cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2dr63h
title: CCDC 2226826: Experimental Crystal Structure Determination

description: Related Article: Laxmi Devkota, Daniel J. SantaLucia, Amelia M. Wheaton, Alexander J. Pienkos, Sergey V. Lindeman, J. Krzystek, Mykhaylo Ozerov, John F. Berry, Joshua Telser, Adam T. Fiedler|2023|Inorg.Chem.|62|5984|doi:10.1021/acs.inorgchem.2c04468
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.cc2drhg4
title: CCDC 2227116: Experimental Crystal Structure Determination

description: Related Article: Caleb J. Tatebe, Emily Fromel, Michael K. Bellas, Matthias Zeller, Douglas T. Genna|2023|Inorg.Chem.|62|5881|doi:10.1021/acs.inorgchem.3c00148
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.cc2drhj6
title: CCDC 2227118: Experimental Crystal Structure Determination

description: Related Article: Caleb J. Tatebe, Emily Fromel, Michael K. Bellas, Matthias Zeller, Douglas T. Genna|2023|Inorg.Chem.|62|5881|doi:10.1021/acs.inorgchem.3c00148
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.cc2drhk7
title: CCDC 2227119: Experimental Crystal Structure Determination

description: Related Article: Caleb J. Tatebe, Emily Fromel, Michael K. Bellas, Matthias Zeller, Douglas T. Genna|2023|Inorg.Chem.|62|5881|doi:10.1021/acs.inorgchem.3c00148
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.cc2drhm9
title: CCDC 2227121: Experimental Crystal Structure Determination

description: Related Article: Caleb J. Tatebe, Emily Fromel, Michael K. Bellas, Matthias Zeller, Douglas T. Genna|2023|Inorg.Chem.|62|5881|doi:10.1021/acs.inorgchem.3c00148
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.cc2f0klm
title: CCDC 2234870: Experimental Crystal Structure Determination

description: Related Article: Caleb J. Tatebe, Emily Fromel, Michael K. Bellas, Matthias Zeller, Douglas T. Genna|2023|Inorg.Chem.|62|5881|doi:10.1021/acs.inorgchem.3c00148
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.cc2f133q
title: CCDC 2235382: Experimental Crystal Structure Determination

description: Related Article: Artem V. Semenov, Sergey V. Baykov, Natalia S. Soldatova, Kirill K. Geyl, Daniil M. Ivanov, Antonio Frontera, Vadim P. Boyarskiy, Pavel S. Postnikov, Vadim Yu. Kukushkin|2023|Inorg.Chem.|62|6128|doi:10.1021/acs.inorgchem.3c00229
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.cc2f130m
title: CCDC 2235379: Experimental Crystal Structure Determination

description: Related Article: Artem V. Semenov, Sergey V. Baykov, Natalia S. Soldatova, Kirill K. Geyl, Daniil M. Ivanov, Antonio Frontera, Vadim P. Boyarskiy, Pavel S. Postnikov, Vadim Yu. Kukushkin|2023|Inorg.Chem.|62|6128|doi:10.1021/acs.inorgchem.3c00229
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.cc2f134r
title: CCDC 2235383: Experimental Crystal Structure Determination

description: Related Article: Artem V. Semenov, Sergey V. Baykov, Natalia S. Soldatova, Kirill K. Geyl, Daniil M. Ivanov, Antonio Frontera, Vadim P. Boyarskiy, Pavel S. Postnikov, Vadim Yu. Kukushkin|2023|Inorg.Chem.|62|6128|doi:10.1021/acs.inorgchem.3c00229
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.cc2f131n
title: CCDC 2235380: Experimental Crystal Structure Determination

description: Related Article: Artem V. Semenov, Sergey V. Baykov, Natalia S. Soldatova, Kirill K. Geyl, Daniil M. Ivanov, Antonio Frontera, Vadim P. Boyarskiy, Pavel S. Postnikov, Vadim Yu. Kukushkin|2023|Inorg.Chem.|62|6128|doi:10.1021/acs.inorgchem.3c00229
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.cc2f1m59
title: CCDC 2235880: Experimental Crystal Structure Determination

description: Related Article: Artem V. Semenov, Sergey V. Baykov, Natalia S. Soldatova, Kirill K. Geyl, Daniil M. Ivanov, Antonio Frontera, Vadim P. Boyarskiy, Pavel S. Postnikov, Vadim Yu. Kukushkin|2023|Inorg.Chem.|62|6128|doi:10.1021/acs.inorgchem.3c00229
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.cc2fb284
title: CCDC 2244005: Experimental Crystal Structure Determination

description: Related Article: Laxmi Devkota, Daniel J. SantaLucia, Amelia M. Wheaton, Alexander J. Pienkos, Sergey V. Lindeman, J. Krzystek, Mykhaylo Ozerov, John F. Berry, Joshua Telser, Adam T. Fiedler|2023|Inorg.Chem.|62|5984|doi:10.1021/acs.inorgchem.2c04468
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.cc2fb295
title: CCDC 2244006: Experimental Crystal Structure Determination

description: Related Article: Laxmi Devkota, Daniel J. SantaLucia, Amelia M. Wheaton, Alexander J. Pienkos, Sergey V. Lindeman, J. Krzystek, Mykhaylo Ozerov, John F. Berry, Joshua Telser, Adam T. Fiedler|2023|Inorg.Chem.|62|5984|doi:10.1021/acs.inorgchem.2c04468
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: 10.15151/esrf-es-1018272806
title: The Israeli BAG

description: The BAG is quite large with 24 principal investigators covering almost all groups in Israel. The scientific topics are diverse and so different that depicting them in a short Abstract is extremely difficult. In this context BAG members are studying the parameters that govern protein assemblage, structural impacts of signaling processes in different cascades. There are several projects that are directed towards molecular recognition with implementation towards drug design. In addition, we still have the ribosome project and the design of unique antibiotics with specific functional interactions from the mycinamycins family and their resistance related mechanism compared with other macrolides and the photosystem and how it converts light into energy. Since Covid-19 is still a relevant topic as are other viral infections BAG members are and have been involved in the understanding of the infection process and the means to hinder it.
DOI: 10.15151/esrf-es-1058397261
title: The Netherlands BAG

description: The Netherlands BAG includes groups situated at five Dutch universities (Utrecht, Groningen, Amsterdam, Wageningen and Eindhoven) and at the Netherlands Cancer Institute in Amsterdam, with a total of twelve PIs. The structural biology research carried out in these groups is highly diverse, including prokaryotic and eukaryotic proteins with a strong focus on targets and processes of biomedical relevance. Central to many projects are protein receptors and their interactions with other proteins and with small molecule modulators. An additional major research area concerns structure-based protein engineering and design aiming at the characterization and engineering of new enzymes for green chemistry and new-to-nature reactions. Projects deal with membrane and soluble proteins, cell surface receptors, and protein-protein, protein-ribonucleotide, protein-drug and enzyme-ligand complexes.
DOI: 10.15151/esrf-es-1106936236
title: Nanomechanical phase mapping validated through nano-diffraction on complex metallic films

description: Lack of testing standards for Nanoindentation fast mapping in the continuous stiffness measurement mode (depth sensing capability) of multiphase materials requires validation by nanodiffraction, to meet the challenges for establishing structure-property relationships. Data would be reusable in new experiments by Artificial Intelligence (AI) to enable fast -mapping by solely utilizing the nanomechanical profile of the material tested with similar composition. The proposal focuses on a complex material developed by PVD on a Si wafer. The thin film is consisted of Cu, Cr, Ti, W, where phases such as metallic glasses, alloys, and immiscible phases of elements are present, with a multi-granular structure. Elastic modulus and hardness mapping in the nanoscale (10-300 nm) will be studied to identify the deformation mechanics of the different metallic phases, combined by ex-situ nanodiffraction for validating phase distribution, and a SOP useable for industry will be documented.
DOI: 10.15151/esrf-es-1164008828
title: Osteocyte-lacuna-canalicular network analysis in different mammalian and avian species.

description: Bone is constantly undergoing (re)modelling to adapt to external mechanical stimuli, which is carried out through mechanotransduction, involving the sensing of mechanical forces, the transformation and the transmission of the mechano-biochemical signal, which are not fully understood. Osteocytes are thought to be the main mechanoreceptive cell. When bone is compressed, fluid flow is induced, moving ions and waste towards and away from cells. The shape and orientation of the osteocytes within the bone yields information on the sensitivity of the bone to respond to mechanical stimuli. The ID19 beamline has previously been used to identify vasculature and osteocyte lacunae within murine bone. We would like to use a similar approach to analyze the osteocyte network in 3 species, BRTL mice with osteogenesis imperfecta, Sprague Dawley rats treated with an anabolic drug, and adolescent Lohmann Selected Leghorn Lite chickens prior to maturity.
DOI: 10.15151/esrf-es-1179264388
title: Studies of hierarchical growth in shells

description: Multi-scale tomographic scans of sea shells to elucidate the properties of the biominerals.
DOI: 10.15151/esrf-es-1182844939
title: Feasibility tests of PCT, DCT and s-3DXRD in Ni superalloys and martensitic steels

description: Samples will be tested for the feasibility of a combination of both DCT and s-3DXRD techniques in martensitic steels. Ni superalloys will be characterized by PCT for crack detection and DCT as feasibility tests.
DOI: 10.15151/esrf-es-1106935013
title: Determination of redox conditions from the Fe oxidation state of epidote and lawsonite in subducted oceanic crust

description: The goal of this project is to evaluate redox conditions and trends in subducted oceanic crust by determining compositions of zoned, transition-metal-bearing minerals and evaluating the results as a function of P-T conditions. This study will track element budgets in metamorphic minerals, particularly those that are sources and sinks of Fe3+ by determining the Fe oxidation state with Fe K-edge Micro-XANES. It will extend the database on the role of Fe oxidation state in metamorphic reactions, which is a pre-requisite for developing thermodynamic models that will eventually allow tracing the evolution of redox conditions from the subducted oceanic crust to the mantle melts in subduction-related volcanism.
DOI: 10.15151/esrf-es-1106936662
title: Investigation of photoreaction pathways of gold halide series

description: Metal–ligand interaction is one of the major factors determining the chemical properties of inorganic and organometallic complexes. It is natural to expect that a series of metal complexes having the same metal center but different ligands would show different reactivities and reaction pathways. Such a dependency of the reactivities on the identity of the ligand allows room for the design and control of the reaction. For this purpose, it is necessary to understand the detailed molecular mechanism of how the M–L interaction affects the reactivities and reaction pathways. In this proposal, we propose to visualize the structural change of [AuX2−]n (X = Br or I) in acetonitrile during the photoreaction pathways. We will investigate the photoreaction pathways of analogous systems having heavier ligands of which the position can be sensitively traced via TRXL. By doing so, we seek to obtain direct clues for understanding how the M–L interaction affects the photoreaction pathways.
DOI: 10.15151/esrf-es-1106937800
title: Understanding the short range order in Silicon anodes using in-situ PDF scattering

description: Next Gen batteries with improved energy densities are needed to electrify the automotive sector and meet ambitious Net Zero targets. These will use active materials such as silicon/silicon oxide which are primarily amorphous or semi-crystalline during cycling, and extremely difficult to probe using traditional techniques such as X-ray diffraction. Furthermore, these phases may be transient or metastable and must be characterised during operation. We propose 4D (3 dimensions+ time) atomic mapping of working cells using pair-distribution-function computed tomography (PDF-CT), where total scattering data can be acquired with high spatial resolution, as a tool to understand these materials and their evolution during cycling. These investigations will reveal, and allow us to understand,important phase transitions and transformations in advanced chemistries and device architectures. This technique is a relatively new development and severely underexplored for energy storage applications
DOI: 10.15151/esrf-es-1106943771
title: First RIXS study of a magnetic superstructure in underdoped YBa2Cu3O7-δ

description: Recently a polarized neutron diffraction (PND) experiment has unveiled, in underdoped YBa2Cu3O7-x (YBCO), a new type of order associated to a hidden lattice translational-breaking intra-unit-cell magnetism and apparently related to the pseudogap state. In an exploratory Cu L3 RIXS experiment we have found the signature of the same order. We propose therefore to study this phenomenon with RIXS in YBCO single crystals and thin films, so to make the bridge with neutron results. The doping, temperature and magnetic field evolution will tell us how strict correspondence is between the peaks measured by the two techniques. Ultimately, the experiment will enable the study of intra-unit-cell magnetism in thin films, a domain which is inaccessible to neutron experiments, where strain and sample confinement can provide decisive information about the importance of this phenomenon in the physics of cuprate HTS.
DOI: 10.15151/esrf-es-1107807291
title: In-situ monitoring of Inconel 718 phase evolution during DMD

description: Cyclic heating and rapid melting/solidification mechanism cause complex thermal gradients during direct metal deposition (DMD) of Inconel 718 changing dynamically in time and region within the bulk material. These changes can trigger repetitive phase transformations and evolutions along the build height of the part inducing microscopic and macroscopic strains. In order to decouple and disclose contributions (microstructural, thermal, residual stresses) of the overall stress state, phase and lattice parameter evolution needs to be monitored during printing. The commonly used techniques for characterization are not adequate for resolving phase development due to the lack of time and spatial resolution. Hence, a time-resolved in-situ DMD of wire Inconel 718 via synchrotron x-ray diffraction at ID31 is hereby proposed. This study will disclose the solidification sequence at regions of interests (including melt pool) and its phase and lattice parameter evolution during continuous printing.
DOI: 10.6084/m9.figshare.19960232
title: Fluorescence imaging of CCA organoid-derived cells

description: A large database of microscopic images of more than 75,000 individual organoid-derived cancer and normal cells from 3 cholangiocarcinoma patients.
DOI: 10.6084/m9.figshare.19960232.v1
title: Fluorescence imaging of CCA organoid-derived cells

description: A large database of microscopic images of more than 75,000 individual organoid-derived cancer and normal cells from 3 cholangiocarcinoma patients.
DOI: 10.26179/kwq4-yh87
title: Katabatic Wind Study Along IAGP Line, Raw Data, 1984
DOI: 10.5281/zenodo.7882487
title: Vollständige Transkripte der Expert*inneninterviews zur Masterarbeit "Digitale Badges als Kompetenznachweis – Erwartungen aus Sicht von HR-Verantwortlichen in Österreich"

description: Vollständige Transkripte der Expert*inneninterviews zur Masterarbeit „Digitale Badges als Kompetenznachweis – Erwartungen aus Sicht von HR-Verantwortlichen in Österreich“
DOI: 10.5281/zenodo.7882486
title: Vollständige Transkripte der Expert*inneninterviews zur Masterarbeit "Digitale Badges als Kompetenznachweis – Erwartungen aus Sicht von HR-Verantwortlichen in Österreich"

description: Vollständige Transkripte der Expert*inneninterviews zur Masterarbeit „Digitale Badges als Kompetenznachweis – Erwartungen aus Sicht von HR-Verantwortlichen in Österreich“
DOI: 10.34740/kaggle/dsv/5344026
title: 3 x Image super resolution
DOI: 10.34740/kaggle/dsv/5571503
title: NSE-Scripts-Data
DOI: 10.25919/8vnd-n455
title: Parkes observations for project P1183 semester 2023APRS_02

description: A new energetic repeating FRB 20220529 can be observed by both FAST and Parkes telescopes and the simultaneous observing time is up to one hour. We have observed this source using Parkes UWL green time and in total 21 bursts have been detected. Two bursts of them have the corresponding simultaneous FAST observations. Only one burst has 4-pol datasets and is bright enough to analyse the polarization properties. Therefore, we propose to continue the monitoring of the source of FRB 20220529 using the Parkes UWL with high-time resolution and 4-pol observation. The new proposed observation aims to: (1)detect more bursts by Parkes UWL with full polarization information; (2) detect more bursts by Parkes UWL with corresponding simultaneous FAST observations; (3) study the radiation spectrum by more bursts detected in simultaneous observations of Parkes and FAST; (4) study the burst microstructure using high time resolution datasets, and (5) study the frequency ranges changes of the repeating bursts.
DOI: 10.34740/kaggle/dsv/5571630
title: Elon Musk Tweets
DOI: 10.5281/zenodo.7869234
title: Simulation data -- Electron-scale current sheet for southward IMF KHI event (Part 1)

description: The data from a VPIC simulation of the electron-scale current sheet at a KH vortex for the southward IMF. Simulation is performed using the VPIC code (githab.com/lanl/vpic). This part includes data for the magnetic field (bx, by, bz), the electric field (ez), the electron velocity (uex, uey, uez), the ratio between parallel and perpendicular electron temperature (tepar_teper) and the energy conversion measure J.E' (JEp). Also included is the info file of the simulation. Further we included the orbit-files containing the data structures from the virtual spacecraft orbits set in the simulation. The data structure is as follows: it (time number=timestep/705), i (grid number in x), k (grid number in z), time (in 1/Omega_i~1s for 10nT), x in de, z in de, bx, by, bz, ex, ey, ez, uix, uiy, uiz, uex, uey, uez, pi, pe, ni, ne, e_para, e_perp, JE', Te_para, Te_perp The normalization of the data is the ones for the raw VPIC data.
DOI: 10.5281/zenodo.7869233
title: Simulation data -- Electron-scale current sheet for southward IMF KHI event (Part 1)

description: The data from a VPIC simulation of the electron-scale current sheet at a KH vortex for the southward IMF. Simulation is performed using the VPIC code (githab.com/lanl/vpic). This part includes data for the magnetic field (bx, by, bz), the electric field (ez), the electron velocity (uex, uey, uez), the ratio between parallel and perpendicular electron temperature (tepar_teper) and the energy conversion measure J.E' (JEp). Also included is the info file of the simulation. Further we included the orbit-files containing the data structures from the virtual spacecraft orbits set in the simulation. The data structure is as follows: it (time number=timestep/705), i (grid number in x), k (grid number in z), time (in 1/Omega_i~1s for 10nT), x in de, z in de, bx, by, bz, ex, ey, ez, uix, uiy, uiz, uex, uey, uez, pi, pe, ni, ne, e_para, e_perp, JE', Te_para, Te_perp The normalization of the data is the ones for the raw VPIC data.