901037368 1.0B 1 0.7267000534597 0.8633074140627 0.6424234370701 1.0B 1 0.3933667201263 0.1966407473960 0.9757567704035 1.0B 1 0.4699327392005 0.5300696536170 0.3090645995859 1.0B 1 0.1365994058672 0.8634029869504 0.6423979329193 1.0B 1 0.8032660725339 0.1967363202837 0.9757312662526 1.0B 1 0.4700283120882 0.9399690060246 0.3090901037368 1.0B 1 0.1366949787549 0.2733023393579 0.6424234370701 1.0host:castep_relaxed cjp10$<br>Search:------<br>The 3303 relax random structures described in the manuscript are provided. The "*.res" file format is asabove, and the annotated CASTEP input files are included. The annotations are used in the generation of theintial random structures. A ranking of the structures is provided in ranking.txt.<br>Heatmaps & Modules:------------------<br>The data on the module decompositions for the examples discussed in the manuscript are provided, along withthe heatmaps generated in the course of the optimisation.
DOI: 10.6084/m9.figshare.4780459
title: 4D measurements of biological and synthetic structures using a dynamic interferometer

description: Considering the deficiency of time elapsed for phase-stepping interferometric techniques and the need of developing non-contact and on-line measurement with high accuracy, a single-shot phase-shifting triple-interferometer (PSTI) is developed for analysis of characteristics of transparent structures and optical path difference (OPD) measurements. In the proposed PSTI, coupled three interferometers which generate four interference patterns, and a polarizer array is used as phase shifters to produce four spatially separated interferograms with π/2-phase shifts, which are recorded in a single capture by a camera. The configuration of the PSTI allows dynamic measurements (4D measurements) and does not require vibration isolation. We have applied the developed system to examine the size and OPD of cells, and the slope of thin films
DOI: 10.6084/m9.figshare.4780459.v1
title: 4D measurements of biological and synthetic structures using a dynamic interferometer

description: Considering the deficiency of time elapsed for phase-stepping interferometric techniques and the need of developing non-contact and on-line measurement with high accuracy, a single-shot phase-shifting triple-interferometer (PSTI) is developed for analysis of characteristics of transparent structures and optical path difference (OPD) measurements. In the proposed PSTI, coupled three interferometers which generate four interference patterns, and a polarizer array is used as phase shifters to produce four spatially separated interferograms with π/2-phase shifts, which are recorded in a single capture by a camera. The configuration of the PSTI allows dynamic measurements (4D measurements) and does not require vibration isolation. We have applied the developed system to examine the size and OPD of cells, and the slope of thin films
DOI: 10.6084/m9.figshare.4780465.v1
title: Subject information and datasets.

description: Data comparison study: contains subject information, gait parameters, MVIC and RFD data from the comparison study.Data intratester: contains subject information and intra-tester MVIC and RFD dataData intertester: contains subject information and inter-tester MVIC and RFD data
DOI: 10.6084/m9.figshare.4780456.v1
title: Complex atomic networks, Ahnert, Grant, and Pickard, 2017

description: This directory contain the data associated with the paper:<br>"Revealing and exploiting hierarchical material structure through complex atomic networks",Ahnert, Grant and Pickard, 2017<br>Enthalpy:--------<br>This directory contains the data generated in the construction of the pressure enthalpyplot presented in Fig. 5. The orginal GRACE .agr file is provided.<br>Further computational details are provided in the headers of the supplied SHELX “.res” files.<br>The format for the TITL line is as follows:<br>TITL n - <br><br>An example:<br>host:castep_relaxed cjp10$ head -20 B_0-R-3m.resTITL B_0-R-3m -0.0077 260.294296 -3.26536225E+003 0 0 36 (R-3m) n - 1REMREM Run started: Fri, 16 Dec 2016 12:31:41 +0000 in /homes/cjp/RUNS/B/EnthalpyREM CASTEP 17.2 from code version 09afcf2f8958+ Thu, 06 Oct 2016 18:29:04 +0100REM Functional Perdew Burke Ernzerhof Relativity Koelling-Harmon Dispersion offREM Cut-off 700.0000 eV Grid scale 2.0000 Gmax 40.6639 1/A FBSC automaticREM MP grid 8 8 3 Offset 0.000 0.000 0.000 No. kpts 56 Spacing 0.03REM B 2|1.2|12|14|16|20:21(qc=8)REMCELL 1.54180 4.896083 4.896083 12.53503 90 90 119.9746LATT -1SFAC BB 1 0.0600333867930 0.5299740807293 0.3090901037368 1.0B 1 0.7267000534597 0.8633074140627 0.6424234370701 1.0B 1 0.3933667201263 0.1966407473960 0.9757567704035 1.0B 1 0.4699327392005 0.5300696536170 0.3090645995859 1.0B 1 0.1365994058672 0.8634029869504 0.6423979329193 1.0B 1 0.8032660725339 0.1967363202837 0.9757312662526 1.0B 1 0.4700283120882 0.9399690060246 0.3090901037368 1.0B 1 0.1366949787549 0.2733023393579 0.6424234370701 1.0host:castep_relaxed cjp10$<br>Search:------<br>The 3303 relax random structures described in the manuscript are provided. The "*.res" file format is asabove, and the annotated CASTEP input files are included. The annotations are used in the generation of theintial random structures. A ranking of the structures is provided in ranking.txt.<br>Heatmaps & Modules:------------------<br>The data on the module decompositions for the examples discussed in the manuscript are provided, along withthe heatmaps generated in the course of the optimisation.
DOI: 10.6084/m9.figshare.4780438
title: Quantitative structure–activity relationship analysis and virtual screening studies for identifying HDAC2 inhibitors from known HDAC bioactive chemical libraries

description: Histone deacetylases (HDAC) are emerging as promising targets in cancer, neuronal diseases and immune disorders. Computational modelling approaches have been widely applied for the virtual screening and rational design of novel HDAC inhibitors. In this study, different machine learning (ML) techniques were applied for the development of models that accurately discriminate HDAC2 inhibitors form non-inhibitors. The obtained models showed encouraging results, with the global accuracy in the external set ranging from 0.83 to 0.90. Various aspects related to the comparison of modelling techniques, applicability domain and descriptor interpretations were discussed. Finally, consensus predictions of these models were used for screening HDAC2 inhibitors from four chemical libraries whose bioactivities against HDAC1, HDAC3, HDAC6 and HDAC8 have been known. According to the results of virtual screening assays, structures of some hits with pair-isoform-selective activity (between HDAC2 <i>and</i> other HDACs) were revealed. This study illustrates the power of ML-based QSAR approaches for the screening and discovery of potent, isoform-selective HDACIs.
DOI: 10.6084/m9.figshare.4780441
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.4780438.v1
title: Quantitative structure–activity relationship analysis and virtual screening studies for identifying HDAC2 inhibitors from known HDAC bioactive chemical libraries

description: Histone deacetylases (HDAC) are emerging as promising targets in cancer, neuronal diseases and immune disorders. Computational modelling approaches have been widely applied for the virtual screening and rational design of novel HDAC inhibitors. In this study, different machine learning (ML) techniques were applied for the development of models that accurately discriminate HDAC2 inhibitors form non-inhibitors. The obtained models showed encouraging results, with the global accuracy in the external set ranging from 0.83 to 0.90. Various aspects related to the comparison of modelling techniques, applicability domain and descriptor interpretations were discussed. Finally, consensus predictions of these models were used for screening HDAC2 inhibitors from four chemical libraries whose bioactivities against HDAC1, HDAC3, HDAC6 and HDAC8 have been known. According to the results of virtual screening assays, structures of some hits with pair-isoform-selective activity (between HDAC2 <i>and</i> other HDACs) were revealed. This study illustrates the power of ML-based QSAR approaches for the screening and discovery of potent, isoform-selective HDACIs.