cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.10519449
title: Dataset related to the article "Albumin Thiolation and Oxidative Stress Status in Patients with Aortic Valve Stenosis"

description: This record contains raw data related to the article "Albumin Thiolation and Oxidative Stress Status in Patients with Aortic Valve Stenosis".

Abstract: Recent evidence indicates that reactive oxygen species play an important causative rolein the onset and progression of valvular diseases. Here, we analyzed the oxidative modifications ofalbumin (HSA) occurring on Cysteine 34 and the antioxidant capacity of the serum in 44 patientswith severe aortic stenosis (36 patients underwent aortic valve replacement and 8 underwent asecond aortic valve substitution due to a degenerated bioprosthetic valve), and in 10 healthy donors(controls). Before surgical intervention, patients showed an increase in the oxidized form of albumin(HSA-Cys), a decrease in the native reduced form (HSA-SH), and a significant reduction in serumfree sulfhydryl groups and in the total serum antioxidant activity. Patients undergoing a second valvereplacement showed levels of HSA-Cys, free sulfhydryl groups, and total antioxidant activity similarto those of controls. In vitro incubation of whole blood with aspirin (ASA) significantly increased thefree sulfhydryl groups, suggesting that the in vivo treatment with ASA may contribute to reducingoxidative stress. We also found that N-acetylcysteine and its amide derivative were able to regenerateHSA-SH. In conclusion, the systemic oxidative stress reflected by high levels of HSA-Cys is increasedin patients with aortic valve stenosis. Thiol–disulfide breaking agents regenerate HSA-SH, thuspaving the way to the use these compounds to mitigate the oxidative stress occurring in the disease
DOI: 10.5517/ccdc.csd.cc2d33wj
title: CCDC 2207537: Experimental Crystal Structure Determination

description: Related Article: Kumar Sowmiya, Sathiyamoorthy Buvaneswaran, Trilochan Sahoo, Sabari Girisun T. C, Gunasekaran B|2024|Opt.Mater.|147|114769|doi:10.1016/j.optmat.2023.114769
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: 10.5281/zenodo.10204533
title: Mechanistic insights into silver-gold nanoalloy formation by two-dimensional population balance modeling

description: This is the raw data for the manuscript:
Mechanistic insights into silver-gold nanoalloy formation by two-dimensional population balance modelingAbstract:The large-scale synthesis of nanoparticles (NPs) with defined properties requires detailed understanding of the underlying formation mechanisms and kinetics. The formation mechanisms of bimetallic NPs are still not sufficiently understood due to the complex reaction chemistry, which makes the control of the supersaturation within the reactor, as the thermodynamic driving force, challenging. Particle size, chemical composition, and the distribution of the elements within the particles change dynamically during particle formation. In this work, we propose a mechanism for the formation of bimetallic silver-gold alloy NPs via a green liquid-phase co-reduction synthesis and develop a two-dimensional population balance model to quantitatively describe the evolution of particle size, composition, and optical properties. We shed light on the complex multi-stage formation mechanism of a highly relevant bimetallic NP system and lay the foundation for tailoring the process conditions to achieve desired optical particle properties and to develop predictive property-process relationships.
 
All data are sorted according to their appearance in the figures of the main manuscript.
DOI: 10.5281/zenodo.10204534
title: Mechanistic insights into silver-gold nanoalloy formation by two-dimensional population balance modeling

description: This is the raw data for the manuscript:
Mechanistic insights into silver-gold nanoalloy formation by two-dimensional population balance modelingAbstract:The large-scale synthesis of nanoparticles (NPs) with defined properties requires detailed understanding of the underlying formation mechanisms and kinetics. The formation mechanisms of bimetallic NPs are still not sufficiently understood due to the complex reaction chemistry, which makes the control of the supersaturation within the reactor, as the thermodynamic driving force, challenging. Particle size, chemical composition, and the distribution of the elements within the particles change dynamically during particle formation. In this work, we propose a mechanism for the formation of bimetallic silver-gold alloy NPs via a green liquid-phase co-reduction synthesis and develop a two-dimensional population balance model to quantitatively describe the evolution of particle size, composition, and optical properties. We shed light on the complex multi-stage formation mechanism of a highly relevant bimetallic NP system and lay the foundation for tailoring the process conditions to achieve desired optical particle properties and to develop predictive property-process relationships.
 
All data are sorted according to their appearance in the figures of the main manuscript.
DOI: 10.25423/cmcc/medsea_immerse_nemo_ww3_coupling
title: Mediterranean Sea, NEMO4.2 / WW3 uncoupled and coupled Surface currents, Stokes Drift and Surface stress
title: MEDSEA_IMMERSE_NEMO_WW3_coupling

description: The NEMO version 4.2 has been updated to include new processes related to wave-current interactions. A set of sensitivity experiments are performed using the hydrodynamic model NEMO v4.2 coupled with the spectral wave model WaveWatchIII (WW3) v6.07 through the OASIS library. The configuration is based on the operational Copernicus Marine Service Mediterranean forecasting physical system (MedFS). Both models are implemented at 1/24°resolution and are forced by ECMWF 1/10° horizontal resolution atmospheric fields. Two-year numerical experiments are carried out in both uncoupled and 1 way coupled mode. This dataset was created in the context of the IMMERSE H2020 project.
DOI: 10.18117/qgkb-g857
title: Data associated with publication: "Separating geometric and diffusive contributions to the surface nucleation of dislocations in nanoparticles" by R. Ding, S. Azadehranjbar, I.M. Padilla Espinosa, A. Martini, and T.D.B. Jacobs, published in ACS Nano, 2024

description: Data associated with publication: "Separating geometric and diffusive contributions to the surface nucleation of dislocations in nanoparticles" by R. Ding, S. Azadehranjbar, I.M. Padilla Espinosa, A. Martini, and T.D.B. Jacobs, published in ACS Nano, 2024
DOI: 10.3886/e185702v1
title: Data and Code for: Increasing the Retirement Age: Policy Effects and Underlying Mechanisms

description: We study the effects of increasing the statutory retirement age (SRA) in the Netherlands, using RDD and administrative data on the universe of the population. We find clear and large employment effects of the reform. A simple model in which individuals stay longer in their pre-SRA labor market state predicts the treatment effects well. The employment level before the SRA and the retirement hazard at the SRA are the key determinants of the effects of the policy change. Exploring potential explanations for the high hazard rate observed in the Netherlands, our results point to an important role of employers' effects. <br><br>
DOI: 10.6084/m9.figshare.23635078
title: Unveiling the stratigraphy of the northern Punta del Este Terrane (Jaguarão Domain) and its role in the Neoproterozoic tectonic evolution of the Dom Feliciano Belt (southern Brazil and Uruguay)

description: The Punta del Este Terrane, located in southeastern Brazil and eastern Uruguay, is a tectonostratigraphic terrane recognized in the Dom Feliciano Belt, the southern segment of Mantiqueira Province (Brasiliano Orogen). The northern sector of the terrane, called here by the Jaguarão Domain, is constituted by Arroio Telho, Arroio Grande, Matarazzo metamorphic complexes, and the Arroio Pedrado Gneisses. The first is composed of low to medium-grade metasedimentary rocks. Metasiliciclastic schists and marbles constitute the second, with serpentinites, magnesian schists, amphibolites, and metagabbros. The Matarazzo Complex comprises pure and siliceous dolomitic marble, metadolerite, and metagabbro. Arroio Pedrado unit comprises granodioritic to monzogranitic augen-gneisses. The rocks of the complexes were poly-deformed and intruded by high-K calc-alkaline peraluminous and metaluminous granitoids. The Pedro Osório, Arroio Grande, and Cerro Amaro dextral shear zones delimited the domain to the north. To the south and east, the units of the Jaguarão Domain were covered by coastal plain sediments. In gravimetric maps, the domain shows a high-density relief in contrast with the rocks of the granite belt (Pelotas Batholith). U-Pb zircon data from garnet-muscovite granites present crystallization ages of 587–568 Ma, which point to a widespread Ediacaran magmatism in the northern Punta del Este Terrane. U-Pb zircon provenance data of the metasedimentary sequences indicate main Meso- to Paleoproterozoic contribution, with subordinate Tonian to Cryogenian age populations. The geochronological results of the supracrustal rocks indicate a sedimentary deposition in an extensional setting, in which posterior deformation and metamorphism/magmatism compatible with a syn-orogenic setting in the context of the Dom Feliciano Belt framework.
DOI: 10.6084/m9.figshare.23635078.v1
title: Unveiling the stratigraphy of the northern Punta del Este Terrane (Jaguarão Domain) and its role in the Neoproterozoic tectonic evolution of the Dom Feliciano Belt (southern Brazil and Uruguay)

description: The Punta del Este Terrane, located in southeastern Brazil and eastern Uruguay, is a tectonostratigraphic terrane recognized in the Dom Feliciano Belt, the southern segment of Mantiqueira Province (Brasiliano Orogen). The northern sector of the terrane, called here by the Jaguarão Domain, is constituted by Arroio Telho, Arroio Grande, Matarazzo metamorphic complexes, and the Arroio Pedrado Gneisses. The first is composed of low to medium-grade metasedimentary rocks. Metasiliciclastic schists and marbles constitute the second, with serpentinites, magnesian schists, amphibolites, and metagabbros. The Matarazzo Complex comprises pure and siliceous dolomitic marble, metadolerite, and metagabbro. Arroio Pedrado unit comprises granodioritic to monzogranitic augen-gneisses. The rocks of the complexes were poly-deformed and intruded by high-K calc-alkaline peraluminous and metaluminous granitoids. The Pedro Osório, Arroio Grande, and Cerro Amaro dextral shear zones delimited the domain to the north. To the south and east, the units of the Jaguarão Domain were covered by coastal plain sediments. In gravimetric maps, the domain shows a high-density relief in contrast with the rocks of the granite belt (Pelotas Batholith). U-Pb zircon data from garnet-muscovite granites present crystallization ages of 587–568 Ma, which point to a widespread Ediacaran magmatism in the northern Punta del Este Terrane. U-Pb zircon provenance data of the metasedimentary sequences indicate main Meso- to Paleoproterozoic contribution, with subordinate Tonian to Cryogenian age populations. The geochronological results of the supracrustal rocks indicate a sedimentary deposition in an extensional setting, in which posterior deformation and metamorphism/magmatism compatible with a syn-orogenic setting in the context of the Dom Feliciano Belt framework.
DOI: 10.6084/m9.figshare.23540010
title: Triassic gypsum layers in Keban Metamorphics, eastern Tauride Belt, Southeastern Turkey: New data about Triassic rifting in northern Tethys margin

description: A gypsum interlayer with 100 m thick was identified within the Early-Middle Triassic shelf type clastic and carbonates of the Keban Metamorphics, along the shore of the Fırat River, ~500 m west of Keban district (Elazığ, southeast Turkey). Gypsum layers have thickness of 15–50 cm, and exhibit the original sedimentary bedding intercalated with dolomitic carbonate rocks. They were subjected to hydrothermal alteration related to late Cretaceous magmatic intrusions. Hydrothermal activity caused the dissolution and recrystallization of gypsum, as well as occurrences of secondary gypsum, elemental sulphur and quartz (amethyst). The geochemical (trace element and sulphur and oxygen isotope) compositions of gypsum and dolomites indicate typical marine evaporite compositions. The δ<sup>34</sup>S and δ<sup>18</sup>O values of the Keban gypsum correspond to Early Triassic evaporites, based on Early-Middle Triassic seawater sulphate composition. Keban gypsum represents Triassic rifting along the northeastern margin of Gondwana and exhibits similar age (Early-Middle Triassic) and palaeogeographic setting to Kemer (Antalya, Turkey) gypsum, associated with opening of the Neotethyan Ocean between Gondwana (Pangea) and the Cimmerian microcontinent. However, the Keban gypsum is different from the late Triassic Honaz-Denizli and Nusaybin-Gaziantep gypsum representing the southern margin of the Paleo-Tethys Ocean (Tauride Belt) and southern margin of the Neo-Tethys (Arabian Plate). The presence of gypsum is observed on both passive continental margins of Neo-Tethys means that their deposition took place before the subduction of the Neo-Tethys Ocean during Late Triassic-Jurassic period.
DOI: 10.6084/m9.figshare.23566950
title: Early Jurassic tectonomagmatic stages in the western North Patagonian Region, Argentina: insights from the Comallo volcanic sedimentary complex

description: The Comallo volcanic sedimentary Complex in the western North Patagonian Region begins with the development and collapse of Plinian-type eruptive columns of rhyolitic and dacitic composition associated to vent at approximately 192 Ma. Synchronous deposits are originating in alluvial and lagoon environments. The ƐHf(t) values obtained in zircon grains indicate possible derivation by melting Paleoproterozoic and Mesoproterozoic crust. Upwards in the sequence appears basaltic and andesitic lava flows, as well as pyroclastic deposits produced during the eruptions. This volcanism is related to sustained pyroclastic fountains with a U-Pb zircon age of 185 Ma. The volcanic rocks were possibly derived from Paleoproterozoic, Mesoproterozoic, and Neoproterozoic crust affected by juvenile magmas in volcanic-arc environments. Chemical and isotopic variations are mainly due to changes in the local and regional tectonic conditions, the thickness of the continental crust, as well as the dip and age of the subducted oceanic crust.
DOI: 10.6084/m9.figshare.23566950.v1
title: Early Jurassic tectonomagmatic stages in the western North Patagonian Region, Argentina: insights from the Comallo volcanic sedimentary complex

description: The Comallo volcanic sedimentary Complex in the western North Patagonian Region begins with the development and collapse of Plinian-type eruptive columns of rhyolitic and dacitic composition associated to vent at approximately 192 Ma. Synchronous deposits are originating in alluvial and lagoon environments. The ƐHf(t) values obtained in zircon grains indicate possible derivation by melting Paleoproterozoic and Mesoproterozoic crust. Upwards in the sequence appears basaltic and andesitic lava flows, as well as pyroclastic deposits produced during the eruptions. This volcanism is related to sustained pyroclastic fountains with a U-Pb zircon age of 185 Ma. The volcanic rocks were possibly derived from Paleoproterozoic, Mesoproterozoic, and Neoproterozoic crust affected by juvenile magmas in volcanic-arc environments. Chemical and isotopic variations are mainly due to changes in the local and regional tectonic conditions, the thickness of the continental crust, as well as the dip and age of the subducted oceanic crust.
DOI: 10.6084/m9.figshare.23540010.v1
title: Triassic gypsum layers in Keban Metamorphics, eastern Tauride Belt, Southeastern Turkey: New data about Triassic rifting in northern Tethys margin

description: A gypsum interlayer with 100 m thick was identified within the Early-Middle Triassic shelf type clastic and carbonates of the Keban Metamorphics, along the shore of the Fırat River, ~500 m west of Keban district (Elazığ, southeast Turkey). Gypsum layers have thickness of 15–50 cm, and exhibit the original sedimentary bedding intercalated with dolomitic carbonate rocks. They were subjected to hydrothermal alteration related to late Cretaceous magmatic intrusions. Hydrothermal activity caused the dissolution and recrystallization of gypsum, as well as occurrences of secondary gypsum, elemental sulphur and quartz (amethyst). The geochemical (trace element and sulphur and oxygen isotope) compositions of gypsum and dolomites indicate typical marine evaporite compositions. The δ<sup>34</sup>S and δ<sup>18</sup>O values of the Keban gypsum correspond to Early Triassic evaporites, based on Early-Middle Triassic seawater sulphate composition. Keban gypsum represents Triassic rifting along the northeastern margin of Gondwana and exhibits similar age (Early-Middle Triassic) and palaeogeographic setting to Kemer (Antalya, Turkey) gypsum, associated with opening of the Neotethyan Ocean between Gondwana (Pangea) and the Cimmerian microcontinent. However, the Keban gypsum is different from the late Triassic Honaz-Denizli and Nusaybin-Gaziantep gypsum representing the southern margin of the Paleo-Tethys Ocean (Tauride Belt) and southern margin of the Neo-Tethys (Arabian Plate). The presence of gypsum is observed on both passive continental margins of Neo-Tethys means that their deposition took place before the subduction of the Neo-Tethys Ocean during Late Triassic-Jurassic period.
DOI: 10.6084/m9.figshare.23735249
title: Cadomian Iron ore bodies in the Bafq-Saghand metallogenic province, Iran: genetic constraints from field observations and laser ablation ICP-MS mineral studies

description: The volcano-sedimentary unit in the Bafq-Saghand metallogenic province (BSMP) of Central Iran hosts various types of iron ore bodies including Fe-oxides with jaspilite beds, Mn-dominated iron lenses, magnetite-apatite lenses, and massive magnetite-apatite deposits. The Fe-oxides with jaspilite beds and Mn-dominated iron lenses have limited outcrops and show volcano-sedimentary features in the field. The main features are the presence of syngenetic submarine rhyolite-hosted magnetite, lamination and bedding of iron ore body, jaspilite and dropstone. Volcano-sedimentary origin is testified by magnetite composition showing affinity to BIF and positive Eu and negative Ce anomaly. Magnetite-apatite lenses and massive magnetite-apatite deposits that having spatio-temporal correlation form the main economically important deposits. They have magmatic to high-temperature hydrothermal field characteristics (lava flow-like ore bodies, the presence of degassing tubes in ore bodies, occurrence of brecciated texture and developed Na-Ca metasomatism). Mineral composition (enrichment of LREE, magnetite and apatite negative Eu anomaly and Co/Ni &lt; 1 in pyrites) is in agreement with magmatic and high temperature hydrothermal origin. We propose a hydrous and oxidizing mantle derived iron-rich basic magma that formed in an extensional post-collisional setting for origin of Kiruna-type IOA ore bodies of the BSMP. Fe-oxides with jaspilite beds and Mn-dominated iron lenses resulted from degassing or eruption of iron-rich magma during Ediacaran in a submarine environment. However, magnetite-apatite lenses and massive magnetite-apatite deposits formed from an Early Cambrian magmatic-hydrothermal transition system from a magnetite-crystal mush zone.
DOI: 10.6084/m9.figshare.23735249.v1
title: Cadomian Iron ore bodies in the Bafq-Saghand metallogenic province, Iran: genetic constraints from field observations and laser ablation ICP-MS mineral studies

description: The volcano-sedimentary unit in the Bafq-Saghand metallogenic province (BSMP) of Central Iran hosts various types of iron ore bodies including Fe-oxides with jaspilite beds, Mn-dominated iron lenses, magnetite-apatite lenses, and massive magnetite-apatite deposits. The Fe-oxides with jaspilite beds and Mn-dominated iron lenses have limited outcrops and show volcano-sedimentary features in the field. The main features are the presence of syngenetic submarine rhyolite-hosted magnetite, lamination and bedding of iron ore body, jaspilite and dropstone. Volcano-sedimentary origin is testified by magnetite composition showing affinity to BIF and positive Eu and negative Ce anomaly. Magnetite-apatite lenses and massive magnetite-apatite deposits that having spatio-temporal correlation form the main economically important deposits. They have magmatic to high-temperature hydrothermal field characteristics (lava flow-like ore bodies, the presence of degassing tubes in ore bodies, occurrence of brecciated texture and developed Na-Ca metasomatism). Mineral composition (enrichment of LREE, magnetite and apatite negative Eu anomaly and Co/Ni &lt; 1 in pyrites) is in agreement with magmatic and high temperature hydrothermal origin. We propose a hydrous and oxidizing mantle derived iron-rich basic magma that formed in an extensional post-collisional setting for origin of Kiruna-type IOA ore bodies of the BSMP. Fe-oxides with jaspilite beds and Mn-dominated iron lenses resulted from degassing or eruption of iron-rich magma during Ediacaran in a submarine environment. However, magnetite-apatite lenses and massive magnetite-apatite deposits formed from an Early Cambrian magmatic-hydrothermal transition system from a magnetite-crystal mush zone.
DOI: 10.6084/m9.figshare.23551421
title: U-Pb and Ar-Ar geochronological constraints on timing of deformation and peak metamorphism in the Central Africa Orogenic Belt, Yaoundé Domain, Cameroon

description: The Central Africa Orogenic Belt (CAOB) and the Transaharan and Sergipano belts form a major West Gondwana suturing orogen affected by D<sub>1</sub>–D<sub>4</sub> compressional deformation. Microstructural observations, mineral chemistry, zircon, and titanite laser ablation ICP-MS U-Pb dating, and biotite, muscovite, and K-feldspar <sup>40</sup>Ar-<sup>39</sup>Ar age data are used to constrain the timing of rocks formation and D<sub>1</sub>–D<sub>4</sub> events in the Yaoundé Domain of the CAOB, as well as characterize the Neoproterozoic-Cambrian transition. The Yaoundé Domain rocks were deposited on a pre-Neoproterozoic structure that was overprinted by a c. 1000–700 Ma mega arc/back-arc system and related Tonian to Ediacaran magmatism. Older U-Pb dates (1000 up to 2700 Ma) are inheritance from a pre-existing crust. The D<sub>1</sub>–D<sub>4</sub> compressional events relate to the inversion of the c. 1000–700 Ma mega-rift system. New dates at c. 700 Ma, c. 630 Ma, c. 580–555 Ma constrain the timing of D<sub>1</sub>, D<sub>2</sub>, D<sub>3</sub>+D<sub>4</sub>, respectively. The peak of accompanying metamorphism occurred at 614 ± 4 Ma during D<sub>2</sub>. This was followed by a c. 115 Ma period of deformation-driven crustal exhumation and cooling that extended into the Cambrian. New data document short episodes of rapid denudation and cooling (up to 0.9 km/Ma and 40°C/Ma at c. 578 Ma in gneiss and up to 5 km/Ma and &gt;125°C/Ma at c. 555 Ma in micaschist). It is proposed that the CAOB and correlative belts are parts of the orogenic hinterland formed from accretion and collision between the West African Craton and the Sahara Metacraton precursor. The correlated belts appear to represent the result of a protracted tectono-metamorphic and magmatic process that started in late Mesoproterozoic (c. 1167 Ma) and continued through the Neoproterozoic to the Cambrian (c. 500 Ma).