cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5287/bodleian:vjxdmn0d5
title: NANOG and NANOGNB protein alignments
DOI: 10.1285/i11211156a30n1p199
title: Colophon e pagine iniziali
DOI: 10.5281/zenodo.259335
title: Popc With Varying Amounts Of Cholesterol, 130 Mm Of Nacl. Slipids With Ions By Smith & Dang

description: Simulations of a POPC bilayer with varying amounts (0, 10, 20, and 30 mol-%) of cholesterol and 130 mM of NaCl performed at 310 K. The POPC bilayer consists of 200 lipids (100 per leaflet) and on top of that there is 0 (0%), 22 (10%), 50 (20%), or 86 (30%) of cholesterol. Additionally, simulations with 0% cholesterol are repeated at 330 K, 350 K, and 370 K. The Slipids model [1–3] is employed for lipids, tip3p model for water, and the ion parameters by Smith and Dang [4] for NaCl. The Slipids force field parameters are available at http://www.fos.su.se/~sasha/SLipids/ and the ion parameters are available at https://bitbucket.org/hseara/ions/

––––––––––––––––––––––––––––––––––––––––––––––––––––––

The files are in GROMACS format and named based on the amount of cholesterol present (in %) in the corresponding simulation. Trajectories (.xtc) are 200 ns long with data saved every 100 ps. Additionally, the final structure (.gro), topology (.top), index file (.ndx), energy output file (.edr), and binary run input files (for Gromacs 4.6-&gt;) (.tpr) are provided for each system. The common simulation parameter file can be downloaded from another entry at https://doi.org/10.5281/zenodo.259341.

––––––––––––––––––––––––––––––––––––––––––––––––––––––

[1] Derivation and Systematic Validation of a Refined All-Atom Force Field for Phosphatidylcholine Lipids. Joakim P. M. Jämbeck and Alexander P. Lyubartsev, The Journal of Physical Chemistry B 2012 116 (10), 3164-3179, DOI: 10.1021/jp212503e

[2] An Extension and Further Validation of an All-Atomistic Force Field for Biological Membranes. Joakim P. M. Jämbeck and Alexander P. Lyubartsev, Journal of Chemical Theory and Computation 2012 8 (8), 2938-2948, DOI: 10.1021/ct300342n

[3] Another Piece of the Membrane Puzzle: Extending Slipids Further. Joakim P. M. Jämbeck and Alexander P. Lyubartsev, Journal of Chemical Theory and Computation 2013 9 (1), 774-784, DOI: 10.1021/ct300777p

[4] Computer simulations of NaCl association in polarizable water. David E. Smith and Liem X. Dang, The Journal of Chemical Physics 1994 100, 3757-3766, DOI: 10.1063/1.466363
DOI: 10.5258/soton/397944
title: Resistive switching of Pt/TiOx/Pt devices fabricated on flexible Parylene-C substrates

description: Pt/TiOx/Pt resistive switching (RS) devices are considered to be amongst the best candidates for post-flash non-volatile memory (NVM) and the technology transfer to flexible substrates could open the way to new opportunities for flexible memory implementations. Hence, an important goal is to achieve a fully flexible resistive random access memory (RRAM) technology. Nonetheless, several fabrication challenges are present and must be solved prior to achieving reliable device fabrication and good electronic performances. Here, we propose a fabrication method for the successful transfer of Pt/TiOx/Pt stack onto flexible Parylene-C substrates. The devices were electrically characterized, exhibiting both digital and analog memory characteristics, which are obtained by proper adjustment of pulsing schemes during tests. This approach could open new application possibilities of these devices in implantable sensors and bio-compatible neural interfaces. 
Data for the paper by of the same name published in 
Nanotechnology, Volume 28, Number 2 doi:10.1088/1361-6528/28/2/025303
DOI: 10.6073/pasta/bc4b16820a0f112e582043eaebfe207b
title: Microclimate Measurements from the Terrestrial Gradient Plots, Coweeta Hydrologic Laboratory, North Carolina, 1991-2016.
DOI: 10.4225/08/5889749204faa
title: Future hydroclimate projections for Victorian river basins

description: Projected changes in seasonal and annual rainfall, potential evapotranspiration (PET), average temperature and runoff for Victorian river basins by 2040 and 2065
DOI: 10.5281/zenodo.259341
title: Popc With Varying Amounts Of Cholesterol, 1 M Of Nacl. Slipids With Ions By Smith & Dang

description: Simulations of a POPC bilayer with varying amounts (0, 10, 20, and 30 mol-%) of cholesterol and 1 M of NaCl. The POPC bilayer consists of 200 lipids (100 per leaflet) and on top of that there is 0 (0%), 22 (10%), 50 (20%), or 86 (30%) of cholesterol. The Slipids model [1–3] is employed for lipids, tip3p model for water, and the ion parameters by Smith and Dang [4] for NaCl. The Slipids force field parameters are available at http://www.fos.su.se/~sasha/SLipids/ and the ion parameters are available at https://bitbucket.org/hseara/ions/

––––––––––––––––––––––––––––––––––––––––––––––––––––––

The files are in GROMACS format and named based on the amount of cholesterol present (in %) in the corresponding simulation. Trajectories (.xtc) are 200 ns long with data saved every 100 ps. Additionally, the final structure (.gro), topology (.top), index file (.ndx), energy output file (.edr), and binary run input files (for Gromacs 4.6-&gt;) (.tpr) are provided for each system. The common simulation parameter file (md.mdp) is also provided.

––––––––––––––––––––––––––––––––––––––––––––––––––––––

[1] Derivation and Systematic Validation of a Refined All-Atom Force Field for Phosphatidylcholine Lipids. Joakim P. M. Jämbeck and Alexander P. Lyubartsev, The Journal of Physical Chemistry B 2012 116 (10), 3164-3179, DOI: 10.1021/jp212503e

[2] An Extension and Further Validation of an All-Atomistic Force Field for Biological Membranes. Joakim P. M. Jämbeck and Alexander P. Lyubartsev, Journal of Chemical Theory and Computation 2012 8 (8), 2938-2948, DOI: 10.1021/ct300342n

[3] Another Piece of the Membrane Puzzle: Extending Slipids Further. Joakim P. M. Jämbeck and Alexander P. Lyubartsev, Journal of Chemical Theory and Computation 2013 9 (1), 774-784, DOI: 10.1021/ct300777p

[4] Computer simulations of NaCl association in polarizable water. David E. Smith and Liem X. Dang, The Journal of Chemical Physics 1994 100, 3757-3766, DOI: 10.1063/1.466363
DOI: 10.5281/zenodo.259343
title: Popc With Varying Amounts Of Cholesterol, 130 Mm Of Nacl. Slipids With Ecc-Scaled Ions

description: Simulations of a POPC bilayer with varying amounts (0, 10, 20, and 30 mol-%) of cholesterol and 130 mM of NaCl performed at 310 K. The POPC bilayer consists of 200 lipids (100 per leaflet) and on top of that there is 0 (0%), 22 (10%), 50 (20%), or 86 (30%) of cholesterol. The Slipids model [1–3] is employed for lipids, tip3p model for water, and the and the recent ion parameters by Kohagen et al. [4] for NaCl. The Slipids force field parameters are available at http://www.fos.su.se/~sasha/SLipids/ and the ion parameters are available at https://bitbucket.org/hseara/ions/<br>
––––––––––––––––––––––––––––––––––––––––––––––––––––––<br>
The files are in GROMACS format and named based on the amount of cholesterol present (in %) in the corresponding simulation. Trajectories (.xtc) are 200 ns long with data saved every 100 ps. Additionally, the final structure (.gro), topology (.top), index file (.ndx), energy output file (.edr), and binary run input files (for Gromacs 4.6-&gt;) (.tpr) are provided for each system. The common simulation parameter file (.mdp) is also provided.<br>
––––––––––––––––––––––––––––––––––––––––––––––––––––––<br>
[1] Derivation and Systematic Validation of a Refined All-Atom Force Field for Phosphatidylcholine Lipids. Joakim P. M. Jämbeck and Alexander P. Lyubartsev, The Journal of Physical Chemistry B 2012 116 (10), 3164-3179, DOI: 10.1021/jp212503e

[2] An Extension and Further Validation of an All-Atomistic Force Field for Biological Membranes. Joakim P. M. Jämbeck and Alexander P. Lyubartsev, Journal of Chemical Theory and Computation 2012 8 (8), 2938-2948, DOI: 10.1021/ct300342n

[3] Another Piece of the Membrane Puzzle: Extending Slipids Further. Joakim P. M. Jämbeck and Alexander P. Lyubartsev, Journal of Chemical Theory and Computation 2013 9 (1), 774-784, DOI: 10.1021/ct300777p

[4] Accounting for Electronic Polarization Effects in Aqueous Sodium Chloride via Molecular Dynamics Aided by Neutron Scattering. Miriam Kohagen, Philip E. Mason, and Pavel Jungwirth, The Journal of Physical Chemistry B 2016 120 (8), 1454–1460, DOI: 10.1021/acs.jpcb.5b05221
DOI: 10.5281/zenodo.259450
title: Results For Paper ""An Adaptive, Hanging-Node, Discontinuous Isogeometric Analysis Method For The First-Order Form Of The Neutron Transport Equation With Discrete Ordinate (S_N) Angular Discretisation"

description: This spreadsheet contains the results used to generate the plots in the paper  "An adaptive, hanging-node, discontinuous isogeometric analysis method for the first-order form of the neutron transport equation with discrete ordinate (S_N) angular discretisation".
DOI: 10.5517/ccdc.csd.cc1nbqmb
title: CCDC 1529652: Experimental Crystal Structure Determination

description: Related Article: Frank R. Fronczek|2017|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: 10.20348/storedb/1016/1030
title: German Thorotrast Study (human data)
title: Thorotrast studies patients

description: There are data from four different animal studies with Thorotrast from the years 1975 - 1989 in rats.The study tracks key data, study design, number of animals, a list of responsible scientist and some references are already in the ERA database.Institution: Deutsches Krebsforschungszentrum, Heidelberg, Germany.Purpose: To determine the respective roles of the radioactive and chemical component in Thorotrast gel-induced tumours, alpha radioactivity in Thorotrast was enriched about 50 times by addition of Th-230.Thorotrast was the brand name of a stabilised colloidal solution of thorium dioxide which was used preferentially as an X-ray contrast medium for arteriography between 1930 and 1950. The administration of the medium led to lifelong chronic alpha-particle irradiation by thorium decay products, mainly in the organs of deposition. Several epidemiological follow-up studies were set up after recognition of these side-effects among which the German study was the largest. MS-Access Database as given from study PI Prof. v. Kaick, DKFZ Heidelberg
description: null
DOI: 10.5517/ccdc.csd.cc10ypl7
title: CCDC 952059: Experimental Crystal Structure Determination

description: Related Article: Francisco Meijide , Juan V. Trillo , Santiago de Frutos , Cristina Gancedo , Victor Hugo Soto , Luciano Galantini , Aida Jover and José Vázquez Tato|2014|Conference|||
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.cc1nbgl1
title: CCDC 1529403: Experimental Crystal Structure Determination

description: Related Article: Jan W. Bats, Marc A. Grundl, A. Stephen K. Hashmi|2017|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: 10.15129/73a487ce-afaf-4ee7-95ac-124d97390921
title: Diagnosis of Weibel instability evolution in the rear surface scale lengths of laser solid interactions via proton acceleration

description: This dataset is associated with the article 'Diagnosis of Weibel instability evolution in the rear surface scale lengths of laser solid interactions via proton acceleration', which reports on an experimental and numerical investigation into the instabilities which can occur in a pre-expanded solid density plasma, their effects on the proton beam acceleration, and in turn how the ion acceleration mechanism can be used to diagnose the picosecond evolution of this instability.

Processed dose maps of the accelerated proton beam are included, which were retrieved from HDv2 radiochromic film, as well as a simulation input file for the EPOCH code, where version 4.4.6 of the code was used to obtain the numerical data presented in the above manuscript. The hardware used to generate the results is listed on the STFC Scientific Computing Application Resource for Facilities page.
DOI: 10.15785/sbgrid/420
title: HADDOCK Protein-peptide models

description: HADDOCK protein-peptide models gathered for the article:
"A unified conformational selection and induced fit approach to protein-peptide docking."
Trellet M, Melquiond ASJ, Bonvin AMJJ. Mar 2013. PLoS One 8(3)
dx.doi.org/10.1371/journal.pone.0058769
DOI: 10.1285/i20356609v9i3p777
title: Youth and Expectations on Democracy in Spain: the Role of Individual Human Values Structure of Young People in Dimension of Democracy

description: Democracy is a form of social organization based on popular sovereignty. The rise of democracy has run in parallel to economic growth in society and this system of government has been increasingly adopted in other countries (Inglehart, 2005). The same concept has been defined over time in different ways according to their historical characteristics. According to Kluckhohn (1958), humans react to external stimuli as well as to their own interpretations of stimuli as per a cognitive framework defined by the cul-ture in which the individual is inserted. This research is aimed at learning how values influence the concept that young Spaniards have of democracy and determine how these affect each dimension, factor or element in which the study of this type of social organization can be divided. In order to carry out this research we are using data from the sixth round of the European Social Survey (ESS) conducted in 2012. The sample consists of two groups, one with individuals aged 18 to 30 and a second group with people over 30 years of age. Results indicate that democracy —and its elements— is not an ideal concept, or it should not be seen as an invariable, objective concept, external to citizens. It is rather an adaptive and evolving instrument, consubstantial to each individual’s vital experience and society’s in its whole in which values have a joint function between the macro and the micro-social groups.
DOI: 10.1285/i20356609v9i3p799
title: The Ri-elaboration of the Collective Sphere. New Paths of Sociality and Groups-Formation among the New Generations

description: Goal of the article is to contribute to the understanding of the reinvention of politics in young generations moving from an in depth sociological examination of the change occurring in the structure of society and in its self-definition. The objective is to grasp the ambiguity and the ambivalence characterizing the ongoing scenery of change. To carry out this analysis, we will refer to Simmel’s seminar theory of society as a network of relations and, along this line, to the contributions of authors such as Beck, Giddens, Touraine, Melucci, Castells, on the development of the late modernity and the network society. The hy-pothesis we follow is that the younger generations present multiple and original synthesis between sub-jectivity and the collective dimension. The emergence of reticular and fluid relations among individuals fosters the process of individualization and the same reinvention of the nature of social ties. We frame the qualitative transformation of the concept of "group" and "collective" as the culmination of a process of individuation, which does not entail a disappearance of intermediate groups, but that multiplies and radically alters their structure. Groups are more and more fluid and their borders porous. Individuals are no longer defined by their belonging to groups, as the same belonging to groups becomes a contingent and a negotiated act.
DOI: 10.5281/zenodo.259349
title: Popc With Varying Amounts Of Cholesterol, 450 Mm Of Cacl_2. Slipids With Default Amber Ions

description: Simulations of a POPC bilayer with varying amounts (0, 10, 20, and 30 mol-%) of cholesterol and 450 mM of CaCl_2 performed at 310 K. The POPC bilayer consists of 200 lipids (100 per leaflet) and on top of that there is 0 (0%), 22 (10%), 50 (20%), or 86 (30%) of cholesterol. The Slipids model [1–3] is employed for lipids, tip3p model for water, and the default amber ion parameters (type C0) for CaCl_2. The Slipids force field parameters are available at http://www.fos.su.se/~sasha/SLipids/ .<br>
––––––––––––––––––––––––––––––––––––––––––––––––––––––<br>
The files are in GROMACS format and named based on the amount of cholesterol present (in %) in the corresponding simulation. Trajectories (.xtc) are 2 µs long with data saved every 100 ps. Additionally, the final structure (.gro), topology (.top), index file (.ndx), energy output file (.edr), and binary run input files (for Gromacs 4.6-&gt;) (.tpr) are provided for each system. The common simulation parameter file (.mdp) is also provided.<br>
––––––––––––––––––––––––––––––––––––––––––––––––––––––<br>
[1] Derivation and Systematic Validation of a Refined All-Atom Force Field for Phosphatidylcholine Lipids. Joakim P. M. Jämbeck and Alexander P. Lyubartsev, The Journal of Physical Chemistry B 2012 116 (10), 3164-3179, DOI: 10.1021/jp212503e<br>
[2] An Extension and Further Validation of an All-Atomistic Force Field for Biological Membranes. Joakim P. M. Jämbeck and Alexander P. Lyubartsev, Journal of Chemical Theory and Computation 2012 8 (8), 2938-2948, DOI: 10.1021/ct300342n<br>
[3] Another Piece of the Membrane Puzzle: Extending Slipids Further. Joakim P. M. Jämbeck and Alexander P. Lyubartsev, Journal of Chemical Theory and Computation 2013 9 (1), 774-784, DOI: 10.1021/ct300777p
DOI: 10.15139/s3/5t648m
title: MLE India Survey Tools
DOI: 10.15139/s3/txb3z3
title: MLE India Data Documentation
DOI: 10.5281/zenodo.259352
title: Data For Item-Method Directed Forgetting And Working Memory Capacity Study

description: This dataset contains recall data from an item-method directed forgetting paradigm, working memory scores from the operation span (OSpan) and running span (RunSpan) tasks, and event frequencies for the multinomial storage-retrieval model (Riefer & Rouder, 1992).

Detailed description of varibales in the dataset are contained in the pdf File "VariableDescriptions_IMDF_WM_AllData.pdf".
DOI: 10.5517/ccdc.csd.cc1nbrzq
title: CCDC 1529694: Experimental Crystal Structure Determination

description: Related Article: Brian W. Skelton, Wayne M. Best, James E. Rixson|2017|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.cc1nbs0s
title: CCDC 1529695: Experimental Crystal Structure Determination

description: Related Article: Brian W. Skelton, Wayne M. Best, James E. Rixson|2017|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: 10.5258/soton/404212
title: Dataset for "A large-eddy simulation on a deep-stalled aerofoil with a wavy leading edge"

description: Dataset supports:
Perez Torro, R. and Kim, J.W. (2016) A large-eddy simulation on a deep-stalled aerofoil with a wavy leading edge. Journal of Fluid Mechanics
DOI: 10.7281/t17h1gg5
title: Raw monitoring data and WRTDS estimates of nutrient and sediment loadings at four upstream monitoring sites in the Susquehanna River Basin from 1980s to 2014 (Towanda, Danville, Lewisburg, and Newport)
DOI: 10.5517/ccdc.csd.cc110jsc
title: CCDC 953832: Experimental Crystal Structure Determination

description: Related Article: Qing Liu|2016|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.cc113n4y
title: CCDC 956819: Experimental Crystal Structure Determination

description: Related Article: Qing Liu|2016|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: 10.7281/t13r0qrf
title: Raw monitoring data and WRTDS estimates of nutrient and sediment loadings at three monitoring sites in the lower Susquehanna River Basin from 1978 to 2014 (Marietta, Conestoga, and Conowingo)
DOI: 10.5517/ccdc.csd.cc110jl5
title: CCDC 953826: Experimental Crystal Structure Determination

description: Related Article: Qing Liu|2016|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.cc113q84
title: CCDC 956885: Experimental Crystal Structure Determination

description: Related Article: Qing Liu|2016|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: 10.21427/d7bg85
title: Innovative Food Product Development using Molecular Gastronomy; A Focus on Flavour and Sensory Evaluation