cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.6429083.v1
title: Decomposition of CH<sub>4</sub> hydrate: effects of temperature and salt from molecular simulations

description: We report a molecular simulation study to investigate the decomposition of CH<sub>4</sub> hydrate. The decomposition is revealed to be stepwise from the outer to inner layers. Upon decomposition, the number of 5<sup>12</sup>6<sup>2</sup> cages drops faster than that of 5<sup>12</sup> cages. CH<sub>4</sub> molecules are released, dissolved in water, then enter gas phase; meanwhile, CH<sub>4</sub> bubbles may form particularly at a high temperature. Based on the variations of potential energy, order parameter, cage number and density profile of CH<sub>4</sub> at different temperatures (300, 330, 345 and 360 K) and NaCl concentrations (0, 0.6 and 1.8 M), the effects of temperature and salt are comprehensively examined. With increasing temperature, the decomposition in pure water is accelerated, whereas two opposite effects are observed in NaCl solution. At 330 K, the decomposition is retarded at a higher NaCl concentration, as attributed to the reduced CH<sub>4</sub> solubility in NaCl solution and the participation of ions in cage formation; at 360 K, however, the decomposition is accelerated when NaCl concentration increases due to bubble formation. This simulation study provides microscopic insights into hydrate decomposition, which might be useful towards the optimisation of operating conditions for CH<sub>4</sub> production from CH<sub>4</sub> hydrate.
DOI: 10.6084/m9.figshare.6429065
title: Dataset for: ADAPTATION OF SPATIO-TEMPORAL CONVERGENT PROPERTIES IN CENTRAL VESTIBULAR NEURONS IN MONKEYS

description: The spatio-temporal convergent (STC) response occurs in central vestibular cells when dynamic and static inputs are activated. The functional significance of STC behavior is not fully understood. Whether STC is a property of some specific central vestibular neurons, or whether it is a response that can be induced in any neuron at some frequencies is unknown. It is also unknown how the change in orientation of otolith polarization vector (orientation adaptation) effects on STC behavior. A new complex model, that includes inputs with regular and irregular discharges from both canal and otolith afferents, was applied to experimental data to determine how many convergent inputs are sufficient to explain the STC behavior as a function of frequency and orientation adaptation. The canal-otolith and otolith-only neurons were recorded in the vestibular nuclei of three monkeys. About 42% (11/26 canal-otolith and 3/7 otolith-only) neurons showed typical STC responses at least at one frequency before orientation adaptation. After orientation adaptation in side-down head position for 2 hours some canal-otolith and otolith-only neurons altered their STC responses. Thus, STC is a property of weights of the regular and irregular vestibular afferent inputs to central vestibular neurons which appear and/or disappear based on stimulus frequency and orientation adaptation. This indicates that STC properties are more common for central vestibular neurons than previously assumed. While gravity-dependent adaptation is also critically dependent on stimulus frequency and orientation adaptation, we propose that STC behavior is also linked to the neural network responsible for localized contextual learning during gravity-dependent adaptation.
DOI: 10.6084/m9.figshare.6428813
title: Cholesterol impairs autophagy-mediated clearance of amyloid beta while promoting its secretion

description: Macroautophagy/autophagy failure with the accumulation of autophagosomes is an early neuropathological feature of Alzheimer disease (AD) that directly affects amyloid beta (Aβ) metabolism. Although loss of presenilin 1 function has been reported to impair lysosomal function and prevent autophagy flux, the detailed mechanism leading to autophagy dysfunction in AD remains to be elucidated. The resemblance between pathological hallmarks of AD and Niemann-Pick Type C disease, including endosome-lysosome abnormalities and impaired autophagy, suggests cholesterol accumulation as a common link. Using a mouse model of AD (APP-PSEN1-SREBF2 mice), expressing chimeric mouse-human amyloid precursor protein with the familial Alzheimer Swedish mutation (APP695swe) and mutant presenilin 1 (PSEN1-dE9), together with a dominant-positive, truncated and active form of SREBF2/SREBP2 (sterol regulatory element binding factor 2), we demonstrated that high brain cholesterol enhanced autophagosome formation, but disrupted its fusion with endosomal-lysosomal vesicles. The combination of these alterations resulted in impaired degradation of Aβ and endogenous MAPT (microtubule associated protein tau), and stimulated autophagy-dependent Aβ secretion. Exacerbated Aβ-induced oxidative stress in APP-PSEN1-SREBF2 mice, due to cholesterol-mediated depletion of mitochondrial glutathione/mGSH, is critical for autophagy induction. In agreement, <i>in vivo</i> mitochondrial GSH recovery with GSH ethyl ester, inhibited autophagosome synthesis by preventing the oxidative inhibition of ATG4B deconjugation activity exerted by Aβ. Moreover, cholesterol-enrichment within the endosomes-lysosomes modified the levels and membrane distribution of RAB7A and SNAP receptors (SNAREs), which affected its fusogenic ability. Accordingly, in vivo treatment with 2-hydroxypropyl-β-cyclodextrin completely rescued these alterations, making it a potential therapeutic tool for AD.
DOI: 10.6084/m9.figshare.6428813.v1
title: Cholesterol impairs autophagy-mediated clearance of amyloid beta while promoting its secretion

description: Macroautophagy/autophagy failure with the accumulation of autophagosomes is an early neuropathological feature of Alzheimer disease (AD) that directly affects amyloid beta (Aβ) metabolism. Although loss of presenilin 1 function has been reported to impair lysosomal function and prevent autophagy flux, the detailed mechanism leading to autophagy dysfunction in AD remains to be elucidated. The resemblance between pathological hallmarks of AD and Niemann-Pick Type C disease, including endosome-lysosome abnormalities and impaired autophagy, suggests cholesterol accumulation as a common link. Using a mouse model of AD (APP-PSEN1-SREBF2 mice), expressing chimeric mouse-human amyloid precursor protein with the familial Alzheimer Swedish mutation (APP695swe) and mutant presenilin 1 (PSEN1-dE9), together with a dominant-positive, truncated and active form of SREBF2/SREBP2 (sterol regulatory element binding factor 2), we demonstrated that high brain cholesterol enhanced autophagosome formation, but disrupted its fusion with endosomal-lysosomal vesicles. The combination of these alterations resulted in impaired degradation of Aβ and endogenous MAPT (microtubule associated protein tau), and stimulated autophagy-dependent Aβ secretion. Exacerbated Aβ-induced oxidative stress in APP-PSEN1-SREBF2 mice, due to cholesterol-mediated depletion of mitochondrial glutathione/mGSH, is critical for autophagy induction. In agreement, <i>in vivo</i> mitochondrial GSH recovery with GSH ethyl ester, inhibited autophagosome synthesis by preventing the oxidative inhibition of ATG4B deconjugation activity exerted by Aβ. Moreover, cholesterol-enrichment within the endosomes-lysosomes modified the levels and membrane distribution of RAB7A and SNAP receptors (SNAREs), which affected its fusogenic ability. Accordingly, in vivo treatment with 2-hydroxypropyl-β-cyclodextrin completely rescued these alterations, making it a potential therapeutic tool for AD.
DOI: 10.6084/m9.figshare.6428732
title: Multicenter validation of [<sup>18</sup>F]-FDG PET and support-vector machine discriminant analysis in automatically classifying patients with amyotrophic lateral sclerosis versus controls

description: <i>Objective</i>: <sup>18</sup>F-Fluorodeoxyglucose (<sup>18</sup>F-FDG) positron emission tomography (PET) single-center studies using support vector machine (SVM) approach to differentiate amyotrophic lateral sclerosis (ALS) from controls have shown high overall accuracy on an individual patient basis using local <i>a priori</i> defined classifiers. The aim of the study was to validate the SVM accuracy on a multicentric level. <i>Methods</i>: A previously defined Belgian (BE) group of 175 ALS patients (61.9 ± 12.2 years, 120M/55F) and 20 screened healthy controls (62.4 ± 6.4 years, 12M/8F) was used to classify another large dataset from Italy (IT), consisting of 195 patients (63.2 ± 11.6 years, 117M/78F) and 40 controls (62 ± 14.4 years; 29M/11F) free of any neurological and psychiatric disorder who underwent whole-body <sup>18</sup>F-FDG PET-CT for lung cancer without any evidence of paraneoplastic symptoms. <sup>18</sup>F-FDG within-center group comparisons based on statistical parametric mapping (SPM) were performed and SVM classifiers based on the local training sets were applied to differentiate ALS from controls from the other centers. <i>Results</i>: SPM group analysis showed only minor differences between both ALS groups, indicating pattern consistency. SVM using BE data set as training, classified 183/193 ALS-IT correctly (accuracy of 94.8%). However, 35/40 CON-IT were misclassified as ALS (accuracy 12.5%). Furthermore, using IT data as training, ALS-BE could not be distinguished from CON-BE. Within-center SPM group analysis confirmed prefrontal hypometabolism in CON-IT versus CON-BE, indicating subclinical brain changes in patients undergoing oncological scanning. <i>Conclusion</i>: This multicenter study confirms that the <sup>18</sup>F-FDG ALS pattern is stable across centers. Furthermore, it highlights the importance of carefully selected controls, as subclinical frontal changes might be present in patients in an oncological setting.
DOI: 10.6084/m9.figshare.6428732.v1
title: Multicenter validation of [<sup>18</sup>F]-FDG PET and support-vector machine discriminant analysis in automatically classifying patients with amyotrophic lateral sclerosis versus controls

description: <i>Objective</i>: <sup>18</sup>F-Fluorodeoxyglucose (<sup>18</sup>F-FDG) positron emission tomography (PET) single-center studies using support vector machine (SVM) approach to differentiate amyotrophic lateral sclerosis (ALS) from controls have shown high overall accuracy on an individual patient basis using local <i>a priori</i> defined classifiers. The aim of the study was to validate the SVM accuracy on a multicentric level. <i>Methods</i>: A previously defined Belgian (BE) group of 175 ALS patients (61.9 ± 12.2 years, 120M/55F) and 20 screened healthy controls (62.4 ± 6.4 years, 12M/8F) was used to classify another large dataset from Italy (IT), consisting of 195 patients (63.2 ± 11.6 years, 117M/78F) and 40 controls (62 ± 14.4 years; 29M/11F) free of any neurological and psychiatric disorder who underwent whole-body <sup>18</sup>F-FDG PET-CT for lung cancer without any evidence of paraneoplastic symptoms. <sup>18</sup>F-FDG within-center group comparisons based on statistical parametric mapping (SPM) were performed and SVM classifiers based on the local training sets were applied to differentiate ALS from controls from the other centers. <i>Results</i>: SPM group analysis showed only minor differences between both ALS groups, indicating pattern consistency. SVM using BE data set as training, classified 183/193 ALS-IT correctly (accuracy of 94.8%). However, 35/40 CON-IT were misclassified as ALS (accuracy 12.5%). Furthermore, using IT data as training, ALS-BE could not be distinguished from CON-BE. Within-center SPM group analysis confirmed prefrontal hypometabolism in CON-IT versus CON-BE, indicating subclinical brain changes in patients undergoing oncological scanning. <i>Conclusion</i>: This multicenter study confirms that the <sup>18</sup>F-FDG ALS pattern is stable across centers. Furthermore, it highlights the importance of carefully selected controls, as subclinical frontal changes might be present in patients in an oncological setting.
DOI: 10.6084/m9.figshare.6428711
title: Seve terranes of the Kebnekaise Mts., Swedish Caledonides, and their amalgamation, accretion and affinity

description: A major allochthon of the Scandinavian Caledonides, the Seve belt has traditionally been considered to be derived from the rifted margin and continent-ocean transition (COT) of Baltica. However, geochronological results obtained from its inferred northern equivalent, the Kalak Nappe Complex (KNC), have been taken to indicate an exotic affinity of this complex and of also Seve terranes, an interpretation adopted in recent palaeogeographic models. In the Kebnekaise Mts., the COT is represented by the Kebnekaise terrane composed of amphibolitized dykes of gabbro and dolerite of depleted magma source and rare felsic and ultramafic rocks. Coronitic dolerite and gabbro with abundant rutile suggest high pressures before or during amalgamation with the underlying Mårma terrane, composed of quartzofeldspathic gneisses intruded by mafic and granitic rocks, the latter including a previously dated c. 845 Ma-old granite. The granite mingled with mildly alkaline dolerites chemically similar to transitional basalts of continental rifts. Following emplacement at shallow (andalusite stability) crustal levels, the igneous complex and host rocks underwent extensive deformation, metamorphism within the sillimanite-kyanite stability field and local migmatization. The Kebnekaise and Mårma terranes amalgamated in early Ordovician as indicated by the U-Pb age of 487±7 Ma obtained from titanite fabrics of deformed granite in thrust vicinity, and by <sup>40</sup>Ar-<sup>39</sup>Ar results. The pressure increase in both terranes suggests that amalgamation occurred during initial subduction and imbrication. Correlation of the Mårma terrane with the KNC is discussed. Results obtained in this study give no reason to ascribe an exotic affinity to the Seve terranes of the Kebnekaise Mts.
DOI: 10.6084/m9.figshare.6428711.v2
title: Seve terranes of the Kebnekaise Mts., Swedish Caledonides, and their amalgamation, accretion and affinity

description: A major allochthon of the Scandinavian Caledonides, the Seve belt has traditionally been considered to be derived from the rifted margin and continent-ocean transition (COT) of Baltica. However, geochronological results obtained from its inferred northern equivalent, the Kalak Nappe Complex (KNC), have been taken to indicate an exotic affinity of this complex and of also Seve terranes, an interpretation adopted in recent palaeogeographic models. In the Kebnekaise Mts., the COT is represented by the Kebnekaise terrane composed of amphibolitized dykes of gabbro and dolerite of depleted magma source and rare felsic and ultramafic rocks. Coronitic dolerite and gabbro with abundant rutile suggest high pressures before or during amalgamation with the underlying Mårma terrane, composed of quartzofeldspathic gneisses intruded by mafic and granitic rocks, the latter including a previously dated c. 845 Ma-old granite. The granite mingled with mildly alkaline dolerites chemically similar to transitional basalts of continental rifts. Following emplacement at shallow (andalusite stability) crustal levels, the igneous complex and host rocks underwent extensive deformation, metamorphism within the sillimanite-kyanite stability field and local migmatization. The Kebnekaise and Mårma terranes amalgamated in early Ordovician as indicated by the U-Pb age of 487±7 Ma obtained from titanite fabrics of deformed granite in thrust vicinity, and by <sup>40</sup>Ar-<sup>39</sup>Ar results. The pressure increase in both terranes suggests that amalgamation occurred during initial subduction and imbrication. Correlation of the Mårma terrane with the KNC is discussed. Results obtained in this study give no reason to ascribe an exotic affinity to the Seve terranes of the Kebnekaise Mts.
DOI: 10.6084/m9.figshare.6428711.v1
title: Seve terranes of the Kebnekaise Mts., Swedish Caledonides, and their amalgamation, accretion and affinity

description: A major allochthon of the Scandinavian Caledonides, the Seve belt has traditionally been considered to be derived from the rifted margin and continent-ocean transition (COT) of Baltica. However, geochronological results obtained from its inferred northern equivalent, the Kalak Nappe Complex (KNC), have been taken to indicate an exotic affinity of this complex and of also Seve terranes, an interpretation adopted in recent palaeogeographic models. In the Kebnekaise Mts., the COT is represented by the Kebnekaise terrane composed of amphibolitized dykes of gabbro and dolerite of depleted magma source and rare felsic and ultramafic rocks. Coronitic dolerite and gabbro with abundant rutile suggest high pressures before or during amalgamation with the underlying Mårma terrane, composed of quartzofeldspathic gneisses intruded by mafic and granitic rocks, the latter including a previously dated c. 845 Ma-old granite. The granite mingled with mildly alkaline dolerites chemically similar to transitional basalts of continental rifts. Following emplacement at shallow (andalusite stability) crustal levels, the igneous complex and host rocks underwent extensive deformation, metamorphism within the sillimanite-kyanite stability field and local migmatization. The Kebnekaise and Mårma terranes amalgamated in early Ordovician as indicated by the U-Pb age of 487±7 Ma obtained from titanite fabrics of deformed granite in thrust vicinity, and by <sup>40</sup>Ar-<sup>39</sup>Ar results. The pressure increase in both terranes suggests that amalgamation occurred during initial subduction and imbrication. Correlation of the Mårma terrane with the KNC is discussed. Results obtained in this study give no reason to ascribe an exotic affinity to the Seve terranes of the Kebnekaise Mts.
DOI: 10.6084/m9.figshare.6428702
title: Phytochemical characteristics of root volatiles and extracts of <i>Achillea collina</i> Becker genotypes

description: Recently, several publications revealed the presence of potentially active volatile substances in the roots of yarrow species. Though their specific function is not clear, they are supposed to have an important role in plant–environment interactions. In the present paper, chemical composition of hydrodistilled essential oil (EO), headspace (HS) volatiles and dichloromethane extracts (DE) of the roots of 10 different <i>Achillea collina</i> Becker accessions were analysed by GC-FID and GC-MS and compared. Volatility and solubility of active ingredients and the sensitivity of extraction methods resulted in different chemical compositions. Only a few of the main constituents (alismol, (E)-β-farnesene, β-sesquiphellandrene and neryl esters) were found in each extract type. In the EOs, the main compound was component with RI 1874 tentatively identified as heptadecen-7-one (28.9–43.0%). Albene (20.8–52.1%) and β-pinene (8.3–47.1%) were the most represented constituents among HS volatiles. The main and universal constituents of DEs were component with RI 1874 tentatively identified as heptadecen-7-one, linoleic acid, 2,4,6-decatrienoic acid piperideide, sterols (RI 3280, 3338 and 3360) and a triterpene (RI 3456) which together amounted 34.4–61.7% of the extracts.
DOI: 10.6084/m9.figshare.6428702.v1
title: Phytochemical characteristics of root volatiles and extracts of <i>Achillea collina</i> Becker genotypes

description: Recently, several publications revealed the presence of potentially active volatile substances in the roots of yarrow species. Though their specific function is not clear, they are supposed to have an important role in plant–environment interactions. In the present paper, chemical composition of hydrodistilled essential oil (EO), headspace (HS) volatiles and dichloromethane extracts (DE) of the roots of 10 different <i>Achillea collina</i> Becker accessions were analysed by GC-FID and GC-MS and compared. Volatility and solubility of active ingredients and the sensitivity of extraction methods resulted in different chemical compositions. Only a few of the main constituents (alismol, (E)-β-farnesene, β-sesquiphellandrene and neryl esters) were found in each extract type. In the EOs, the main compound was component with RI 1874 tentatively identified as heptadecen-7-one (28.9–43.0%). Albene (20.8–52.1%) and β-pinene (8.3–47.1%) were the most represented constituents among HS volatiles. The main and universal constituents of DEs were component with RI 1874 tentatively identified as heptadecen-7-one, linoleic acid, 2,4,6-decatrienoic acid piperideide, sterols (RI 3280, 3338 and 3360) and a triterpene (RI 3456) which together amounted 34.4–61.7% of the extracts.
DOI: 10.6084/m9.figshare.6428516
title: FIRI_new_2018_upload.xlsx

description: FIRI 2018 model, electron density profiles<br>
DOI: 10.6084/m9.figshare.6428516.v1
title: FIRI_new_2018_upload.xlsx

description: FIRI 2018 model, electron density profiles<br>
DOI: 10.6084/m9.figshare.6428486
title: Raw_data_the effect of wild breeders in cultured breeders.xlsx

description: This dataset is related to the monitoring of four consecutive spawning seasons of Senegalese sole mixed origin broodstocks in comparison with a purely cultured broodstock, evaluating the spawns and reproductive behaviour.
DOI: 10.6084/m9.figshare.6428486.v1
title: Raw_data_the effect of wild breeders in cultured breeders.xlsx

description: This dataset is related to the monitoring of four consecutive spawning seasons of Senegalese sole mixed origin broodstocks in comparison with a purely cultured broodstock, evaluating the spawns and reproductive behaviour.
DOI: 10.6084/m9.figshare.12840671.v4
title: Description of average kinematic curves of the lower limb in amateur runners at fixed speeds and adjusted to their anthropometric characteristics.

description: The data set comprises processed lower extremity running kinematics of 29 subjects in txt file format. The data were collected using a three-dimensional (3D) motion-capture system and an instrumented treadmill while every subject ran at a fixed speed determined by Froude number and a standarized speed of 11 km/hr wearing sports shoes.
DOI: 10.6084/m9.figshare.12840671
title: Description of average kinematic curves of the lower limb in amateur runners at fixed speeds and adjusted to their anthropometric characteristics.

description: The data set comprises processed lower extremity running kinematics of 29 subjects in txt file format. The data were collected using a three-dimensional (3D) motion-capture system and an instrumented treadmill while every subject ran at a fixed speed determined by Froude number and a standarized speed of 11 km/hr wearing sports shoes.
DOI: 10.6084/m9.figshare.6428060.v1
title: A collaborative service groups-based fuzzy QoS-aware manufacturing service composition using an extended flower pollination algorithm

description: This is the experimental data of the manuscript entitled "A collaborative service groups-based fuzzy QoS-aware manufacturing service composition using an extended flower pollination algorithm". All data are generated through computer simulation and saved in the file with txt format. The data are consistent with the real-world case. The “simulation data1_Fig. 5.txt” is used in Section 5.2. The experiments of increasing number of subtasks, ranging from 10 to 50, and the number of candidate manufacturing services is fixed at 20 share “simulation data2_Fig. 6. and Fig. 8.txt”candidate manufacturing services, ranging from 10 to 50, and the number of subtasks is fixed at 20 share “simulation data3_Fig. 7. and Fig. 9.txt”dataset.