cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.1040393.v2
title: The behaviour of tributyl phosphate in an organic diluent

description: Tributyl phosphate (TBP) is used as a complexing agent in the Plutonium Uranium Extraction (PUREX) liquid–liquid phase extraction process for recovering uranium and plutonium from spent nuclear reactor fuel. Here, we address the molecular and microstructure of the organic phases involved in the extraction process, using molecular dynamics to show that when TBP is mixed with a paraffinic diluent, the TBP self-assembles into a bi-continuous phase. The underlying self-association of TBP is driven by intermolecular interaction between its polar groups, resulting in butyl moieties radiating out into the organic solvent. Simulation predicts a TBP diffusion constant that is anomalously low compared to what might normally be expected for its size; experimental nuclear magnetic resonance (NMR) studies also indicate an extremely low diffusion constant, consistent with a molecular aggregation model. Simulation of TBP at an oil/water interface shows the formation of a bilayer system at low TBP concentrations. At higher concentrations, a bulk bi-continuous structure is observed linking to this surface bilayer. We suggest that this structure may be intimately connected with the surprisingly rapid kinetics of the interfacial mass transport of uranium and plutonium from the aqueous to the organic phase in the PUREX process.
DOI: 10.6084/m9.figshare.1040393.v3
title: The behaviour of tributyl phosphate in an organic diluent

description: Tributyl phosphate (TBP) is used as a complexing agent in the Plutonium Uranium Extraction (PUREX) liquid–liquid phase extraction process for recovering uranium and plutonium from spent nuclear reactor fuel. Here, we address the molecular and microstructure of the organic phases involved in the extraction process, using molecular dynamics to show that when TBP is mixed with a paraffinic diluent, the TBP self-assembles into a bi-continuous phase. The underlying self-association of TBP is driven by intermolecular interaction between its polar groups, resulting in butyl moieties radiating out into the organic solvent. Simulation predicts a TBP diffusion constant that is anomalously low compared to what might normally be expected for its size; experimental nuclear magnetic resonance (NMR) studies also indicate an extremely low diffusion constant, consistent with a molecular aggregation model. Simulation of TBP at an oil/water interface shows the formation of a bilayer system at low TBP concentrations. At higher concentrations, a bulk bi-continuous structure is observed linking to this surface bilayer. We suggest that this structure may be intimately connected with the surprisingly rapid kinetics of the interfacial mass transport of uranium and plutonium from the aqueous to the organic phase in the PUREX process.
DOI: 10.6084/m9.figshare.1040393.v5
title: The behaviour of tributyl phosphate in an organic diluent

description: Tributyl phosphate (TBP) is used as a complexing agent in the Plutonium Uranium Extraction (PUREX) liquid–liquid phase extraction process for recovering uranium and plutonium from spent nuclear reactor fuel. Here, we address the molecular and microstructure of the organic phases involved in the extraction process, using molecular dynamics to show that when TBP is mixed with a paraffinic diluent, the TBP self-assembles into a bi-continuous phase. The underlying self-association of TBP is driven by intermolecular interaction between its polar groups, resulting in butyl moieties radiating out into the organic solvent. Simulation predicts a TBP diffusion constant that is anomalously low compared to what might normally be expected for its size; experimental nuclear magnetic resonance (NMR) studies also indicate an extremely low diffusion constant, consistent with a molecular aggregation model. Simulation of TBP at an oil/water interface shows the formation of a bilayer system at low TBP concentrations. At higher concentrations, a bulk bi-continuous structure is observed linking to this surface bilayer. We suggest that this structure may be intimately connected with the surprisingly rapid kinetics of the interfacial mass transport of uranium and plutonium from the aqueous to the organic phase in the PUREX process.
DOI: 10.6084/m9.figshare.1040393.v4
title: The behaviour of tributyl phosphate in an organic diluent

description: Tributyl phosphate (TBP) is used as a complexing agent in the Plutonium Uranium Extraction (PUREX) liquid–liquid phase extraction process for recovering uranium and plutonium from spent nuclear reactor fuel. Here, we address the molecular and microstructure of the organic phases involved in the extraction process, using molecular dynamics to show that when TBP is mixed with a paraffinic diluent, the TBP self-assembles into a bi-continuous phase. The underlying self-association of TBP is driven by intermolecular interaction between its polar groups, resulting in butyl moieties radiating out into the organic solvent. Simulation predicts a TBP diffusion constant that is anomalously low compared to what might normally be expected for its size; experimental nuclear magnetic resonance (NMR) studies also indicate an extremely low diffusion constant, consistent with a molecular aggregation model. Simulation of TBP at an oil/water interface shows the formation of a bilayer system at low TBP concentrations. At higher concentrations, a bulk bi-continuous structure is observed linking to this surface bilayer. We suggest that this structure may be intimately connected with the surprisingly rapid kinetics of the interfacial mass transport of uranium and plutonium from the aqueous to the organic phase in the PUREX process.
DOI: 10.6084/m9.figshare.1040365.v2
title: <i>Maroccosuchus zennaroi</i> (Crocodylia: Tomistominae) from the Eocene of Morocco: phylogenetic and palaeobiogeographical implications of the basalmost tomistomine

description: <i>Maroccosuchus zennaroi</i> Jonet & Wouters, 1977 from the Ypresian of the Oulad Abdoun Basin (Morocco) is described in detail based on numerous and well-preserved specimens. A phylogenetic analysis including 64 ingroup taxa and 238 characters reveals that <i>M. zennaroi</i> is the basalmost tomistomine. This clade is supported by 10 unambiguous synapomorphies, while only two – both related to the snout shape and observed in gavialoids – support a closer relationship between <i>Kentisuchus spenceri</i> and later tomistomines. Their absence in <i>M. zennaroi</i> could reflect its intermediate morphology between basal crocodyloids and longirostrine tomistomines. This clearly indicates a Lower Eocene, and no older than Late Palaeocene age for the tomistomine emergence, questioning the Late Eocene, Oligocene and Miocene ages proposed for <i>Gavialis</i>–<i>Tomistoma</i> divergence by molecular analyses. Considering this analysis, the biogeographical history of the tomistomines is evaluated. This history begins in western Tethys during the Lower Eocene or latest Palaeocene, with <i>M. zennaroi</i> followed by several West European tomistomines. The Tethys becomes the centre of dispersal to North America, Africa and Asia. The phylogenetic analysis also suggests at least two independent dispersals from the Tethyan area to Asia, with the extant <i>Tomistoma schlegelii</i> more closely related to European Miocene forms in the first instance, and <i>Toyotamaphimeya machikanense</i> and <i>Penghusuchus pani</i> more closely related to the North American <i>Thecachampsa</i> in the second instance. However, the small number of remains from the Oligocene and Late Eocene does not allow a clear date of divergence and dispersal routes to be ascertained.
DOI: 10.6084/m9.figshare.1040365.v1
title: <i>Maroccosuchus zennaroi</i> (Crocodylia: Tomistominae) from the Eocene of Morocco: phylogenetic and palaeobiogeographical implications of the basalmost tomistomine

description: <i>Maroccosuchus zennaroi</i> Jonet & Wouters, 1977 from the Ypresian of the Oulad Abdoun Basin (Morocco) is described in detail based on numerous and well-preserved specimens. A phylogenetic analysis including 64 ingroup taxa and 238 characters reveals that <i>M. zennaroi</i> is the basalmost tomistomine. This clade is supported by 10 unambiguous synapomorphies, while only two – both related to the snout shape and observed in gavialoids – support a closer relationship between <i>Kentisuchus spenceri</i> and later tomistomines. Their absence in <i>M. zennaroi</i> could reflect its intermediate morphology between basal crocodyloids and longirostrine tomistomines. This clearly indicates a Lower Eocene, and no older than Late Palaeocene age for the tomistomine emergence, questioning the Late Eocene, Oligocene and Miocene ages proposed for <i>Gavialis</i>–<i>Tomistoma</i> divergence by molecular analyses. Considering this analysis, the biogeographical history of the tomistomines is evaluated. This history begins in western Tethys during the Lower Eocene or latest Palaeocene, with <i>M. zennaroi</i> followed by several West European tomistomines. The Tethys becomes the centre of dispersal to North America, Africa and Asia. The phylogenetic analysis also suggests at least two independent dispersals from the Tethyan area to Asia, with the extant <i>Tomistoma schlegelii</i> more closely related to European Miocene forms in the first instance, and <i>Toyotamaphimeya machikanense</i> and <i>Penghusuchus pani</i> more closely related to the North American <i>Thecachampsa</i> in the second instance. However, the small number of remains from the Oligocene and Late Eocene does not allow a clear date of divergence and dispersal routes to be ascertained.
DOI: 10.6084/m9.figshare.1040317.v1
title: DevoWorm Dataset

description: Dataset for the DevoWorm project. See the paper "From Waves to Wriggling" -- Figshare.
DOI: 10.6084/m9.figshare.1040317.v2
title: DevoWorm Dataset

description: Dataset for the DevoWorm project. See the paper "From Waves to Wriggling" -- Figshare.
DOI: 10.6084/m9.figshare.1039439
title: A Practical Approach for Data Assimilation of Optical EO data

description: Poster presented in the Sentinel2 for Science'2014 workshop held at ESA ESRIN in Frascati, Italy.
DOI: 10.6084/m9.figshare.1039439.v1
title: A Practical Approach for Data Assimilation of Optical EO data

description: Poster presented in the Sentinel2 for Science'2014 workshop held at ESA ESRIN in Frascati, Italy.
DOI: 10.6084/m9.figshare.1039415
title: Patterns in the larval vertical distribution of marine benthic invertebrates in a shallow coastal embayment. A Canadian Healthy Oceans Network Population Connectivity project, PC-06

description: Processes during the meroplanktonic phase regulate population dynamics for many marine benthic invertebrates. I examined changes in vertical distribution of different meroplanktonic larvae in a coastal embayment during a stable period, at high temporal frequencies and spatial resolutions. Meroplanktonic invertebrate larvae (Margarites spp., Crepidula spp., Astyris lunata, Diaphana minuta, Littorinimorpha, Arrhoges occidentalis, lyanassa spp., Bittiolum alternatum, Nudibranchia, Gastropods, Bivalves, Bryozoans, Brachyurans, Polychaetes, Carideans, and Asteroids) were collected off boat at 6 depths (3, 6, 9, 12, 18, 24 m) using a pump, every 2-h over a 36- (6-7 Aug 2009) and a 25-h (12-13 Aug 2009) period, during a spring and neap tide, respectively, concurrently with measures of temperature, salinity, fluorescence and current velocity in St. George's Bay, NS, Canada. This dataset was collected in the field (using a plankton pump, CTD, fluorometer and ADCP) for an MSc Thesis and 2 publications. This contains the standardized abundance (count m-3) of meroplanktonic larvae (Margarites spp., Crepidula spp., Astyris lunata, Diaphana minuta, Littorinimorpha, Arrhoges occidentalis, lyanassa spp., Bittiolum alternatum, Nudibranchia, Gastropods, Bivalves, Bryozoans, Brachyurans, Polychaetes, Carideans, and Asteroids), temperature, salinity, density, fluorescence, calculated Richardson number and current velocities (north-south, east-west, and vertical velocities) at 6 (3, 6, 9, 12, 18 and 24 m) depths, every 2 h over a 36- and 26-h sampling period, in St. George’s Bay, Nova Scotia, Canada. This fileset contains metadata, thesis and datasets. These data sets included lunar cycle, diel period, tidal state, date, time, sampling depth, sampling depth range, and more.
DOI: 10.6084/m9.figshare.1039415.v1
title: Patterns in the larval vertical distribution of marine benthic invertebrates in a shallow coastal embayment. A Canadian Healthy Oceans Network Population Connectivity project, PC-06

description: Processes during the meroplanktonic phase regulate population dynamics for many marine benthic invertebrates. I examined changes in vertical distribution of different meroplanktonic larvae in a coastal embayment during a stable period, at high temporal frequencies and spatial resolutions. Meroplanktonic invertebrate larvae (Margarites spp., Crepidula spp., Astyris lunata, Diaphana minuta, Littorinimorpha, Arrhoges occidentalis, lyanassa spp., Bittiolum alternatum, Nudibranchia, Gastropods, Bivalves, Bryozoans, Brachyurans, Polychaetes, Carideans, and Asteroids) were collected off boat at 6 depths (3, 6, 9, 12, 18, 24 m) using a pump, every 2-h over a 36- (6-7 Aug 2009) and a 25-h (12-13 Aug 2009) period, during a spring and neap tide, respectively, concurrently with measures of temperature, salinity, fluorescence and current velocity in St. George's Bay, NS, Canada. This dataset was collected in the field (using a plankton pump, CTD, fluorometer and ADCP) for an MSc Thesis and 2 publications. This contains the standardized abundance (count m-3) of meroplanktonic larvae (Margarites spp., Crepidula spp., Astyris lunata, Diaphana minuta, Littorinimorpha, Arrhoges occidentalis, lyanassa spp., Bittiolum alternatum, Nudibranchia, Gastropods, Bivalves, Bryozoans, Brachyurans, Polychaetes, Carideans, and Asteroids), temperature, salinity, density, fluorescence, calculated Richardson number and current velocities (north-south, east-west, and vertical velocities) at 6 (3, 6, 9, 12, 18 and 24 m) depths, every 2 h over a 36- and 26-h sampling period, in St. George’s Bay, Nova Scotia, Canada. This fileset contains metadata, thesis and datasets. These data sets included lunar cycle, diel period, tidal state, date, time, sampling depth, sampling depth range, and more.
DOI: 10.6084/m9.figshare.1039393
title: Introduction to Professional Networking for Career Development in Bioinformatics

description: Slides and a handout to introduce and lead an activity aimed at introducing scientists (it was delivered to a group of people interested in bioinformatics) to ways of thinking about professional networking, focused on helping them use it in their career development. The activity focuses on initiating contact with people you don't know at scientific meetings. The material was delivered at the 11th Heidelberg Unseminar in Bioinformatics Meeting in May 2014.
DOI: 10.6084/m9.figshare.1039392
title: Handout for activity on professional networking for bioinformaticans

description: Activity sheet for an activity on introducing professional networking for bioinformaticans as part of a Heidelberg Unsemianrs in Bioinformatics (HUB) meeting
DOI: 10.6084/m9.figshare.1039386
title: Peer Mentoring Activity Sheet and Presentation for Bioinformatics Careers

description: Slides and an activity sheet used at an Unseminar in Bioinformatics focused on career development for bioinformatics, used to present and lead an activity aimed at introducing the idea of peer mentoring groups to bring together and support each other in our career development.
DOI: 10.6084/m9.figshare.1039392.v1
title: Handout for activity on professional networking for bioinformaticans

description: Activity sheet for an activity on introducing professional networking for bioinformaticans as part of a Heidelberg Unsemianrs in Bioinformatics (HUB) meeting
DOI: 10.6084/m9.figshare.1039386.v1
title: Peer Mentoring Activity Sheet and Presentation for Bioinformatics Careers

description: Slides and an activity sheet used at an Unseminar in Bioinformatics focused on career development for bioinformatics, used to present and lead an activity aimed at introducing the idea of peer mentoring groups to bring together and support each other in our career development.
DOI: 10.6084/m9.figshare.1039383
title: Peer Mentoring for Career Development exercise handout

description: A handout used in a HUB (Heidelberg Unseminars in Bioinformatics) meeting focused on career development for bioinformaticians. It describes an activity for use to help introduce the idea of peer mentoring, potnetially acting as an opportunity to create peer-mentoring groups.
DOI: 10.6084/m9.figshare.1039383.v1
title: Peer Mentoring for Career Development exercise handout

description: A handout used in a HUB (Heidelberg Unseminars in Bioinformatics) meeting focused on career development for bioinformaticians. It describes an activity for use to help introduce the idea of peer mentoring, potnetially acting as an opportunity to create peer-mentoring groups.
DOI: 10.6084/m9.figshare.1038837
title: A high resolution gene expression map

description: This is Supplemnetary file 2 which contains Supplementary Tables 1 through 7, 11 and 12
DOI: 10.6084/m9.figshare.1038834
title: Generate Assembly Graph from Celera(R) Assembler

description: Short note for generating best edge overlap assembly graph from Celera(R) assembler.
DOI: 10.6084/m9.figshare.1038834.v1
title: Generate Assembly Graph from Celera(R) Assembler

description: Short note for generating best edge overlap assembly graph from Celera(R) assembler.
DOI: 10.6084/m9.figshare.1038837.v1
title: A high resolution gene expression map of Arabidopsis shoot meristem stem cell niche

description: The file contains Supplementary files 1 through 7, 11 and 12
DOI: 10.6084/m9.figshare.1038811
title: Taking Notes at the reference desk: Assessing and improving student learning - Raw Data

description: This data set contains the raw data used in a manuscript. These survey responses were collected as a part of a study assessing student learning during reference transactions. Data were collected before and after the introduction of a "Reference Notes" form to assist librarians and students during the transaction in order to test the usefulness of the "Reference Notes" form.
DOI: 10.6084/m9.figshare.1038819
title: Effects of Neutering in Labrador Retrievers and Golden Retrievers

description: Datasets used to study the effects of neutering (including spaying) in increasing the incidence of joint disorders and cancers in both Golden and Labrador Retrievers. Veterinary hospital records from the University of California, Davis were examined over a 13-year period for the effects of neutering during the specified age ranges: before 6 mo., and during 6-11 mo., during 1 year and in years 2 through 8. The diseases examined were hip dysplasia, CCL tear, elbow dysplasia, lymphosarcoma, mast cell tumor, hemangiosarcoma, mammary cancer, and pyometra. Body condition scores were recorded at the time of disease diagnosis.
DOI: 10.6084/m9.figshare.1038764
title: Mills, Goddings et al. 2014 Developmental Mismatch Original Figures and Tables

description: The original figures and tables for our project: The Developmental Mismatch in Structural Brain Maturation during Adolescence. CC BY-NC-SA
DOI: 10.6084/m9.figshare.1038811.v1
title: Taking Notes at the reference desk: Assessing and improving student learning - Raw Data

description: This data set contains the raw data used in a manuscript. These survey responses were collected as a part of a study assessing student learning during reference transactions. Data were collected before and after the introduction of a "Reference Notes" form to assist librarians and students during the transaction in order to test the usefulness of the "Reference Notes" form.
DOI: 10.6084/m9.figshare.1038819.v1
title: Effects of Neutering in Labrador Retrievers and Golden Retrievers

description: Datasets used to study the effects of neutering (including spaying) in increasing the incidence of joint disorders and cancers in both Golden and Labrador Retrievers. Veterinary hospital records from the University of California, Davis were examined over a 13-year period for the effects of neutering during the specified age ranges: before 6 mo., and during 6-11 mo., during 1 year and in years 2 through 8. The diseases examined were hip dysplasia, CCL tear, elbow dysplasia, lymphosarcoma, mast cell tumor, hemangiosarcoma, mammary cancer, and pyometra. Body condition scores were recorded at the time of disease diagnosis.
DOI: 10.6084/m9.figshare.1038539
title: Study of the effect of nickel heavy metals on some physiological parameters of <i>Catharanthus roseus</i>

description: Plants, in their life cycle, are usually exposed to various kinds of non-biological stresses including heavy metals. One of these heavy metals is nickel which affects many physiological processes of plants. Studies have shown that the changes in planting conditions can affect the qualitative and quantitative features of <i>Catharanthus roseus</i>; therefore, creating stressful conditions (e.g. NiCl<sub>2</sub>) can be an effective way to investigate the changes. In this research, we investigated the effect of 0, 2.5, 5, 10, 25 and 50 mM concentrations of NiCl<sub>2</sub> on the degree of catalase enzyme activity, amount of proline aggregation and photosynthetic parameters on seeds of pink variety <i>of C. roseus</i>. The results indicated that the degree of catalase enzyme activity and the amount of proline aggregation increased in plants which were exposed to NiCl<sub>2</sub> treatments, especially in high concentrations, while the total protein decreased. The stress of Ni also affected photosynthetic parameters, and decreased the amount of pigments, as well as the efficiency of photosystem II.
DOI: 10.6084/m9.figshare.1038539.v1
title: Study of the effect of nickel heavy metals on some physiological parameters of <i>Catharanthus roseus</i>

description: Plants, in their life cycle, are usually exposed to various kinds of non-biological stresses including heavy metals. One of these heavy metals is nickel which affects many physiological processes of plants. Studies have shown that the changes in planting conditions can affect the qualitative and quantitative features of <i>Catharanthus roseus</i>; therefore, creating stressful conditions (e.g. NiCl<sub>2</sub>) can be an effective way to investigate the changes. In this research, we investigated the effect of 0, 2.5, 5, 10, 25 and 50 mM concentrations of NiCl<sub>2</sub> on the degree of catalase enzyme activity, amount of proline aggregation and photosynthetic parameters on seeds of pink variety <i>of C. roseus</i>. The results indicated that the degree of catalase enzyme activity and the amount of proline aggregation increased in plants which were exposed to NiCl<sub>2</sub> treatments, especially in high concentrations, while the total protein decreased. The stress of Ni also affected photosynthetic parameters, and decreased the amount of pigments, as well as the efficiency of photosystem II.