cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1phf6t
title: CCDC 1563956: Experimental Crystal Structure Determination

description: Related Article: Francisco Escobedo-Cruz, Scott Dempsey, Timothy Hughbanks|2018|CSD Communication|||
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.cc1zl793
title: CCDC 1834775: Experimental Crystal Structure Determination

description: Related Article: Angela Bell-Taylor, John D. Gorden, Emily E. Hardy, Christian R. Goldsmith|2018|Inorg.Chim.Acta|482|206|doi:10.1016/j.ica.2018.06.012
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.cc1zl7b4
title: CCDC 1834776: Experimental Crystal Structure Determination

description: Related Article: Angela Bell-Taylor, John D. Gorden, Emily E. Hardy, Christian R. Goldsmith|2018|Inorg.Chim.Acta|482|206|doi:10.1016/j.ica.2018.06.012
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: 10.7910/dvn/ckeetz
title: Replication Data for: Tracking Health Seeking Behavior During an Ebola Outbreak via Mobile Phones and SMS
DOI: 10.13135/ela-205
title: Honours for Amphis of Andros
DOI: 10.17632/346wmxpy5w.1
title: Data for: Real-time analysis of microbial growth by means of the Heat-Transfer Method (HTM) using Saccharomyces cerevisiae as model organism

description: See Excel file.
DOI: 10.17632/gx3n6jtk45.1
title: Data for: Metabolomic analysis of indolepyruvate decarboxylase pathway derivatives in the rhizobacterium Enterobacter cloacae

description: Analysis and identification of indolepyruvate decarboxylase-dependent metabolites in Enterobacter cloacae
DOI: 10.5281/zenodo.1291374
title: Simulated Paired-End Reads For "Swimming Downstream" Workflow (1)

description: Simulated paired-end reads for "Swimming downstream" workflow
DOI: 10.5281/zenodo.1291375
title: Simulated Paired-End Reads For "Swimming Downstream" Workflow (1)

description: Simulated paired-end reads for "Swimming downstream" workflow
DOI: 10.5281/zenodo.1291403
title: Simulated Paired-End Reads For "Swimming Downstream" Workflow (2)

description: Simulated paired-end reads for "Swimming downstream" workflow
DOI: 10.5281/zenodo.1291404
title: Simulated Paired-End Reads For "Swimming Downstream" Workflow (2)

description: Simulated paired-end reads for "Swimming downstream" workflow
DOI: 10.5517/ccdc.csd.cc1zlqr1
title: CCDC 1835254: Experimental Crystal Structure Determination

description: Related Article: Sébastien Dhers, Abhishake Mondal, David Aguilà, Juan Ramirez, Sergi Vela, Pierre Dechambenoit, Mathieu Rouzieres, Jonathan R. Nitschke, Rodolphe Clérac, Jean-Marie Lehn|2018|J.Am.Chem.Soc.|140|8218|doi:10.1021/jacs.8b03735
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.cc1zlqs2
title: CCDC 1835255: Experimental Crystal Structure Determination

description: Related Article: Sébastien Dhers, Abhishake Mondal, David Aguilà, Juan Ramirez, Sergi Vela, Pierre Dechambenoit, Mathieu Rouzieres, Jonathan R. Nitschke, Rodolphe Clérac, Jean-Marie Lehn|2018|J.Am.Chem.Soc.|140|8218|doi:10.1021/jacs.8b03735
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.cc1zm3c2
title: CCDC 1835614: Experimental Crystal Structure Determination

description: Related Article: Vidyasagar Maurya, Chandrakumar Appayee|2018|Org.Lett.|20|4111|doi:10.1021/acs.orglett.8b01667
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: 10.17632/jm7yfk3pvd.1
title: Excel workbook with Visual Basic script for WDR calculation

description: Excel sheet with embedded VBA for calculating variabel Driving Rain Factor (DRF) based on rain intensity
DOI: 10.17632/stv5y5cncy.1
title: Additional graphs from experiment at The Technical University of Denmark. Dataset for paper: “Influence of hydrophobation and deliberate thermal bridge on hygrothermal conditions of internally insulated historic solid masonry walls with built-in wood”

description: Additional graphs and RH/T data in .csv format for all combinations of walls and measurement points
DOI: 10.5281/zenodo.1291442
title: Simulated Paired-End Reads For "Swimming Downstream" Workflow (3)

description: Simulated paired-end reads for "Swimming downstream" workflow
DOI: 10.5281/zenodo.1291443
title: Simulated Paired-End Reads For "Swimming Downstream" Workflow (3)

description: Simulated paired-end reads for "Swimming downstream" workflow
DOI: 10.5281/zenodo.1291521
title: Simulated Quantification Files For "Swimming Downstream" Workflow

description: Simulated quantification files for "Swimming downstream" workflow
DOI: 10.5281/zenodo.1293892
title: The Process Of Hdac11 Assay Development: Buffer Optimization Again

description: The pH range used earlier was expanded for further optimization to check if the activity could improve.

 

<strong>Note: </strong>1. In the assay buffer, BSA conc. is 0.5 mg/ml (instead of 0.5%).

          2. In the 7.5 ul developer solution, 40 uM of TSA (Trichostatin A) is also included.
description: The SGC is a registered charity (number 1097737) that receives funds from AbbVie, Bayer Pharma AG, Boehringer Ingelheim, Canada Foundation for Innovation, Eshelman Institute for Innovation, Genome Canada through Ontario Genomics Institute [OGI-055], Innovative Medicines Initiative (EU/EFPIA) [ULTRA-DD grant no. 115766], Janssen, Merck KGaA, Darmstadt, Germany, MSD, Novartis Pharma AG, Ontario Ministry of Research, Innovation and Science (MRIS), Pfizer, São Paulo Research Foundation-FAPESP, Takeda, and Wellcome.
DOI: 10.5281/zenodo.1293893
title: The Process Of Hdac11 Assay Development: Buffer Optimization Again

description: The pH range used earlier was expanded for further optimization to check if the activity could improve.

 

<strong>Note: </strong>1. In the assay buffer, BSA conc. is 0.5 mg/ml (instead of 0.5%).

          2. In the 7.5 ul developer solution, 40 uM of TSA (Trichostatin A) is also included.
description: The SGC is a registered charity (number 1097737) that receives funds from AbbVie, Bayer Pharma AG, Boehringer Ingelheim, Canada Foundation for Innovation, Eshelman Institute for Innovation, Genome Canada through Ontario Genomics Institute [OGI-055], Innovative Medicines Initiative (EU/EFPIA) [ULTRA-DD grant no. 115766], Janssen, Merck KGaA, Darmstadt, Germany, MSD, Novartis Pharma AG, Ontario Ministry of Research, Innovation and Science (MRIS), Pfizer, São Paulo Research Foundation-FAPESP, Takeda, and Wellcome.
DOI: 10.5281/zenodo.1293578
title: Example Dataset For 18S Rrna Microbial Community Analysis

description: Original, trimmed (sequencing primers removed) and trimmed+subsampled reads for the Study Group lesson on Microbial Ecology.
DOI: 10.5281/zenodo.1293579
title: Example Dataset For 18S Rrna Microbial Community Analysis

description: Dataset for the Microbial Ecology
DOI: 10.17632/gpp96dbmrw.1
title: Data for: A Study of Cheating Beliefs, Engagement, and Perception - The Case of Business and Engineering Students
DOI: 10.4225/08/5b29bfe6bf26e
title: Parkes observations for project P456 semester 2018APRS_05

description: The Parkes Pulsar Timing Array (PPTA) project has three primary goals: (a) detection of gravitational waves from astronomical sources, (b) establishment of a pulsar timescale, and (c) improvement of our understanding of Solar-system dynamics. The PPTA is the oldest of three international pulsar timing groups. We have the smallest telescope and the smallest group, but the best measurements and the best results. Our bound on the strength of the incoherent gravitational wave background is the only bound which significantly constrains theoretical models. We have maintained our leading position because: we have the southern sky; we have a small but well-focussed group; we have the best-calibrated receivers; and we have been able to observe with an almost regular cadence of 15 to 20 days at three different wavelengths. With this proposal we aim to maintain our pre-eminent position in the field.

Unlike most observing proposals, this is a continuing proposal for which the observations will continue to improve bounds on ultra-low-frequency gravitational waves until they are finally detected. Continued Parkes observations will remain valuable at least until the first stage of the SKA is able to improve on our sensitivity and observing cadence. Even after the gravitational wave background is detected we will want to continue observations in support of the nascent field of gravitational wave astronomy!
DOI: 10.4225/08/5b29c024823fc
title: Parkes pulsar observations with undefined project IDs for 2018_05

description: Parkes pulsar observations with undefined project IDs for 2018 from project ID PX500
DOI: 10.5281/zenodo.1293852
title: Opls-Ua Pope Simulations (Versions 1 And 2) 303 K With Vdw On H Atoms

description: Two OPLS-UA POPE bilayer simulations performed using GROMACS 4.5.7 for 200 ns with different starting velocities. Simulations were performed with a 1.0 nm cut-off with PME for the Coulombic and a 1.0 nm cut-off for the van der Waals interactions interactions. These simulations were performed at 303 K with a 128 lipid bilayer. The full trajectories are provided bar the initial 100 ns. The starting structure was made through the conversion of an equilibrated OPLS-UA POPC membrane. The PE parameters were constructed by modifying the OPLS-UA POPC of Ulmschneider and Ulmschnider with the standard OPLS lysine parameters and the addition of LJ parameters on the hydrogen atoms in the head group (designed to increase the area per lipid).
DOI: 10.5281/zenodo.1293853
title: Opls-Ua Pope Simulations (Versions 1 And 2) 303 K With Vdw On H Atoms

description: Two OPLS-UA POPE bilayer simulations performed using GROMACS 4.5.7 for 200 ns with different starting velocities. Simulations were performed with a 1.0 nm cut-off with PME for the Coulombic and a 1.0 nm cut-off for the van der Waals interactions interactions. These simulations were performed at 303 K with a 128 lipid bilayer. The full trajectories are provided bar the initial 100 ns. The starting structure was made through the conversion of an equilibrated OPLS-UA POPC membrane. The PE parameters were constructed by modifying the OPLS-UA POPC of Ulmschneider and Ulmschnider with the standard OPLS lysine parameters and the addition of LJ parameters on the hydrogen atoms in the head group (designed to increase the area per lipid).
DOI: 10.5517/ccdc.csd.cc1znj6c
title: CCDC 1836973: Experimental Crystal Structure Determination

description: Related Article: Marta Sánchez-Sala, Josefina Pons, Angel Alvarez-Larena, Laura Bayés-García, Mercè Font-Bardía, José A. Ayllón|2018|Polyhedron|151|545|doi:10.1016/j.poly.2018.06.015
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.cc1znj7d
title: CCDC 1836974: Experimental Crystal Structure Determination

description: Related Article: Marta Sánchez-Sala, Josefina Pons, Angel Alvarez-Larena, Laura Bayés-García, Mercè Font-Bardía, José A. Ayllón|2018|Polyhedron|151|545|doi:10.1016/j.poly.2018.06.015
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.cc1znj8f
title: CCDC 1836975: Experimental Crystal Structure Determination

description: Related Article: Marta Sánchez-Sala, Josefina Pons, Angel Alvarez-Larena, Laura Bayés-García, Mercè Font-Bardía, José A. Ayllón|2018|Polyhedron|151|545|doi:10.1016/j.poly.2018.06.015
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.cc1znj9g
title: CCDC 1836976: Experimental Crystal Structure Determination

description: Related Article: Marta Sánchez-Sala, Josefina Pons, Angel Alvarez-Larena, Laura Bayés-García, Mercè Font-Bardía, José A. Ayllón|2018|Polyhedron|151|545|doi:10.1016/j.poly.2018.06.015
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.cc1znjbh
title: CCDC 1836977: Experimental Crystal Structure Determination

description: Related Article: Marta Sánchez-Sala, Josefina Pons, Angel Alvarez-Larena, Laura Bayés-García, Mercè Font-Bardía, José A. Ayllón|2018|Polyhedron|151|545|doi:10.1016/j.poly.2018.06.015
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: 10.17034/3d059872-5663-4867-a122-2bc5f3bd52c0
title: Operational Markov condition for quantum processes

description: Data underpinning publication in Pollock, F., Rodriguez-Rosario, C., Frauenheim, T., Paternostro, M., Modi, K., 2018, 'Operational Markov condition for quantum processes' Physical Review Letters, Volume 120, Issue 4.
DOI: 10.17632/ssf48679d8.1
title: An Agent – Based Model Simulation of Negotiation and Cooperation in Organizations

description: These data sets were generated from an agent-based simulation of negotiation. The first data set corresponds to simulating negotiation and cooperation under different workloads, while the second data set is the output of simulating gender differences in negotiation.
DOI: 10.5517/ccdc.csd.cc1yx3sr
title: CCDC 1814485: Experimental Crystal Structure Determination

description: Related Article: Simon Muche, Klaus Harms, Anna Biernasiuk, Anna Malm, Łukasz Popiołek, Anna Hordyjewska, Anna Olszewska, Małgorzata Hołyńska|2018|Polyhedron|151|465|doi:10.1016/j.poly.2018.05.056
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.cc1zy2nn
title: CCDC 1845202: Experimental Crystal Structure Determination

description: Related Article: Carles Fuertes-Espinosa, Alejandra Gómez-Torres, Roser Morales-Martínez, Antonio Rodríguez-Fortea, Cristina García-Simón, Felipe Gándara, Inhar Imaz, Judith Juanhuix, Daniel Maspoch, Josep M. Poblet, Luis Echegoyen, and Xavi Ribas|2018|Angew.Chem.,Int.Ed.|57|11294|doi:10.1002/anie.201806140
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: 10.17632/9ht9hsxvv3.1
title: A temper treatment of surfacing layer

description: The temper treatment was used to improve mechanical properties of the graded surfacing layer. It is based on describing the strength contributions of microstructural evolution with tempering at 350, 450, 550 and 650℃ for 2 h. It is shown that the microhardness, impact toughness and wear resistance of the surfacing layer with fine and uniform microstructure developed to a relatively high standard after tempering at 450℃. In this case, mechanical properties of H13 substrate were improved significantly. A parametric analysis is performed suggesting possible scenarios for the improvement of mechanical properties.
DOI: 10.17632/nbyhzjgckc.1
title: Data for: Boron-doped Graphene for Electrocatalytic N2 Reduction

description: Characterization and electrocatalytic activity of the boron doped-graphene
DOI: 10.5517/ccdc.csd.cc200s83
title: CCDC 1847794: Experimental Crystal Structure Determination

description: Related Article: B.E. Conn, B. Bhattarai, A. Atnagulov, B. Yoon, U. Landman, T.P. Bigioni|2018|Acta Crystallogr.,Sect.E:Cryst.Commun.|74|987|doi:10.1107/S2056989018008393
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: 10.17632/4xm5snnr2t.1
title: Microstructure and mechanical properties of Ni foam/stainless steel joint brazed with Ni-based alloy.

description: Ni foam/SS 304 for an advanced heat exchanger was successfully brazed at 1030–1090 °C for 0–60 min using MBF 20 filler metal in a high-vacuum furnace. The mechanical properties and microstructural evolution were investigated in this study.
DOI: 10.5281/zenodo.1292825
title: Roms-Turbine-Netcdf

description: Modification to ROMS src for the inclusion of tidal energy extraction
description: This research is supported by SEACAMS2 which is part-funded by the European Regional Development Fund and focuses on the convergence region of Wales. This particular research project is a follow on from a Fujitsu and HPC Wales (now Supercomputing Wales) funded PhD research project supervised by Dr Simon Neill, Bangor University. 

The tidal array representation method implemented in this modeling tool is based on a tidal turbine parameterisation method, accounting for the momentum capture for each individual device/array. This method is based upon the research described by Roc et al. 2013 & 2014. 
Each turbine behaviour is tuned via the drag coefficient, namely Ct, respectively relating to the thrust coefficient.
This tidal array representation method has been implemented as a smeared drag-force at across user-defined depth layers within a large-scale ocean circulation modeling system that is the Regional Ocean Modeling System, ROMS. 
ROMS is an open-source 3-D model which solves the hydrostatic Navier-Stokes equations using a Boussinesq approximation on a structured horizontal grid with terrain following sigma layers[3].  

Note that ROMS/TOMS version 3.7 - revision 898, is used in the current distribution of ROMS-Tidal Array.


The turbine representation module is applied using the following files:

roms_src/ROMS/External/varinfo.dat
roms_src/ROMS/Include/cppdefs.h
roms_src/ROMS/Nonlinear/initial.F
roms_src/ROMS/Nonlinear/rhs3d.F
roms_src/ROMS/Utility/def_info.F
roms_src/ROMS/Utility/checkdefs.F
roms_src/ROMS/Utility/wrt_info.F
roms_src/ROMS/Utility/read_phypar.F
roms_src/ROMS/Modules/mod_ncparam.F
roms_src/ROMS/Modules/mod_iounits.F
roms_src/ROMS/Modules/mod_arrays.F
roms_src/ROMS/Modules/mod_trb.F
DOI: 10.5281/zenodo.1292826
title: Roms-Turbine-Netcdf

description: Modification to ROMS src for the inclusion of tidal energy extraction
description: This research is supported by SEACAMS2 which is part-funded by the European Regional Development Fund and focuses on the convergence region of Wales. This particular research project is a follow on from a Fujitsu and HPC Wales (now Supercomputing Wales) funded PhD research project supervised by Dr Simon Neill, Bangor University. 

The tidal array representation method implemented in this modeling tool is based on a tidal turbine parameterisation method, accounting for the momentum capture for each individual device/array. This method is based upon the research described by Roc et al. 2013 & 2014. 
Each turbine behaviour is tuned via the drag coefficient, namely Ct, respectively relating to the thrust coefficient.
This tidal array representation method has been implemented as a smeared drag-force at across user-defined depth layers within a large-scale ocean circulation modeling system that is the Regional Ocean Modeling System, ROMS. 
ROMS is an open-source 3-D model which solves the hydrostatic Navier-Stokes equations using a Boussinesq approximation on a structured horizontal grid with terrain following sigma layers[3].  

Note that ROMS/TOMS version 3.7 - revision 898, is used in the current distribution of ROMS-Tidal Array.


The turbine representation module is applied using the following files:

roms_src/ROMS/External/varinfo.dat
roms_src/ROMS/Include/cppdefs.h
roms_src/ROMS/Nonlinear/initial.F
roms_src/ROMS/Nonlinear/rhs3d.F
roms_src/ROMS/Utility/def_info.F
roms_src/ROMS/Utility/checkdefs.F
roms_src/ROMS/Utility/wrt_info.F
roms_src/ROMS/Utility/read_phypar.F
roms_src/ROMS/Modules/mod_ncparam.F
roms_src/ROMS/Modules/mod_iounits.F
roms_src/ROMS/Modules/mod_arrays.F
roms_src/ROMS/Modules/mod_trb.F
DOI: 10.5517/ccdc.csd.cc1q75x1
title: CCDC 1585833: Experimental Crystal Structure Determination

description: Related Article: N.Yu. Serov, V.G. Shtyrlin, D.R. Islamov, O.N. Kataeva, D.B. Krivolapov|2018|Acta Crystallogr.,Sect.E:Cryst.Commun.|74|981|doi:10.1107/S2056989018008538
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.