cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.29436757.v1
title: New K-feldspar Pb isotope results for Mesozoic arc crust in the Pacific Northwest, U.S.A. and Canada: comparison with the Mojave-Salinia province of southern California and Implications for Baja-BC

description: Measurements of lead isotopic compositions in detrital K-feldspar have been increasingly used as a tool to assess sediment provenance. We compiled a database of previously published Pb isotope data from 700 bedrock K-feldspar samples and 1,423 age-corrected bedrock whole rock samples from western North American igneous and metamorphic bodies. Additionally, we report 66 new K-feldspar Pb isotope data for plutons throughout the Pacific Northwest region of the United States and British Columbia. Results show that the Pb isotope values of plutonic K-feldspar depend on the isotopically juvenile or evolved nature of underlying crust. Samples obtained from the mid Cretaceous – mid Eocene Coast Plutonic Complex, North Cascades, and Intermontane superterrane that occur west of the initial 87Sr/86Sr (Sri) = 0.706 isopleth exhibit a highly restricted 207Pb/206Pb and 208Pb/206Pb values centred upon 0.83 and 2.03, respectively. Conversely, rocks overlying older continental crust further east such as the Middle Jurassic – Late Cretaceous Omineca crystalline belt, Idaho batholith, and Boulder Batholith exhibit far greater variation of Pb isotope values that parallel the 100 Ma isochron calculated from a two-stage Pb evolution model. We demonstrate that Pb isotopic results from the Idaho and Boulder Batholith region can be used to define distinctive subregions for Pb isotopic provenance analysis, and compare these signatures to the Mojave-Salinian batholith of southern California and western Arizona, as these two areas have previously been proposed as source regions for extraregional sediment that was deposited within the Nanaimo Basin during the Campanian – Maastrichtian. Future Pb isotopic analysis of detrital K-feldspar from the Nanaimo Basin of southwestern British Columbia may effectively distinguish between potential extraregional sources separated by thousands of kilometres.
DOI: 10.5517/cc4r1sp
title: CCDC 141322: Experimental Crystal Structure Determination

description: Related Article: L.R.MacGillivray, J.L.Reid, J.A.Ripmeester|2000|J.Am.Chem.Soc.|122|7817|doi:10.1021/ja001239i
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/cc4r1vr
title: CCDC 141324: Experimental Crystal Structure Determination

description: Related Article: L.R.MacGillivray, J.L.Reid, J.A.Ripmeester|2000|J.Am.Chem.Soc.|122|7817|doi:10.1021/ja001239i
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.29390159
title: Alpine Tethys rift-related OIB-type magmatism preserved on Elba Island (Northern Apennines, Italy)

description: The protoliths of the metabasite bodies exposed in the Mt. Calamita promontory (SE Elba Island, Italy) are postulated to have been formed during a Middle to Upper Triassic mafic magmatic event that intruded the Permo-Triassic sedimentary succession deposited on the thinned Adria paleo-margin during the break-up of Pangea. Although many of the metabasite outcrops in the Northern Apennines have been known since the 1950s, a comprehensive field documentation and an updated geochemical database are still lacking, thus preventing a full assessment of their petrogenesis and leaving the interpretation of the Lower Mesozoic Western Neotethys geodynamic framework incomplete. In this Communication, we describe for the first time the extent of the metabasite bodies and their relationship to the host rocks in Mt. Calamita promontory, thus defining their geochemical features and possible minimum age. Trace element evidence is used to constrain the mantle source and the associated tectonic scenario and indicate an alkaline basalt OIB-type magmatic character developed in an anorogenic divergent/rifted margin setting. When integrated with selected compositional data for Triassic and Early Cretaceous metabasite/mafic rocks from Adria and European paleomargins, a scenario of continental rift-drift and seafloor spreading involving upwelling parcels of enriched mantle is highlighted, defined for the first time as OIB-influenced (plume?) Alpine Tethys rifting.
DOI: 10.6084/m9.figshare.29390159.v1
title: Alpine Tethys rift-related OIB-type magmatism preserved on Elba Island (Northern Apennines, Italy)

description: The protoliths of the metabasite bodies exposed in the Mt. Calamita promontory (SE Elba Island, Italy) are postulated to have been formed during a Middle to Upper Triassic mafic magmatic event that intruded the Permo-Triassic sedimentary succession deposited on the thinned Adria paleo-margin during the break-up of Pangea. Although many of the metabasite outcrops in the Northern Apennines have been known since the 1950s, a comprehensive field documentation and an updated geochemical database are still lacking, thus preventing a full assessment of their petrogenesis and leaving the interpretation of the Lower Mesozoic Western Neotethys geodynamic framework incomplete. In this Communication, we describe for the first time the extent of the metabasite bodies and their relationship to the host rocks in Mt. Calamita promontory, thus defining their geochemical features and possible minimum age. Trace element evidence is used to constrain the mantle source and the associated tectonic scenario and indicate an alkaline basalt OIB-type magmatic character developed in an anorogenic divergent/rifted margin setting. When integrated with selected compositional data for Triassic and Early Cretaceous metabasite/mafic rocks from Adria and European paleomargins, a scenario of continental rift-drift and seafloor spreading involving upwelling parcels of enriched mantle is highlighted, defined for the first time as OIB-influenced (plume?) Alpine Tethys rifting.
DOI: 10.15151/esrf-es-2216246282
title: The Netherlands BAG

description: The Netherlands BAG includes structural biology and enzymology groups situated at six Dutch universities (Amsterdam, Eindhoven, Groningen, Leiden, Utrecht and Wageningen) and at the Netherlands Cancer Institute in Amsterdam, with a total of fifteen PIs. While the structural biology research projects carried out in these groups are highly diverse, they can be largely classified into two major themes: (i) research on proteins and systems with a strong biomedical relevance and (ii) research concerning the design of new biocatalysts for green chemistry and new-to-nature reactions. Projects deal with prokaryotic and eukaryotic proteins, membrane and soluble proteins, cell surface receptors, and protein-protein, protein-ribonucleotide, protein-drug and enzyme-ligand complexes.
DOI: 10.23719/1532113
title: Datasets for manuscript "Integrating data engineering and process systems engineering for end-of-life chemical flow analysis"

description: The Github Repository, https://github.com/jodhernandezbe/TRI4PLADS/tree/v1.0.0,, is publicly available and referenced in supplementary information. This GitHub repository describes the computational framework overview, software requirements, model use, model output, and disclaimer.
This repository presents a multi-scale framework that combines data engineering with process systems engineering (PSE) to enhance the precision of chemical flow analysis (CFA) at the end-of-life (EoL) stage. The focus is on chemicals used in plastic manufacturing, tracing their flows through the supply chain and EoL pathways. Additionally, this study examines potential discharges from material recovery facilities to publicly owned treatment works (POTW) facilities, recognizing their relevance to human and environmental health. Tracking these discharges is critical, as industrial EoL material transfers to POTWs can interfere with biological treatment processes, leading to unintended environmental chemical releases. By integrating data-driven methodologies with mechanistic modeling, this framework supports the identification, quantification, and regulatory assessment of chemical discharges, providing a science-based foundation for industrial and policy decision-making in sustainable material and water management.
The attached file CoU - Metadata File.xlsx contains the datasets to build Figure 3 and describe a qualitative flow diagram of methyl methacrylate from manufacturing to potential consumer products generated from the Chemical Conditions of Use Locator methodology (https://doi.org/10.1111/jiec.13626). 
The attached file "MMA POTW Dataset.xlsx" contains the datasets needed to run the Chemical Tracker and Exposure Assessor in Publicly Owned Treatment Works Model (ChemTEAPOTW) as described in the Github Repository https://github.com/gruizmer/ChemTEAPOTW. 
The attached file "Plastic Data-Calculations-Assumptions.docx" contains all calculations and assumption to estimate the methyl methacrylate (MMA) releases from plastic recycling. 
Finally, users can generate Figures 4 and 5 after following the step-by-step process described in main Github repository for the MMA case study.
DOI: 10.5517/cc4r1ws
title: CCDC 141325: Experimental Crystal Structure Determination

description: Related Article: L.R.MacGillivray, J.L.Reid, J.A.Ripmeester|2000|J.Am.Chem.Soc.|122|7817|doi:10.1021/ja001239i
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/cc61dl6
title: CCDC 180097: Experimental Crystal Structure Determination

description: Related Article: R.M.Gauvin, J.A.Osborn, J.Kress|2000|Organometallics|19|2944|doi:10.1021/om000299u
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-2262598166
title: Co bi-functional catalyst operando characterization

description: This is part of in-house staff research. Reproducibility measurement of Co bi-functional catalyst in 6.9M KOH + ZnO electrolyte in operando conditions. Structural changes of the catalyst during accelerated stress testing (AST) will be evaluated, along with the structure and performance before and after ASTs.
DOI: 10.5517/cc3xylj
title: CCDC 117198: Experimental Crystal Structure Determination

description: Related Article: G.D.Fallon, L.Spiccia, B.O.West, Q.Zhang|1999|J.Sol-Gel Science and Technology|16|119|doi:10.1023/A:1008769322774
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/cc54x39
title: CCDC 153670: Experimental Crystal Structure Determination

description: Related Article: D.P.Long, A.Chandrasekaran, R.O.Day, P.A.Bianconi, A.L.Rheingold|2000|Inorg.Chem.|39|4476|doi:10.1021/ic991179l
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/cc53lnh
title: CCDC 152416: Experimental Crystal Structure Determination

description: Related Article: M.J.Krische, J.-M.Lehn, N.Kyritsakas, J.Fischer, E.K.Wegelius, K.Rissanen|2000|Tetrahedron|56|6701|doi:10.1016/S0040-4020(00)00489-0
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/cc55t26
title: CCDC 154537: Experimental Crystal Structure Determination

description: Related Article: Maomian Fan, I.V.Shevchenko, R.H.Voorhies, S.F.Eckert, Hongming Zhang, M.Lattman|2000|Inorg.Chem.|39|4704|doi:10.1021/ic000349n
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-2227973348
title: Serial (SSX): Southampton, Essex, Exeter, KCL, UCL, Leicester, St Andrews Block Allocation Group (BAG)

description: The BAG coordinates work in serial synchrotron crystallography, SSX. We propose to collect low dose ground states on enzymes, ligand complexes, and redox sensitive metallo-proteins, using the fixed target chip or foil sample delivery systems at ID29. For time resolved work, we propose laser activated work as well as mixing experiments using tape-drive delivery. Further, we are interested in developing our microfluidic setup together with the ID29 team for fast mixing applications in time resolved work, which will require modifying the sample environment. This bag is further extending as we are additionally joined by two groups from Imperial College London and St Andrews University. We require access to icOS and TricOS to probe for reaction intermediates, to BM07 online spectroscopy, to standard crystallography beamlines to refine crystallisation and substrate addition and potentially request a humidifier at the beamline as well as anaerobic capability.
DOI: 10.5517/cc55t37
title: CCDC 154538: Experimental Crystal Structure Determination

description: Related Article: Maomian Fan, I.V.Shevchenko, R.H.Voorhies, S.F.Eckert, Hongming Zhang, M.Lattman|2000|Inorg.Chem.|39|4704|doi:10.1021/ic000349n
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/cc55t48
title: CCDC 154539: Experimental Crystal Structure Determination

description: Related Article: Maomian Fan, I.V.Shevchenko, R.H.Voorhies, S.F.Eckert, Hongming Zhang, M.Lattman|2000|Inorg.Chem.|39|4704|doi:10.1021/ic000349n
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-2227965421
title: All-solid-state lithium batteries based on Li1+xAlxTi2-x(PO4)3 (LATP, x = 0.3-0.5) solid-state electrolyte and LiFePO4 (LFP) cathode active

description: All-solid-state lithium batteries (ASSLBs) have gained significant attention as a next-generation energy storage solution due to
enhanced safety, non-flammability, and superior thermal stability while providing higher energy density than conventional liquid-electrolyte
batteries. In this project, ASSLBs based on Li1+xAlxTi2-x(PO4)3 (LATP, x = 0.3-0.5) solid-state electrolytes (SSE) will be fabricated in the form
of thin membranes. LiFePO4 (LFP), a low-cost cathode material with a long cycle life, will be co-sintered with LATP to form a composite
cathode and assemble it with the LATP SSE layer, offering a safer, more energy-dense all-ceramic alternative to prevailing designs. The
electrochemical phase change during cell cycling will be systematically investigated using synchrotron X-ray diffraction (SXRD).
DOI: 10.5517/cc4hyvd
title: CCDC 134504: Experimental Crystal Structure Determination

description: Related Article: H.-J.Knolker, E.Baum, H.Goesmann, H.Gossel, K.Hartmann, M.Kosub, U.Locher, T.Sommer|2000|Angew.Chem.,Int.Ed.|39|781|doi:10.1002/(SICI)1521-3773(20000218)39:4<781::AID-ANIE781>3.3.CO;2-1
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/cc4hywf
title: CCDC 134505: Experimental Crystal Structure Determination

description: Related Article: H.-J.Knolker, E.Baum, H.Goesmann, H.Gossel, K.Hartmann, M.Kosub, U.Locher, T.Sommer|2000|Angew.Chem.,Int.Ed.|39|781|doi:10.1002/(SICI)1521-3773(20000218)39:4<781::AID-ANIE781>3.3.CO;2-1
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/cc4hyxg
title: CCDC 134506: Experimental Crystal Structure Determination

description: Related Article: H.-J.Knolker, E.Baum, H.Goesmann, H.Gossel, K.Hartmann, M.Kosub, U.Locher, T.Sommer|2000|Angew.Chem.,Int.Ed.|39|781|doi:10.1002/(SICI)1521-3773(20000218)39:4<781::AID-ANIE781>3.3.CO;2-1
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/cc4hfjk
title: CCDC 133998: Experimental Crystal Structure Determination

description: Related Article: G.Maas, V.Gettwert, F.Krebs, G.Schmidtberg|2000|Chem.-Eur.J.|6|1646|doi:10.1002/(SICI)1521-3765(20000502)6:9<1646::AID-CHEM1646>3.3.CO;2-3
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/cc4hfkl
title: CCDC 133999: Experimental Crystal Structure Determination

description: Related Article: G.Maas, V.Gettwert, F.Krebs, G.Schmidtberg|2000|Chem.-Eur.J.|6|1646|doi:10.1002/(SICI)1521-3765(20000502)6:9<1646::AID-CHEM1646>3.3.CO;2-3
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/cc4hflm
title: CCDC 134000: Experimental Crystal Structure Determination

description: Related Article: G.Maas, V.Gettwert, F.Krebs, G.Schmidtberg|2000|Chem.-Eur.J.|6|1646|doi:10.1002/(SICI)1521-3765(20000502)6:9<1646::AID-CHEM1646>3.3.CO;2-3
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/cc4hfmn
title: CCDC 134001: Experimental Crystal Structure Determination

description: Related Article: G.Maas, V.Gettwert, F.Krebs, G.Schmidtberg|2000|Chem.-Eur.J.|6|1646|doi:10.1002/(SICI)1521-3765(20000502)6:9<1646::AID-CHEM1646>3.3.CO;2-3
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/cc4hhjm
title: CCDC 134060: Experimental Crystal Structure Determination

description: Related Article: G.Maas, V.Gettwert, F.Krebs, G.Schmidtberg|2000|Chem.-Eur.J.|6|1646|doi:10.1002/(SICI)1521-3765(20000502)6:9<1646::AID-CHEM1646>3.3.CO;2-3
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-2250350908
title: Operando Synchrotron Investigation of Structural Evolution in OER Catalysts and Anion Exchange Membranes During Water Electrolysis

description: This project investigates structural changes in OER catalysts and anion exchange membranes (AEMs) under real electrolysis conditions using operando synchrotron techniques (e.g. SAXS/WAXD, GIWAXD). Key aims include monitoring active phase transitions in NiFe/Co-based catalysts and evaluating AEM durability during oxygen evolution. The study seeks to correlate structural evolution with catalytic performance and membrane degradation, aiding the design of efficient and stable AEM electrolyzers. Synchrotron-based operando tools provide essential nanoscale insights into these energy-relevant systems.
DOI: 10.5517/cc4x7v3
title: CCDC 146315: Experimental Crystal Structure Determination

description: Related Article: Hong-Bin Yin, Zhi-Sheng He, Yang Ye|2000|J.Nat.Prod.|63|1164|doi:10.1021/np000140m
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.