cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.8082204
title: Hybridization of Fossil- and CO2-Based Routes for Ethylene Production using Renewable Energy

description: Dataset associated with the publication "Hybridization of Fossil- and CO<sub>2</sub>-Based Routes for Ethylene Production using Renewable Energy" by Iasonas Ioannou, Sebastiano C. D'Angelo, Antonio J. Martín, Javier Pérez-Ramírez, and Gonzalo Guillén-Gosálbez, available at https://doi.org/10.1002/cssc.202001312. The dataset includes the numeric data associated with most of the scenarios described in the main manuscript and in the Supporting Information (SI), as well as the tables presented in the main manuscript and in the SI converted in a machine-readable format. The structure of the dataset is here elucidated sheet by sheet: <strong>MS-Results</strong>: numerical values associated with the economic and environmental results included in both the main manuscript and the SI, for all the considered scenarios. The results include the total price for the assessed scenarios, with and without externalities, with uncertainty ranges, as well as the environmental results for human health, ecosystems, resources, and global warming potential (GWP). <strong>MS-Tables</strong>: table reported in the main manuscript associated with the price and breakeven point of four assessed scenarios dependent on different CO<sub>2</sub> source assumptions. <strong>SI-Tables-Economics</strong>: tables reported in the SI associated with the economic assessment of all the scenarios. <strong>SI-Tables-LCI</strong>: tables reported in the SI associated with the environmental assessment of all the scenarios. <strong>SI-Tables-AdditionalResults</strong>: tables reported in the SI associated with additional results presented in the work.
DOI: 10.5281/zenodo.8082748
title: The role of hydrogen in heavy transport to operate within planetary boundaries

description: Dataset associated with the publication "The role of hydrogen in heavy transport to operate within planetary boundaries" by Antonio Valente, Victor Tulus, Galán-Martín, Mark A. J. Huijbregts, and Gonzalo Guillén-Gosálbez, available at https://doi.org/10.1039/D1SE00790D. The dataset includes the numeric data associated with the plots described in the main manuscript, as well as the tables presented in the main manuscript converted in a machine-readable format. The structure of the dataset is here elucidated sheet by sheet: <strong>Tables</strong>: tables 3 and 4, as reported in the main manuscript, with evolution considered for the main technical parameters and the values of the parameters used in the baseline, best and worst scenario. <strong>Plots</strong>: numerical values associated with figures 2, 3, and 4, as reported in the main manuscript.
DOI: 10.5281/zenodo.8082747
title: The role of hydrogen in heavy transport to operate within planetary boundaries

description: Dataset associated with the publication "The role of hydrogen in heavy transport to operate within planetary boundaries" by Antonio Valente, Victor Tulus, Galán-Martín, Mark A. J. Huijbregts, and Gonzalo Guillén-Gosálbez, available at https://doi.org/10.1039/D1SE00790D. The dataset includes the numeric data associated with the plots described in the main manuscript, as well as the tables presented in the main manuscript converted in a machine-readable format. The structure of the dataset is here elucidated sheet by sheet: <strong>Tables</strong>: tables 3 and 4, as reported in the main manuscript, with evolution considered for the main technical parameters and the values of the parameters used in the baseline, best and worst scenario. <strong>Plots</strong>: numerical values associated with figures 2, 3, and 4, as reported in the main manuscript.
DOI: 10.5281/zenodo.8085799
title: Planetary boundaries analysis of Fischer-Tropsch Diesel for decarbonizing heavy-duty transport

description: Dataset associated with the publication "Planetary boundaries analysis of Fischer-Tropsch Diesel for decarbonizing heavy-duty transport" by Margarita A. Charalambous, Juan D. Medrano-Garcia, and Gonzalo Guillén-Gosálbez, available at https://doi.org/10.1016/B978-0-323-85159-6.50328-6. The dataset includes the numeric data required to plot all the figures embedded in the manuscript. The structure of the dataset is here elucidated sheet by sheet: <strong>LCA-Inventories:</strong> Inventory datasets used for life cycle assessment. Includes the inventory for the production of FT-diesel from CO<sub>2</sub> and H<sub>2</sub> sources investigated in this work, carbon dioxide from direct air capture (DAC), and point source coal power plant, as well as, the production of hydrogen from biomass and polymer electrolyte water electrolysis. Moreover, required adjustments to accommodation FT-diesel fuel in the truck transport activity are summarized. <strong>LCA-Total</strong>: numerical values associated with the total share of safe operating space for all the assessed control variables of the seven planetary boundaries quantified in the study, for all the considered scenarios. These values represent the data used to create Figure 2. <strong>LCA-Breakdown</strong>: numerical values associated with the breakdown of the environmental impacts for the studied scenarios, for three control variables (CO<sub>2</sub> concentration, and biosphere integrity). These values represent the data used to create Figure 3.
DOI: 10.5281/zenodo.8085800
title: Planetary boundaries analysis of Fischer-Tropsch Diesel for decarbonizing heavy-duty transport

description: Dataset associated with the publication "Planetary boundaries analysis of Fischer-Tropsch Diesel for decarbonizing heavy-duty transport" by Margarita A. Charalambous, Juan D. Medrano-Garcia, and Gonzalo Guillén-Gosálbez, available at https://doi.org/10.1016/B978-0-323-85159-6.50328-6. The dataset includes the numeric data required to plot all the figures embedded in the manuscript. The structure of the dataset is here elucidated sheet by sheet: <strong>LCA-Inventories:</strong> Inventory datasets used for life cycle assessment. Includes the inventory for the production of FT-diesel from CO<sub>2</sub> and H<sub>2</sub> sources investigated in this work, carbon dioxide from direct air capture (DAC), and point source coal power plant, as well as, the production of hydrogen from biomass and polymer electrolyte water electrolysis. Moreover, required adjustments to accommodation FT-diesel fuel in the truck transport activity are summarized. <strong>LCA-Total</strong>: numerical values associated with the total share of safe operating space for all the assessed control variables of the seven planetary boundaries quantified in the study, for all the considered scenarios. These values represent the data used to create Figure 2. <strong>LCA-Breakdown</strong>: numerical values associated with the breakdown of the environmental impacts for the studied scenarios, for three control variables (CO<sub>2</sub> concentration, and biosphere integrity). These values represent the data used to create Figure 3.
DOI: 10.5281/zenodo.8086270
title: Assessing the Environmental Potential of Hydrogen from Waste Polyethylene

description: Dataset associated with the publication "Assessing the Environmental Potential of Hydrogen from Waste Polyethylene" by Cecilia Salah, Selene Cobo, and Gonzalo Guillén-Gosálbez, available at https://doi.org/10.1016/B978-0-323-85159-6.50322-5. The dataset includes the numeric data used both in Figure 2 and Table 1 of the manuscript, in a machine-readable format. The structure of the dataset is here elucidated sheet by sheet: <strong>Fig2-endpoint-results-breakdown</strong>: numerical values associated with the total endpoint environmental impacts of the different technologies per impact category, broken down by process component. These values are used to generate Figure 2 of the main manuscript. <strong>Tab1-endpoint-results-total:</strong> numerical values associated with the total endpoint environmental impacts of the different technologies per impact category. These values as displayed in Table 1 of the main manuscript.
DOI: 10.5281/zenodo.8086271
title: Assessing the Environmental Potential of Hydrogen from Waste Polyethylene

description: Dataset associated with the publication "Assessing the Environmental Potential of Hydrogen from Waste Polyethylene" by Cecilia Salah, Selene Cobo, and Gonzalo Guillén-Gosálbez, available at https://doi.org/10.1016/B978-0-323-85159-6.50322-5. The dataset includes the numeric data used both in Figure 2 and Table 1 of the manuscript, in a machine-readable format. The structure of the dataset is here elucidated sheet by sheet: <strong>Fig2-endpoint-results-breakdown</strong>: numerical values associated with the total endpoint environmental impacts of the different technologies per impact category, broken down by process component. These values are used to generate Figure 2 of the main manuscript. <strong>Tab1-endpoint-results-total:</strong> numerical values associated with the total endpoint environmental impacts of the different technologies per impact category. These values as displayed in Table 1 of the main manuscript.
DOI: 10.6084/m9.figshare.22280911.v1
title: Records of Asiatic Black Bear (Ursus thibetanus japonicus) in Toyama City, Toyama Prefecture in 2021

description: 富山市の2021年のクマの出没件数は89件(4～12月)で，人身被害は7月に八尾地域で1件（軽傷1名）発生した。4～12月の地域別件数は、八尾地域と大沢野地域が20件を超し，それぞれ27件と22件で、大山地域は18件、婦中、細入、富山の3地域は5件以下であった．季節的な出没状況は,春・夏（4～8月）は49件,秋（9～12月）は40件であった。 過去(2005～20201年)のクマの出没件数と比較すると、2021年の春・夏（4～8月）の出没件数は比較的多く、秋は比較的少ない年であったと思われる。
DOI: 10.6084/m9.figshare.22280911
title: Records of Asiatic Black Bear (Ursus thibetanus japonicus) in Toyama City, Toyama Prefecture in 2021

description: 富山市の2021年のクマの出没件数は89件(4～12月)で，人身被害は7月に八尾地域で1件（軽傷1名）発生した。4～12月の地域別件数は、八尾地域と大沢野地域が20件を超し，それぞれ27件と22件で、大山地域は18件、婦中、細入、富山の3地域は5件以下であった．季節的な出没状況は,春・夏（4～8月）は49件,秋（9～12月）は40件であった。 過去(2005～20201年)のクマの出没件数と比較すると、2021年の春・夏（4～8月）の出没件数は比較的多く、秋は比較的少ない年であったと思われる。
DOI: 10.6084/m9.figshare.22280953
title: Elucidation of Bats in Arimine, Toyama, Japan

description: 富山県富山市有峰地域においてコウモリ類の捕獲調査を実施した．本調査では，キクガシラコウモリ <em>Rhinolophus ferrumequinum </em>，ヒメホオヒゲコウモリ <em>Myotis ikonnikovi</em> ，モモジロコウモリ <em>Myotis macrodactylus</em> ，ウサギコウモリ <em>Plecotus auritus </em>，コテングコウモリ <em>Murina ussuriensis </em>，ユビナガコウモリ <em>Miniopterus fuliginosus </em>の2目2科科5属6種を確認した．そのうちヒメホオヒゲコウモリ，コテングコウモリ，キクガシラコウモリでは，中手指関節の骨化の程度から幼獣個体を確認したため，有峰周辺で繁殖している可能性が高い．今後は，過去に記録があったが今回確認できなかった6種のコウモリ類についての生息確認調査が求められる。
DOI: 10.6084/m9.figshare.22280953.v1
title: Elucidation of Bats in Arimine, Toyama, Japan

description: 富山県富山市有峰地域においてコウモリ類の捕獲調査を実施した．本調査では，キクガシラコウモリ <em>Rhinolophus ferrumequinum </em>，ヒメホオヒゲコウモリ <em>Myotis ikonnikovi</em> ，モモジロコウモリ <em>Myotis macrodactylus</em> ，ウサギコウモリ <em>Plecotus auritus </em>，コテングコウモリ <em>Murina ussuriensis </em>，ユビナガコウモリ <em>Miniopterus fuliginosus </em>の2目2科科5属6種を確認した．そのうちヒメホオヒゲコウモリ，コテングコウモリ，キクガシラコウモリでは，中手指関節の骨化の程度から幼獣個体を確認したため，有峰周辺で繁殖している可能性が高い．今後は，過去に記録があったが今回確認できなかった6種のコウモリ類についての生息確認調査が求められる。
DOI: 10.25377/sussex.22341712.v1
title: [Dataset] The Crystal Structure of the Hsp90-LA1011 Complex and the Mechanism by which LA1011 may Improve the Prognosis of Alzheimer’s Disease

description: Data for paper published in <em>Biomolecules</em> <strong>2023</strong>, <em>13</em>(7), 105 <br> The data sets are the results for the ITC experiments investigating the interactions between Hsp90, FKBP51 and LA1011. A data set constitutes an ITC file from a heat of dilution or interaction experiment. Data sets are processed by using a pair of experiments represented by a heat of dilution and interaction pair that have the same date stamp at the front of the file name. <br> 'dil' in the filename denotes the heat of dilution. Heats of dilution are into buffer. After the date stamp the interacting partner proteins or small molecule is shown. <br> The data files require Origin software to access. <br> Abstract Functional changes in chaperone systems play a major role in the decline of cognition and contribute to neurological pathologies, such as Alzheimer’s disease (AD). While such a decline may occur naturally with age or with stress or trauma, the mechanisms involved have remained elusive. The current models suggest that amyloid-β (Aβ) plaque formation leads to the hyperphosphorylation of tau by a Hsp90-dependent process that triggers tau neurofibrillary tangle formation and neurotoxicity. Several co-chaperones of Hsp90 can influence the phosphorylation of tau, including FKBP51, FKBP52 and PP5. In particular, elevated levels of FKBP51 occur with age and stress and are further elevated in AD. Recently, the dihydropyridine LA1011 was shown to reduce tau pathology and amyloid plaque formation in transgenic AD mice, probably through its interaction with Hsp90, although the precise mode of action is currently unknown. Here, we present a co-crystal structure of LA1011 in complex with a fragment of Hsp90. We show that LA1011 can disrupt the binding of FKBP51, which might help to rebalance the Hsp90-FKBP51 chaperone machinery and provide a favourable prognosis towards AD. However, without direct evidence, we cannot completely rule out effects on other Hsp90-co-chaprone complexes and the mechanisms they are involved in, including effects on Hsp90 client proteins. Nonetheless, it is highly significant that LA1011 showed promise in our previous AD mouse models, as AD is generally a disease affecting older patients, where slowing of disease progression could result in AD no longer being life limiting. The clinical value of LA1011 and its possible derivatives thereof remains to be seen.
DOI: 10.25377/sussex.22341712
title: [Dataset] The Crystal Structure of the Hsp90-LA1011 Complex and the Mechanism by which LA1011 may Improve the Prognosis of Alzheimer’s Disease

description: Data for paper published in <em>Biomolecules</em> <strong>2023</strong>, <em>13</em>(7), 105 <br> The data sets are the results for the ITC experiments investigating the interactions between Hsp90, FKBP51 and LA1011. A data set constitutes an ITC file from a heat of dilution or interaction experiment. Data sets are processed by using a pair of experiments represented by a heat of dilution and interaction pair that have the same date stamp at the front of the file name. <br> 'dil' in the filename denotes the heat of dilution. Heats of dilution are into buffer. After the date stamp the interacting partner proteins or small molecule is shown. <br> The data files require Origin software to access. <br> Abstract Functional changes in chaperone systems play a major role in the decline of cognition and contribute to neurological pathologies, such as Alzheimer’s disease (AD). While such a decline may occur naturally with age or with stress or trauma, the mechanisms involved have remained elusive. The current models suggest that amyloid-β (Aβ) plaque formation leads to the hyperphosphorylation of tau by a Hsp90-dependent process that triggers tau neurofibrillary tangle formation and neurotoxicity. Several co-chaperones of Hsp90 can influence the phosphorylation of tau, including FKBP51, FKBP52 and PP5. In particular, elevated levels of FKBP51 occur with age and stress and are further elevated in AD. Recently, the dihydropyridine LA1011 was shown to reduce tau pathology and amyloid plaque formation in transgenic AD mice, probably through its interaction with Hsp90, although the precise mode of action is currently unknown. Here, we present a co-crystal structure of LA1011 in complex with a fragment of Hsp90. We show that LA1011 can disrupt the binding of FKBP51, which might help to rebalance the Hsp90-FKBP51 chaperone machinery and provide a favourable prognosis towards AD. However, without direct evidence, we cannot completely rule out effects on other Hsp90-co-chaprone complexes and the mechanisms they are involved in, including effects on Hsp90 client proteins. Nonetheless, it is highly significant that LA1011 showed promise in our previous AD mouse models, as AD is generally a disease affecting older patients, where slowing of disease progression could result in AD no longer being life limiting. The clinical value of LA1011 and its possible derivatives thereof remains to be seen.
DOI: 10.6084/m9.figshare.22649623
title: Check List of Birds in Toyama Prefecture

description: A comprehensive survey of the literature on birds in Toyama Prefecture was conducted, and a new catalog of birds recorded in the past in Toyama Prefecture was created. Based on the Toyama Prefecture Bird List published by the Wild Bird Society of Japan (2022), books published in and outside the prefecture that are widely distributed, papers published in academic journals, and published under the responsibility of wild bird-related organizations I used the journal of the association. As a result, records of 356 native species of 68 families of 22 orders of birds were confirmed. In addition, 5 species of alien species were recorded, and 361 species of birds were recorded in Toyama Prefecture. This catalog is a compilation of literature published in the form of general circulation by people who have observed wild birds in Toyama Prefecture in the past. Since there are some species that could not be reflected, it would be greatly appreciated if brothers and sisters who love wild birds widely update the catalog, using this catalog as a base.
DOI: 10.20387/bonares-0vy6-tx05
title: 13C enrichment in cover crop root channels and bulk soil after pulse labeling the cover crops with 13CO2

description: Winter cover crop mixtures were exposed to 13CO2 labeling with two pulses of three hours each on one day in autumn and with two pulses of three hours each on one day in spring. The 13C enrichment in cover crop root channels and bulk soil with and without a maize root was measured on samples taken 14 weeks after the spring labeling. 

Research domain: Soil Sciences

Research question: How much carbon in the soil (rhizosphere of maize and bulk soil) can be assigned to the 13C-labeled cover crops at maize BBCH35.
DOI: 10.13140/rg.2.2.35219.25126
title: GDP China Data (2004-2021) I manually sorted out the GDP data and GDP index of 30 provinces in China from 2004 to 2021, including the data of the secondary industry, tertiary industry and per capita GDP. Hope this helpful!
DOI: 10.18462/iir.thermag.2018.0019
title: Optimization of a layered regenerator inside a magnetocaloric cooling system using an evolutionary algorithm.

description: Magnetocaloric (MC) refrigeration systems have to implement MC Materials (MCM) with differentiated Curie temperatures (TC) inside a layered regenerator in order to reach temperature spans required for commercial applications. Magnetic and thermal interactions between MCM with different TC and the number of free parameters related to the dimensioning of the system lead to numerous computational difficulties to reach optimal designs. In this paper, we present an optimization process of a MC cooling system from the points of view of both thermal power density and exergy efficiency. A 3D magnetic - 2D thermal - 1D fluidic multiphysics numerical model of parallel plates Active Magnetic Regenerator (AMR) is used as an evaluation function in an evolutionary algorithm which is coupled with massively parallelized computing capabilities. The solutions are wanted to be resilient with respect to variable operating conditions. They converge towards an optimal design and without calculating the overall Pareto’s front.
DOI: 10.5281/zenodo.45831
title: Understanding And Improving The Efficiency Of Full Configuration Interaction Quantum Monte Carlo

description: Data and Python Scripts required to produce the figures in:

Understanding and Improving the Efficiency of Full Configuration Interaction Quantum Monte Carlo

http://arxiv.org/abs/1601.00865

Reanaylisis requires pyhande (part of the HANDE package) available from:

https://github.com/hande-qmc/hande.git

To reproduce the figures by reanalysing the data from scratch modify sys.path.append() in ./bin/Efficiency.py and in ./figure4/figure4.py. To point to hande_top_level_dir/tools.
DOI: 10.17632/4fycv9td56.2
title: 125 random task-graphs for multiprocessor task scheduling

description: For a fair evaluation, a set of 125 random task-graphs for multiprocessor task scheduling are presented in this data-set. We have the following three major parameters to differentiate the shape and structure of these randomly generated task-graphs: • Size (n): The first and most contributing parameter that is the number of nodes in the given task graph. We consider five different values as {32, 64, 128, 256, and 512}. • Communication-to-Computation Ratio (CCR): Another important parameter which present us how much a graph is communication or computation intensive. All the nodes’ weights were randomly chosen from a uniform distribution with mean equal to 50 time-instance, and all the edges’ weights are randomly selected from a uniform distribution with mean equal to average-computation-cost * CCR. We consider five different values of CCR as {0.1, 0.5, 1.0, 5.0, and 10.0}, where selecting 0.1 makes the graph highly computation-intensive while 10.0 makes it highly communication-intensive. • Parallelism: Third important parameter that is the average number of children for each task in the task-graph which contributes to the connectivity of the resulted task-graph. The higher parallelism, the higher connected graph. We considered five different values of parallelism as {3, 5, 10, 15, and 20}.
DOI: 10.34696/nka3-6r64
title: Optically-generated Overhauser dynamic nuclear polarization: A numerical analysis

description: Supporting data to publication, numerical data for all simulations shown.

Publication abstract:
Recently, an alternative approach to dynamic nuclear polarization (DNP) in the liquid state was introduced using optical illumination instead of microwave pumping. By exciting a suitable dye to the triplet state which undergoes a diffusive encounter with a persistent radical forming a quartet-doublet pair in the encounter complex, dynamic electron polarization (DEP) is generated via the radical-triplet pair mechanism. Subsequent cross-relaxation generates nuclear polarization without the need for microwave saturation of the electronic transitions. Here, we present a theoretical justification for the initial experimental results by means of numerical simulations. These allow investigation of the effects of various experimental parameters, such as radical and dye concentrations, sample geometry, and laser power, on the DNP enhancement factors, providing targets for experimental optimization. It is predicted that reducing the sample volume will result in larger enhancements by permitting a higher concentration of triplets in a sample of increased optical density. We also explore the effects of the pulsed laser rather than continuous-wave illumination, rationalizing the failure to observe the optical DNP effect under illumination conditions common to DEP experiments. Examining the influence of the illumination duty cycle, the conditions necessary to permit the use of pulsed illumination without compromising signal enhancement are determined, which may reduce undesirable laser heating effects. This first simulation of the optical DNP method therefore underpins the further development of the technology.