cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc297h35
title: CCDC 2122356: Experimental Crystal Structure Determination

description: Related Article: P.K. Zhou, K.Y. Song, L.L. Zong, Z.C. Yang, H.H. Li, Z.R. Chen|2022|Materials Today Chemistry|25|100941|doi:10.1016/j.mtchem.2022.100941
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc297h46
title: CCDC 2122357: Experimental Crystal Structure Determination

description: Related Article: P.K. Zhou, K.Y. Song, L.L. Zong, Z.C. Yang, H.H. Li, Z.R. Chen|2022|Materials Today Chemistry|25|100941|doi:10.1016/j.mtchem.2022.100941
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc29ly0w
title: CCDC 2133358: Experimental Crystal Structure Determination

description: Related Article: Atash V. Gurbanov, Maxim L. Kuznetsov, Giuseppe Resnati, Kamran T. Mahmudov, Armando J. L. Pombeiro|2022|Cryst.Growth Des.|22|3932|doi:10.1021/acs.cgd.2c00322
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc29ly1x
title: CCDC 2133359: Experimental Crystal Structure Determination

description: Related Article: Atash V. Gurbanov, Maxim L. Kuznetsov, Giuseppe Resnati, Kamran T. Mahmudov, Armando J. L. Pombeiro|2022|Cryst.Growth Des.|22|3932|doi:10.1021/acs.cgd.2c00322
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc29ly2y
title: CCDC 2133360: Experimental Crystal Structure Determination

description: Related Article: Atash V. Gurbanov, Maxim L. Kuznetsov, Giuseppe Resnati, Kamran T. Mahmudov, Armando J. L. Pombeiro|2022|Cryst.Growth Des.|22|3932|doi:10.1021/acs.cgd.2c00322
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc29ly40
title: CCDC 2133362: Experimental Crystal Structure Determination

description: Related Article: Atash V. Gurbanov, Maxim L. Kuznetsov, Giuseppe Resnati, Kamran T. Mahmudov, Armando J. L. Pombeiro|2022|Cryst.Growth Des.|22|3932|doi:10.1021/acs.cgd.2c00322
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc29ly51
title: CCDC 2133363: Experimental Crystal Structure Determination

description: Related Article: Atash V. Gurbanov, Maxim L. Kuznetsov, Giuseppe Resnati, Kamran T. Mahmudov, Armando J. L. Pombeiro|2022|Cryst.Growth Des.|22|3932|doi:10.1021/acs.cgd.2c00322
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.6084/m9.figshare.1041834
title: Faculty Dataset for Nitrogen biogeochemistry of headwater catchments underlain by discontinuous permafrost lesson plan

description: Students work with a large dataset describing nitrogen<br>dynamics in the Caribou-Poker Creeks Research Watersheds,<br>small watersheds in the boreal forest that are underlain with<br>various extents of permafrost cover. Students use spreadsheet<br>and graphics software to investigate responses of N cycling to<br>permafrost, seasonal patterns, and inter-annual variation by 1)<br>making observations concerning long (inter-annual) and short-<br>term (seasonal) patterns in nutrient concentrations in streams, 2) hypothesizing about physical and biological conditions influencing nitrogen chemistry, and 3) testing predictions using graphical analyses. The first activity provides a guided approach to addressing a research question with the available data. Supplemental activities are inquiry-based and instructors can either specify analyses to perform or choose to allow students to gain experience with exploratory data analysis in more advanced courses.
DOI: 10.6084/m9.figshare.1041834.v1
title: Faculty Dataset for Nitrogen biogeochemistry of headwater catchments underlain by discontinuous permafrost lesson plan

description: Students work with a large dataset describing nitrogen<br>dynamics in the Caribou-Poker Creeks Research Watersheds,<br>small watersheds in the boreal forest that are underlain with<br>various extents of permafrost cover. Students use spreadsheet<br>and graphics software to investigate responses of N cycling to<br>permafrost, seasonal patterns, and inter-annual variation by 1)<br>making observations concerning long (inter-annual) and short-<br>term (seasonal) patterns in nutrient concentrations in streams, 2) hypothesizing about physical and biological conditions influencing nitrogen chemistry, and 3) testing predictions using graphical analyses. The first activity provides a guided approach to addressing a research question with the available data. Supplemental activities are inquiry-based and instructors can either specify analyses to perform or choose to allow students to gain experience with exploratory data analysis in more advanced courses.
DOI: 10.6084/m9.figshare.1041828
title: Tramm2014plosone.part03

description: part 3 of complete data set for Tramm et al., "Why do sleeping nematodes adopt a hockey-stick-like posture?"
DOI: 10.6084/m9.figshare.1041825
title: Tramm2014plosone.part02

description: part 2 of complete data set for Tramm et al., "Why do sleeping nematodes adopt a hockey-stick-like posture?"
DOI: 10.6084/m9.figshare.1041827
title: Tramm2014plosone.part04

description: part 4 of complete data set for Tramm et al., "Why do sleeping nematodes adopt a hockey-stick-like posture?"
DOI: 10.6084/m9.figshare.1041826
title: Tramm2014plosone.part05

description: part 5 of complete data set for Tramm et al., "Why do sleeping nematodes adopt a hockey-stick-like posture?"
DOI: 10.6084/m9.figshare.1041827.v1
title: Tramm2014plosone.part04

description: part 4 of complete data set for Tramm et al., "Why do sleeping nematodes adopt a hockey-stick-like posture?"
DOI: 10.6084/m9.figshare.1041824
title: Tramm2014plosone.part01

description: part 1 of complete data set for Tramm et al., "Why do sleeping nematodes adopt a hockey-stick-like posture?"
DOI: 10.6084/m9.figshare.1041824.v1
title: Tramm2014plosone.part01

description: part 1 of complete data set for Tramm et al., "Why do sleeping nematodes adopt a hockey-stick-like posture?"
DOI: 10.6084/m9.figshare.1041825.v1
title: Tramm2014plosone.part02

description: part 2 of complete data set for Tramm et al., "Why do sleeping nematodes adopt a hockey-stick-like posture?"
DOI: 10.6084/m9.figshare.1041828.v1
title: Tramm2014plosone.part03

description: part 3 of complete data set for Tramm et al., "Why do sleeping nematodes adopt a hockey-stick-like posture?"
DOI: 10.6084/m9.figshare.1041820
title: Raw data for Walters et al, 2014, PLOS ONE

description: Raw data files for Walters et al, 2014, PLOS ONE.
DOI: 10.6084/m9.figshare.1041798
title: IDH1 fid files

description: “Glioma cells with the IDH1 mutation increase metabolic fractional flux through pyruvate carboxylase” NMR files
DOI: 10.6084/m9.figshare.1041796
title: Characterisation of a high Reynolds number boundary layer subject to pressure gradient and separation

description: The flow over a ramp model is characterised in detail in the present study. In the selected configuration, a turbulent boundary layer developed on a flat plate is first accelerated in a curved contraction. It is then submitted to a mild adverse pressure gradient on a flat plate followed by a separation above a flap. Inlet boundary conditions and pressure distribution are provided to allow numerical simulations. The flow in the mild adverse pressure gradient region is characterised with hot-wire anemometry. In this region, the boundary layer thickness is of the order of 20 cm, the momentum Reynolds number is about 11,000 and the Clauser pressure gradient parameter β in the stabilised region is about 0.4. Particular emphasis is laid on the separation to provide quantitative information to evaluate turbulence models. This is achieved through a large streamwise two-dimensional two-component particle image velocimetry (2D2C PIV) plane which contains all the separation bubble and part of the flow upstream and downstream of it. The separation border is detected using the backflow coefficient, resulting in a separation length of about 3.49 <i>H</i><sub><i>s</i></sub> (with <i>H</i><sub><i>s</i></sub> the flap step height) and a maximum height of about 0.17 <i>H</i><sub><i>s</i></sub>. The Reynolds stresses and their main production terms are also determined. A region of high turbulence intensity develops above the separation border for all the measured components. The production of dominates the production of turbulent kinetic energy which implies a redistribution from to to explain the increase observed. The production term drives the production of in the first part of the flap which is not the case for zero pressure gradient boundary layers. Finally, a high similarity is observed between and as the production of the latter is dominated by . This flow appears as a challenging test case for Reynolds averaged Navier–Stokes (RANS) and large eddy simulation (LES) validation.
DOI: 10.6084/m9.figshare.1041820.v1
title: Raw data for Walters et al, 2014, PLOS ONE

description: Raw data files for Walters et al, 2014, PLOS ONE.
DOI: 10.6084/m9.figshare.1041798.v1
title: IDH1 fid files

description: “Glioma cells with the IDH1 mutation increase metabolic fractional flux through pyruvate carboxylase” NMR files
DOI: 10.6084/m9.figshare.1041796.v1
title: Characterisation of a high Reynolds number boundary layer subject to pressure gradient and separation

description: The flow over a ramp model is characterised in detail in the present study. In the selected configuration, a turbulent boundary layer developed on a flat plate is first accelerated in a curved contraction. It is then submitted to a mild adverse pressure gradient on a flat plate followed by a separation above a flap. Inlet boundary conditions and pressure distribution are provided to allow numerical simulations. The flow in the mild adverse pressure gradient region is characterised with hot-wire anemometry. In this region, the boundary layer thickness is of the order of 20 cm, the momentum Reynolds number is about 11,000 and the Clauser pressure gradient parameter β in the stabilised region is about 0.4. Particular emphasis is laid on the separation to provide quantitative information to evaluate turbulence models. This is achieved through a large streamwise two-dimensional two-component particle image velocimetry (2D2C PIV) plane which contains all the separation bubble and part of the flow upstream and downstream of it. The separation border is detected using the backflow coefficient, resulting in a separation length of about 3.49 <i>H</i><sub><i>s</i></sub> (with <i>H</i><sub><i>s</i></sub> the flap step height) and a maximum height of about 0.17 <i>H</i><sub><i>s</i></sub>. The Reynolds stresses and their main production terms are also determined. A region of high turbulence intensity develops above the separation border for all the measured components. The production of dominates the production of turbulent kinetic energy which implies a redistribution from to to explain the increase observed. The production term drives the production of in the first part of the flap which is not the case for zero pressure gradient boundary layers. Finally, a high similarity is observed between and as the production of the latter is dominated by . This flow appears as a challenging test case for Reynolds averaged Navier–Stokes (RANS) and large eddy simulation (LES) validation.
DOI: 10.6084/m9.figshare.1041744
title: Kinematics of Pediatric Crash Dummies Seated on Vehicle Seats with Realistic Belt Geometry

description: <b>Objective:</b> A series of sled tests was performed using vehicle seats and Hybrid-III 6-year-old (6YO) and 10YO anthropomorphic test devices (ATDs) to explore possibilities for improving occupant protection for children who are not using belt-positioning booster seats.<b>Methods:</b> Cushion length was varied from production length of 450 mm to a shorter length of 350 mm. Lap belt geometry was set to rear, mid, and forward anchorage locations that span the range of lap belt angles found in vehicles. Six tests each were performed with the 6YO and 10YO Hybrid III ATDs. One additional test was performed using a booster seat with the 6YO. The ATDs were positioned using an updated version of the University of Michigan Transportation Research Institute (UMTRI) seating procedure that positions the ATD hips further forward with longer seat cushions to reflect the effect of cushion length on posture that has been measured with child volunteers. ATD kinematics were evaluated using peak head excursion, peak knee excursion, the difference between peak head and peak knee excursion, and the maximum torso angle.<b>Results:</b> Shortening the seat cushion improved kinematic outcomes, particularly for the 10YO. Lap belt geometry had a greater effect on kinematics with the longer cushion length, with mid or forward belt geometries producing better kinematics than the rearward belt geometry. The worst kinematics for both ATDs occurred with the long cushion length and rearward lap belt geometry. The improvements in kinematics from shorter cushion length or more forward belt geometry are smaller than those provided by a booster seat.<b>Conclusions:</b> The results show potential benefits in occupant protection from shortening cushion length and increasing lap belt angles, particularly for children the size of the 10YO ATD.
DOI: 10.6084/m9.figshare.1041744.v1
title: Kinematics of Pediatric Crash Dummies Seated on Vehicle Seats With Realistic Belt Geometry

description: ABSTRACTObjectiveA series of sled tests was performed using vehicle seats and Hybrid-III 6-year-old (6YO) and 10YO anthropomorphic test devices (ATDs) to explore possibilities for improving occupant protection for children who are not using belt-positioning booster seats.MethodsCushion length was varied from production length of 450 mm to a shorter length of 350 mm. Lap belt geometry was set to rear, mid, and forward anchorage locations that span the range of lap belt angles found in vehicles. Six tests each were performed with the 6YO and 10YO Hybrid III ATDs. One additional test was performed using a booster seat with the 6YO. The ATDs were positioned using an updated version of the University of Michigan Transportation Research Institute (UMTRI) seating procedure that positions the ATD hips further forward with longer seat cushions to reflect the effect of cushion length on posture that has been measured with child volunteers. ATD kinematics were evaluated using peak head excursion, peak knee excursion, the difference between peak head and peak knee excursion, and the maximum torso angle.ResultsShortening the seat cushion improved kinematic outcomes, particularly for the 10YO. Lap belt geometry had a greater effect on kinematics with the longer cushion length, with mid or forward belt geometries producing better kinematics than the rearward belt geometry. The worst kinematics for both ATDs occurred with the long cushion length and rearward lap belt geometry. The improvements in kinematics from shorter cushion length or more forward belt geometry are smaller than those provided by a booster seat.ConclusionsThe results show potential benefits in occupant protection from shortening cushion length and increasing lap belt angles, particularly for children the size of the 10YO ATD.
DOI: 10.6084/m9.figshare.1041731
title: The Connected Past London 2014

description: A collection of material associated with The Connected Past London 2014, a one and a half day multi-disciplinary meeting held at Imperial College on the 8th and 9th of September, 2014 and attended by nearly fifty researchers. It aims to explore how concepts and techniques from network- and complexity science can be used to study archaeological and historical data. It is part of a series of meetings organised by The Connected Past team. Slides from most (but not all) talks are provided. Most talks were also recorded but the videos are yet to be made available.
DOI: 10.6084/m9.figshare.1041744.v3
title: Kinematics of Pediatric Crash Dummies Seated on Vehicle Seats with Realistic Belt Geometry

description: <b>Objective:</b> A series of sled tests was performed using vehicle seats and Hybrid-III 6-year-old (6YO) and 10YO anthropomorphic test devices (ATDs) to explore possibilities for improving occupant protection for children who are not using belt-positioning booster seats.<b>Methods:</b> Cushion length was varied from production length of 450 mm to a shorter length of 350 mm. Lap belt geometry was set to rear, mid, and forward anchorage locations that span the range of lap belt angles found in vehicles. Six tests each were performed with the 6YO and 10YO Hybrid III ATDs. One additional test was performed using a booster seat with the 6YO. The ATDs were positioned using an updated version of the University of Michigan Transportation Research Institute (UMTRI) seating procedure that positions the ATD hips further forward with longer seat cushions to reflect the effect of cushion length on posture that has been measured with child volunteers. ATD kinematics were evaluated using peak head excursion, peak knee excursion, the difference between peak head and peak knee excursion, and the maximum torso angle.<b>Results:</b> Shortening the seat cushion improved kinematic outcomes, particularly for the 10YO. Lap belt geometry had a greater effect on kinematics with the longer cushion length, with mid or forward belt geometries producing better kinematics than the rearward belt geometry. The worst kinematics for both ATDs occurred with the long cushion length and rearward lap belt geometry. The improvements in kinematics from shorter cushion length or more forward belt geometry are smaller than those provided by a booster seat.<b>Conclusions:</b> The results show potential benefits in occupant protection from shortening cushion length and increasing lap belt angles, particularly for children the size of the 10YO ATD.
DOI: 10.6084/m9.figshare.1041744.v2
title: Kinematics of Pediatric Crash Dummies Seated on Vehicle Seats with Realistic Belt Geometry

description: <b>Objective:</b> A series of sled tests was performed using vehicle seats and Hybrid-III 6-year-old (6YO) and 10YO anthropomorphic test devices (ATDs) to explore possibilities for improving occupant protection for children who are not using belt-positioning booster seats.<b>Methods:</b> Cushion length was varied from production length of 450 mm to a shorter length of 350 mm. Lap belt geometry was set to rear, mid, and forward anchorage locations that span the range of lap belt angles found in vehicles. Six tests each were performed with the 6YO and 10YO Hybrid III ATDs. One additional test was performed using a booster seat with the 6YO. The ATDs were positioned using an updated version of the University of Michigan Transportation Research Institute (UMTRI) seating procedure that positions the ATD hips further forward with longer seat cushions to reflect the effect of cushion length on posture that has been measured with child volunteers. ATD kinematics were evaluated using peak head excursion, peak knee excursion, the difference between peak head and peak knee excursion, and the maximum torso angle.<b>Results:</b> Shortening the seat cushion improved kinematic outcomes, particularly for the 10YO. Lap belt geometry had a greater effect on kinematics with the longer cushion length, with mid or forward belt geometries producing better kinematics than the rearward belt geometry. The worst kinematics for both ATDs occurred with the long cushion length and rearward lap belt geometry. The improvements in kinematics from shorter cushion length or more forward belt geometry are smaller than those provided by a booster seat.<b>Conclusions:</b> The results show potential benefits in occupant protection from shortening cushion length and increasing lap belt angles, particularly for children the size of the 10YO ATD.
DOI: 10.6084/m9.figshare.1041615
title: Multiplexing spheroid volume, resazurin and acid phosphatase viability assays for high-throughput screening of tumour spheroids and stem cell neurospheres

description: Three-dimensional cell culture has many advantages over monolayer cultures, and spheroids have been hailed as the best current representation of small avascular tumours in vitro. However their adoption in regular screening programs has been hindered by uneven culture growth, poor reproducibility and lack of high-throughput analysis methods for 3D. The objective of this study was to develop a method for a quick and reliable anticancer drug screen in 3D for tumour and human foetal brain tissue in order to investigate drug effectiveness and selective cytotoxic effects. Commercially available ultra-low attachment 96-well round-bottom plates were employed to culture spheroids in a rapid, reproducible manner amenable to automation. A set of three mechanistically different methods for spheroid health assessment (Spheroid volume, metabolic activity and acid phosphatase enzyme activity) were validated against cell numbers in healthy and drug-treated spheroids. An automated open-source ImageJ macro was developed to enable high-throughput volume measurements. Although spheroid volume determination was superior to the other assays, multiplexing it with resazurin reduction and phosphatase activity produced a richer picture of spheroid condition. The ability to distinguish between effects on malignant and the proliferating component of normal brain was tested using etoposide on UW228-3 medulloblastoma cell line and human neural stem cells. At levels below 10µM etoposide exhibited higher toxicity towards proliferating stem cells, whereas at concentrations above 10µM the tumour spheroids were affected to a greater extent. The high-throughput assay procedures use ready-made plates, open-source software and are compatible with standard plate readers, therefore offering high predictive power with substantial savings in time and money.