cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.6866819
title: Data set related to the manuscript "Understanding the chemical shifts of aqueous electrolyte species adsorbed in carbon nanopores"

description: Graphical files in the agr format for all the figures in the manuscript entitled "Understanding the chemical shifts of aqueous electrolyte species adsorbed in carbon nanopores". Examples of input files for the density functional theory, lattice and molecular dynamics simulations are also provided.
DOI: 10.6084/m9.figshare.14697338.v1
title: Innovative conversion of food waste into biofuel in integrated waste management system

description: Pursuance of the strong motivation in combating climate change and energy security as well as the desired shift toward biofuels from food waste as a renewable energy sources offers opportunities for the substitution of fossil fuels, thus contributing to better waste conversion in a more sustainable manner. This study reports on the current situation of biofuel production, hypothetical barriers of the food waste feedstock, technology readiness and conversion, policies support, demand of the biofuels, community involvement and additional value creation in the economic sector. Meanwhile, extensive research in laboratory and pilot scale for biofuel production from food waste are reported in this article presenting a major barrier in constructing smart facilities integrating food waste processing and biofuel plant technology, metabolic pathway involved and the policy uncertainty impeding the investment in the large scale. It is worth addressing that this is the first study that provides a better understanding on the factors influencing the viability of biofuel industry utilizing mainly food waste as feedstock. The information offers a new horizon to the government and potential investors in the future development of biofuels from food waste of municipal solid waste. HighlightsFood wastes is one of the most viable feedstock for domestic biofuel productionFood wastes are accounted of 70% of overall weight of MSWKey advances and barriers of food wastes for biofuel production are reviewed.Technology readiness of food waste for biofuel production are assessed.Economy, environmental and social impacts of biofuel from food waste are presented. Food wastes is one of the most viable feedstock for domestic biofuel production Food wastes are accounted of 70% of overall weight of MSW Key advances and barriers of food wastes for biofuel production are reviewed. Technology readiness of food waste for biofuel production are assessed. Economy, environmental and social impacts of biofuel from food waste are presented.
DOI: 10.6084/m9.figshare.14697338
title: Innovative conversion of food waste into biofuel in integrated waste management system

description: Pursuance of the strong motivation in combating climate change and energy security as well as the desired shift toward biofuels from food waste as a renewable energy sources offers opportunities for the substitution of fossil fuels, thus contributing to better waste conversion in a more sustainable manner. This study reports on the current situation of biofuel production, hypothetical barriers of the food waste feedstock, technology readiness and conversion, policies support, demand of the biofuels, community involvement and additional value creation in the economic sector. Meanwhile, extensive research in laboratory and pilot scale for biofuel production from food waste are reported in this article presenting a major barrier in constructing smart facilities integrating food waste processing and biofuel plant technology, metabolic pathway involved and the policy uncertainty impeding the investment in the large scale. It is worth addressing that this is the first study that provides a better understanding on the factors influencing the viability of biofuel industry utilizing mainly food waste as feedstock. The information offers a new horizon to the government and potential investors in the future development of biofuels from food waste of municipal solid waste. HighlightsFood wastes is one of the most viable feedstock for domestic biofuel productionFood wastes are accounted of 70% of overall weight of MSWKey advances and barriers of food wastes for biofuel production are reviewed.Technology readiness of food waste for biofuel production are assessed.Economy, environmental and social impacts of biofuel from food waste are presented. Food wastes is one of the most viable feedstock for domestic biofuel production Food wastes are accounted of 70% of overall weight of MSW Key advances and barriers of food wastes for biofuel production are reviewed. Technology readiness of food waste for biofuel production are assessed. Economy, environmental and social impacts of biofuel from food waste are presented.
DOI: 10.6084/m9.figshare.15048007
title: Health effects of WiFi radiation: a review based on systematic quality evaluation

description: Although WiFi contributes little to total radiofrequency electromagnetic field (RF-EMF) exposure in our everyday environment, concern has raised whether this specific type of modulated RF-EMF causes health problems. The aim of this review is to evaluate all types of studies that investigated biological and health effects of WiFi exposure and fulfilled basic quality criteria. Eligible for inclusion were epidemiological, human experimental, <i>in vivo</i> and <i>in vitro</i> studies using realistic WiFi exposure settings. We conducted a systematic literature search for all papers published between January 1997 and August 2020 followed by a quality review addressing blinding and dosimetry in experimental studies and various types of biases in epidemiological studies. All studies fulfilling the quality criteria were descriptively summarized in terms of observation or absence of associations. From 1385 articles identified by the literature search, 23 fulfilled basic quality criteria: 6 epidemiological papers, 6 human experimental articles, 9 <i>in vivo</i> articles, and 2 <i>in vitro</i> articles. Whereas <i>in vivo</i> and <i>in vitro</i> studies applied exposure levels up to 4 W/kg, human studies dealt with exposure levels several orders of magnitude below the ICNIRP guidelines, which are typical for WiFi exposure situations in the everyday environment. Numerous outcomes ranging from biological markers to symptoms were mostly found not to be associated with WiFi exposure. Sporadic findings were not consistent in terms of outcomes or exposure-response associations. This review based on a systematic literature search and quality evaluation does not suggest detrimental health effects from WiFi exposure below regulatory limits.
DOI: 10.6084/m9.figshare.15048007.v1
title: Health effects of WiFi radiation: a review based on systematic quality evaluation

description: Although WiFi contributes little to total radiofrequency electromagnetic field (RF-EMF) exposure in our everyday environment, concern has raised whether this specific type of modulated RF-EMF causes health problems. The aim of this review is to evaluate all types of studies that investigated biological and health effects of WiFi exposure and fulfilled basic quality criteria. Eligible for inclusion were epidemiological, human experimental, <i>in vivo</i> and <i>in vitro</i> studies using realistic WiFi exposure settings. We conducted a systematic literature search for all papers published between January 1997 and August 2020 followed by a quality review addressing blinding and dosimetry in experimental studies and various types of biases in epidemiological studies. All studies fulfilling the quality criteria were descriptively summarized in terms of observation or absence of associations. From 1385 articles identified by the literature search, 23 fulfilled basic quality criteria: 6 epidemiological papers, 6 human experimental articles, 9 <i>in vivo</i> articles, and 2 <i>in vitro</i> articles. Whereas <i>in vivo</i> and <i>in vitro</i> studies applied exposure levels up to 4 W/kg, human studies dealt with exposure levels several orders of magnitude below the ICNIRP guidelines, which are typical for WiFi exposure situations in the everyday environment. Numerous outcomes ranging from biological markers to symptoms were mostly found not to be associated with WiFi exposure. Sporadic findings were not consistent in terms of outcomes or exposure-response associations. This review based on a systematic literature search and quality evaluation does not suggest detrimental health effects from WiFi exposure below regulatory limits.
DOI: 10.18419/darus-2258/1
title: fluct_diff_react_system.py

description: :unav
DOI: 10.18419/darus-2258/2
title: coulomb_gas_md_hist.dat

description: :unav
DOI: 10.18419/darus-2258/3
title: start_sims_size.sh

description: :unav
DOI: 10.18419/darus-2258/4
title: loaded.pvsm

description: :unav
DOI: 10.18419/darus-2258/5
title: measure_time_system_size.sh

description: :unav
DOI: 10.18419/darus-2258/6
title: fluctuating_reactive_ek.ipynb

description: :unav
DOI: 10.18419/darus-2258/7
title: fluctuating_reactive_ek_validation.ipynb

description: :unav
DOI: 10.18419/darus-2258/8
title: reaction_diffusion_fluctuation.py

description: :unav
DOI: 10.18419/darus-2258/9
title: react_fig.dat

description: :unav
DOI: 10.18419/darus-2258/10
title: ideal_gas_md_hist.dat

description: :unav
DOI: 10.18419/darus-2258/11
title: base_version

description: :unav
DOI: 10.18419/darus-2258/12
title: reactions.patch

description: :unav
DOI: 10.18419/darus-2258/13
title: measure_time_system_size_gpu.sh

description: :unav
DOI: 10.18419/darus-2258/14
title: speed_test.py

description: :unav
DOI: 10.18419/darus-2258/15
title: poisson.py

description: :unav
DOI: 10.18419/darus-2258/16
title: timings_scaling.tar

description: :unav
DOI: 10.18419/darus-2258/17
title: plot_system_size_scaling.py

description: :unav
DOI: 10.18419/darus-2258
title: Replication data of C6 group for: "A thermalized electrokinetics model including stochastic reactions suitable for multiscale simulations of reaction-advection-diffusion systems"

description: All primary data files of measurements and processed data of the journal article mentioned under related publications from C6 group can be found here. The data is structured according to figures and schemes in the research article and contains the following data types: text files, .ipynb (jupyter notebooks), .py (python files)
DOI: 10.5281/zenodo.6337651
title: Data set for phase-field studies in multi-crack-seal veins in quartz microstructures

description: The numerical data in this repository consists of the simulation data of multi-crack-seak syntaxial quartz vein formation. The simulations were performed using the software package "Pace3D (v. 2.5.1)". The simulation data shows intermediate fracturing and growth stages and was converted from Pace3D output data format to VTK data format. The VTK files can be visualized using open source software packages like Paraview. Some data files in the subfolders are also compressed (file format *.gz). For visualization the data has to be decompressed with e.g. gzip or 7zip.
DOI: 10.6084/m9.figshare.20338695
title: geneticin-sars-cov-2

description: <strong>Data for Geneticin shows selective antiviral activity against SARS-CoV-2 by interfering with programmed -1 ribosomal frameshifting</strong>
DOI: 10.6084/m9.figshare.20338695.v1
title: geneticin-sars-cov-2

description: <strong>Data for Geneticin shows selective antiviral activity against SARS-CoV-2 by interfering with programmed -1 ribosomal frameshifting</strong>
DOI: 10.6084/m9.figshare.20342646.v1
title: data.rar

description: Related datasets of https://github.com/1423test/svkg.
DOI: 10.5281/zenodo.6866913
title: 3-20-4-uniform

description: Generated data set of ideals 3-20-4 uniform used in the research for 'Predicting the performance of<br> Buchberger‘s algorithm' thesis.
DOI: 10.6084/m9.figshare.20338677.v3
title: Impact of mature tertiary lymphoid structures on prognosis of Epstein-Barr virus-associated gastric cancer

description: RNA-seq data from TCGA database
DOI: 10.6084/m9.figshare.20342646
title: data.rar

description: Related datasets of https://github.com/1423test/svkg.
DOI: 10.6084/m9.figshare.20342646.v3
title: data.rar

description: Related datasets of https://github.com/1423test/svkg.
DOI: 10.6084/m9.figshare.20342646.v2
title: data.rar

description: Related datasets of https://github.com/1423test/svkg.
DOI: 10.5281/zenodo.6866337
title: Malaria Stage Classifier dataset

description: This is the dataset for the Malaria Stage Classifier, which introduces a new method for the stage-specific classification of malaria-infected red blood cells (RBCs) and provides a fast, high-accuracy recognition even with limited training sets by a smart reduction of data dimension. RBCs are extracted from an image, reduced to characteristic one-dimensional cross-sections, and classified by a pretrained neural network. The method is applicable to images recorded by various microscopy techniques. The dataset can be used to retrain the neural network with new data.
DOI: 10.5281/zenodo.6866336
title: Malaria Stage Classifier dataset

description: This is the dataset for the Malaria Stage Classifier, which introduces a new method for the stage-specific classification of malaria-infected red blood cells (RBCs) and provides a fast, high-accuracy recognition even with limited training sets by a smart reduction of data dimension. RBCs are extracted from an image, reduced to characteristic one-dimensional cross-sections, and classified by a pretrained neural network. The method is applicable to images recorded by various microscopy techniques. The dataset can be used to retrain the neural network with new data.
DOI: 10.5517/cc8q1zz
title: CCDC 259531: Experimental Crystal Structure Determination

description: Related Article: C.Mann, R.Gompper, K.Polborn|2004|CSD Communication|||
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/cc8q29b
title: CCDC 259541: Experimental Crystal Structure Determination

description: Related Article: C.Mann, R.Gompper, K.Polborn|2004|CSD Communication|||
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/cc8npyj
title: CCDC 258228: Experimental Crystal Structure Determination

description: Related Article: C.Mann, R.Gompper, K.Polborn|2004|CSD Communication|||
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.6866935
title: Ideals Dataset

description: Generated datasets of multiple ideals distributions used in the research in linear regressions and machine learning algorithm for the thesis s 'Predicting the performance of Buchberger‘s algorithm' . Concatenated and concatenated_stats are the datasets with the ideals exponents and correspondent polynomial additions, these datasets were created specifically for RNN, features_dataset contains statistics regarding the ideals and polynomial_additions_dataset contains info regarding their polynomial additions created for multiple linear regression models and simple neural networks.
DOI: 10.5517/ccdc.csd.cc21t7sx
title: CCDC 1901099: Experimental Crystal Structure Determination

description: Related Article: Jian Yun Shi, Peng Yun Chen, Ming Ze Wu, Li Tian, Zhong Yi Liu|2019|Dalton Trans.|48|9187|doi:10.1039/C9DT00981G
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21t7vz
title: CCDC 1901101: Experimental Crystal Structure Determination

description: Related Article: Jian Yun Shi, Peng Yun Chen, Ming Ze Wu, Li Tian, Zhong Yi Liu|2019|Dalton Trans.|48|9187|doi:10.1039/C9DT00981G
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21td09
title: CCDC 1901230: Experimental Crystal Structure Determination

description: Related Article: Jian Yun Shi, Peng Yun Chen, Ming Ze Wu, Li Tian, Zhong Yi Liu|2019|Dalton Trans.|48|9187|doi:10.1039/C9DT00981G
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc22jtfw
title: CCDC 1922788: Experimental Crystal Structure Determination

description: Related Article: Andrei Alunel Patrascu|2019|CSD Communication|||
description: Related Article: Andrei A. Patrascu, Matteo Briganti, Stéphane Soriano, Sergiu Calancea, Rafael A. Allão Cassaro, Federico Totti, Maria G. F. Vaz, Marius Andruh|2019|Inorg.Chem.|58|13090|doi:10.1021/acs.inorgchem.9b01998
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.20343336.v1
title: Characterization of vanadium-dependent bromoperoxidases involved in the production of brominated sesquiterpenes by the red alga <i>Laurencia okamurae</i>

description: The red algal genus <i>Laurencia</i> produces abundant brominated metabolites, including cuparane- and laurane-type brominated sesquiterpenes. In order to gain insights into the biosynthesis mechanisms for brominated compounds, we focused on the vanadium-dependent bromoperoxidase (V-BPO). Four members of the homologous genes encoding for V-BPO were obtained from <i>L. okamurae</i> by PCR amplification. The recombinant V-BPO protein produced in <i>Escherichia coli</i> exhibited a significant brominating activity to monochlorodimedone. The function of V-BPO was examined by an assay using nerolidol as a relevant natural substrate. The enzyme properties of V-BPO were compared with those of related halogenating enzymes. The results indicate that V-BPO is one of the key enzymes responsible for the production of brominated compounds in <i>Laurencia</i>.
DOI: 10.6084/m9.figshare.19307144
title: Synthetic lethality of cyclin-dependent kinase inhibitor Dinaciclib with <i>VHL</i>-deficiency allows for selective targeting of clear cell renal cell carcinoma

description: Clear cell renal cell carcinoma (CC-RCC) remains one of the most deadly forms of kidney cancer despite recent advancements in targeted therapeutics, including tyrosine kinase and immune checkpoint inhibitors. Unfortunately, these therapies have not been able to show better than a 16% complete response rate. In this study we evaluated a cyclin-dependent kinase inhibitor, Dinaciclib, as a potential new targeted therapeutic for CC-RCC. <i>In vitro</i>, Dinaciclib showed anti-proliferative and pro-apoptotic effects on CC-RCC cell lines in Cell Titer Glo, Crystal Violet, FACS-based cell cycle analysis, and TUNEL assays. Additionally, these responses were accompanied by a reduction in phospho-Rb and pro-survival MCL-1 cell signaling responses, as well as the induction of caspase 3 and PARP cleavage. <i>In vivo</i>, Dinaciclib efficiently inhibited primary tumor growth in an orthotopic, patient-derived xenograft-based CC-RCC mouse model. Importantly, Dinaciclib targeted both CD105<sup>+</sup> cancer stem cells (CSCs) and CD105<sup>−</sup> non-CSCs <i>in vivo</i>. Moreover, normal cell lines, as well as a CC-RCC cell line with re-expressed von-Hippel Lindau (<i>VHL</i>) tumor suppressor gene, were protected from Dinaciclib-induced cytotoxicity when not actively dividing, indicating an effective therapeutic window due to synthetic lethality of Dinaciclib treatment with <i>VHL</i> loss. Thus, Dinaciclib represents a novel potential therapeutic for CC-RCC.
DOI: 10.6084/m9.figshare.19307144.v2
title: Synthetic lethality of cyclin-dependent kinase inhibitor Dinaciclib with <i>VHL</i>-deficiency allows for selective targeting of clear cell renal cell carcinoma

description: Clear cell renal cell carcinoma (CC-RCC) remains one of the most deadly forms of kidney cancer despite recent advancements in targeted therapeutics, including tyrosine kinase and immune checkpoint inhibitors. Unfortunately, these therapies have not been able to show better than a 16% complete response rate. In this study we evaluated a cyclin-dependent kinase inhibitor, Dinaciclib, as a potential new targeted therapeutic for CC-RCC. <i>In vitro</i>, Dinaciclib showed anti-proliferative and pro-apoptotic effects on CC-RCC cell lines in Cell Titer Glo, Crystal Violet, FACS-based cell cycle analysis, and TUNEL assays. Additionally, these responses were accompanied by a reduction in phospho-Rb and pro-survival MCL-1 cell signaling responses, as well as the induction of caspase 3 and PARP cleavage. <i>In vivo</i>, Dinaciclib efficiently inhibited primary tumor growth in an orthotopic, patient-derived xenograft-based CC-RCC mouse model. Importantly, Dinaciclib targeted both CD105<sup>+</sup> cancer stem cells (CSCs) and CD105<sup>−</sup> non-CSCs <i>in vivo</i>. Moreover, normal cell lines, as well as a CC-RCC cell line with re-expressed von-Hippel Lindau (<i>VHL</i>) tumor suppressor gene, were protected from Dinaciclib-induced cytotoxicity when not actively dividing, indicating an effective therapeutic window due to synthetic lethality of Dinaciclib treatment with <i>VHL</i> loss. Thus, Dinaciclib represents a novel potential therapeutic for CC-RCC.