cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.22651019
title: Chemometrics approach for adsorption multi-response optimization of Cu(II), Zn(II), and Cd(II) ions from phosphoric acid solution using natural clay

description: This study describes the elimination percentage optimization of Cu(II), Zn(II), and Cd(II) heavy metal ions from a phosphoric acid solution (three-metal ions system) using a natural clay (NC). The response surface methodology (RSM) based on the central composite design (CCD) was used to maximize the elimination percentages of these heavy metals. The natural clay was characterized by FTIR, XRD, TGA-DTG, SEM, and EDX techniques. Several important parameters influencing the adsorption process of these ions in the multi-metallic mixture such as contact time (X<sub>1</sub>), temperature (X<sub>2</sub>), and mass of NC (X<sub>3</sub>) were investigated systematically by batch experiments. The fitted model indicated that the optimal conditions to simultaneously maximize the elimination percentage of these ions were 26.82 min, 16.26 °C, and 3.56 g of NC mass. Under these conditions, the numerical estimation of the elimination percentages was 71.10, 69.06, and 67.83% for Cu(II), Zn(II), and Cd(II), respectively. Freundlich and Langmuir’s models were fitted to evaluate the equilibrium data of the heavy metal adsorption process by natural clay. According to the obtained results, it appeared that Freundlich isotherm gives a good representation of the adsorption phenomenon of Cu(II) ions, and for the adsorption of Cd(II) and Zn(II) on NC, the data shows fit both Freundlich and Langmuir isotherm model.
DOI: 10.6084/m9.figshare.22651021
title: 3,3-Disubstituted 1-acylthioureas as ionophores for Pb(II)-ion selective electrodes: physical and chemical characterization of the sensing membranes

description: Solid-state Pb(II) ion selective electrodes were developed, which are based on 3,3-disubstituted 1-acylthioureas as ionophores and use PVC membranes. 1-Benzoyl, 1-(2-furoyl), 3,3-diethyl and 3,3-diphenyl were the substituent groups on the thioureide core. The analytical parameters for the constructed electrodes were studied. The electrodes based on 3,3-diethyl substituted thiourea derivatives showed better analytical response to Pb(II) ions with suitable sensitivity and an average lifetime of more than 30 days. Cu(II), Hg(II) and Ag(I) ions were interfering species during Pb(II) detection. Scanning electron microscopy and atomic force microscopy micrographs of the activated sensing membranes revealed morphological changes, which have been associated with the performance of the sensors. The studies have suggested that the detection of few large size particles or aggregates at the membrane surface are responsible for inadequate functioning of the prepared electrodes. This pattern was mainly observed for the sensing membranes based on 3,3-diphenyl groups as substituents and is related to unfavorable steric and electronic factors. Furthermore, X-ray photoelectron spectroscopy profiles S2<i>p</i> and Pb4<i>f</i> supported chemically the analytical response displayed for the four membrane systems. The X-ray photoelectron spectroscopy results combined with scanning electron microscopy and atomic force microscopy studies shed light on the working mechanism of the studied electrodes.
DOI: 10.6084/m9.figshare.22651021.v1
title: 3,3-Disubstituted 1-acylthioureas as ionophores for Pb(II)-ion selective electrodes: physical and chemical characterization of the sensing membranes

description: Solid-state Pb(II) ion selective electrodes were developed, which are based on 3,3-disubstituted 1-acylthioureas as ionophores and use PVC membranes. 1-Benzoyl, 1-(2-furoyl), 3,3-diethyl and 3,3-diphenyl were the substituent groups on the thioureide core. The analytical parameters for the constructed electrodes were studied. The electrodes based on 3,3-diethyl substituted thiourea derivatives showed better analytical response to Pb(II) ions with suitable sensitivity and an average lifetime of more than 30 days. Cu(II), Hg(II) and Ag(I) ions were interfering species during Pb(II) detection. Scanning electron microscopy and atomic force microscopy micrographs of the activated sensing membranes revealed morphological changes, which have been associated with the performance of the sensors. The studies have suggested that the detection of few large size particles or aggregates at the membrane surface are responsible for inadequate functioning of the prepared electrodes. This pattern was mainly observed for the sensing membranes based on 3,3-diphenyl groups as substituents and is related to unfavorable steric and electronic factors. Furthermore, X-ray photoelectron spectroscopy profiles S2<i>p</i> and Pb4<i>f</i> supported chemically the analytical response displayed for the four membrane systems. The X-ray photoelectron spectroscopy results combined with scanning electron microscopy and atomic force microscopy studies shed light on the working mechanism of the studied electrodes.
DOI: 10.6084/m9.figshare.22651019.v1
title: Chemometrics approach for adsorption multi-response optimization of Cu(II), Zn(II), and Cd(II) ions from phosphoric acid solution using natural clay

description: This study describes the elimination percentage optimization of Cu(II), Zn(II), and Cd(II) heavy metal ions from a phosphoric acid solution (three-metal ions system) using a natural clay (NC). The response surface methodology (RSM) based on the central composite design (CCD) was used to maximize the elimination percentages of these heavy metals. The natural clay was characterized by FTIR, XRD, TGA-DTG, SEM, and EDX techniques. Several important parameters influencing the adsorption process of these ions in the multi-metallic mixture such as contact time (X<sub>1</sub>), temperature (X<sub>2</sub>), and mass of NC (X<sub>3</sub>) were investigated systematically by batch experiments. The fitted model indicated that the optimal conditions to simultaneously maximize the elimination percentage of these ions were 26.82 min, 16.26 °C, and 3.56 g of NC mass. Under these conditions, the numerical estimation of the elimination percentages was 71.10, 69.06, and 67.83% for Cu(II), Zn(II), and Cd(II), respectively. Freundlich and Langmuir’s models were fitted to evaluate the equilibrium data of the heavy metal adsorption process by natural clay. According to the obtained results, it appeared that Freundlich isotherm gives a good representation of the adsorption phenomenon of Cu(II) ions, and for the adsorption of Cd(II) and Zn(II) on NC, the data shows fit both Freundlich and Langmuir isotherm model.
DOI: 10.6084/m9.figshare.22651024
title: Synthesis, reactivity, antimicrobial, and anti-biofilm evaluation of fluorinated 4-amino-3-mercapto-1,2,4-triazin-5(4<i>H</i>)-one and their derivatives

description: New fluorinated 1,2,4-triazin-4-ones <b>2</b>–<b>24</b> have been prepared using straightforward approaches. The reaction of 4-amino-3-mercapto-6-(trifluoromethyl)-1,2,4-triazin-5(4<i>H</i>)-one (<b>2</b>) with aromatic aldehydes produced 4-((4-substitutedbenzylidene)amino)-3-mercapto-6-(trifluoromethyl)-1,2,4-triazin-5(4<i>H</i>)-ones (<b>5–9</b>), which were cyclized by thioglycolic acid to give 2-(4-subsitiutedphenyl)-3-(3-mercapto-5-oxo-6-(trifluoromethyl)-1,2,4-triazin-4(5<i>H</i>)-yl)thiazolidin-4-ones (<b>10–14</b>). 7-Methyl-3-(trifluoromethyl)-4<i>H</i>-[1, 3, 4]thiadiazolo[2,3-<i>c</i>][1, 2, 4]triazin-4-one (<b>4</b>) was synthesized by the condensation of <b>2</b> with acetaldehyde or by reaction with cyano compounds, followed by self-cyclization in dry benzene. Cyclization of compound <b>2</b> by reaction with aromatic acids yielded 7-substitutedphenyl-3-(trifluoromethyl)-4<i>H</i>-[1, 3, 4]thiadiazolo[2,3-c][1, 2, 4]triazin-4-ones (<b>15–19</b>). Reaction of compound <b>2</b> with cyanamide produced 1-(4-oxo-3-(trifluoromethyl)-4<i>H</i>-[1, 3, 4]thiadiazolo[2,3-c][1, 2, 4]triazin-7-yl)guanidine (<b>20</b>). Alkylation of compound <b>2</b> with phenacyl bromide produced 4-amino-3-((2-oxo-2-phenylethyl)thio)-6-(trifluoromethyl)-1,2,4-triazin-5(4<i>H</i>)-one (<b>21</b>) which upon heating in the same media furnished 7-phenyl-3-(trifluoromethyl)-4<i>H</i>,8<i>H</i>-[1, 2, 4]triazino[3,4-b][1, 3, 4]thiadiazin-4-one (<b>22</b>). The reaction of Schiff′s bases <b>5</b> or <b>6</b> with phenacyl bromide gave 8-benzoyl-7-(4-halophenyl)-3-(trifluoromethyl)-4<i>H</i>,8<i>H</i>-[1, 2, 4]triazino[3,4-b][1, 3, 4]thiadiazin-4-ones (<b>23–24</b>). All of the newly synthesized compounds were characterized by spectral measurements and elemental analysis. The biological evaluation was also described. All compounds were screened for antibacterial, antifungal, and anti-biofilm activities. The findings confirm that the fluorinated 1,2,4-triazin-4-ones appear to be promising compounds as antibacterial, antifungal, and anti-biofilm agents.
DOI: 10.6084/m9.figshare.22651024.v1
title: Synthesis, reactivity, antimicrobial, and anti-biofilm evaluation of fluorinated 4-amino-3-mercapto-1,2,4-triazin-5(4<i>H</i>)-one and their derivatives

description: New fluorinated 1,2,4-triazin-4-ones <b>2</b>–<b>24</b> have been prepared using straightforward approaches. The reaction of 4-amino-3-mercapto-6-(trifluoromethyl)-1,2,4-triazin-5(4<i>H</i>)-one (<b>2</b>) with aromatic aldehydes produced 4-((4-substitutedbenzylidene)amino)-3-mercapto-6-(trifluoromethyl)-1,2,4-triazin-5(4<i>H</i>)-ones (<b>5–9</b>), which were cyclized by thioglycolic acid to give 2-(4-subsitiutedphenyl)-3-(3-mercapto-5-oxo-6-(trifluoromethyl)-1,2,4-triazin-4(5<i>H</i>)-yl)thiazolidin-4-ones (<b>10–14</b>). 7-Methyl-3-(trifluoromethyl)-4<i>H</i>-[1, 3, 4]thiadiazolo[2,3-<i>c</i>][1, 2, 4]triazin-4-one (<b>4</b>) was synthesized by the condensation of <b>2</b> with acetaldehyde or by reaction with cyano compounds, followed by self-cyclization in dry benzene. Cyclization of compound <b>2</b> by reaction with aromatic acids yielded 7-substitutedphenyl-3-(trifluoromethyl)-4<i>H</i>-[1, 3, 4]thiadiazolo[2,3-c][1, 2, 4]triazin-4-ones (<b>15–19</b>). Reaction of compound <b>2</b> with cyanamide produced 1-(4-oxo-3-(trifluoromethyl)-4<i>H</i>-[1, 3, 4]thiadiazolo[2,3-c][1, 2, 4]triazin-7-yl)guanidine (<b>20</b>). Alkylation of compound <b>2</b> with phenacyl bromide produced 4-amino-3-((2-oxo-2-phenylethyl)thio)-6-(trifluoromethyl)-1,2,4-triazin-5(4<i>H</i>)-one (<b>21</b>) which upon heating in the same media furnished 7-phenyl-3-(trifluoromethyl)-4<i>H</i>,8<i>H</i>-[1, 2, 4]triazino[3,4-b][1, 3, 4]thiadiazin-4-one (<b>22</b>). The reaction of Schiff′s bases <b>5</b> or <b>6</b> with phenacyl bromide gave 8-benzoyl-7-(4-halophenyl)-3-(trifluoromethyl)-4<i>H</i>,8<i>H</i>-[1, 2, 4]triazino[3,4-b][1, 3, 4]thiadiazin-4-ones (<b>23–24</b>). All of the newly synthesized compounds were characterized by spectral measurements and elemental analysis. The biological evaluation was also described. All compounds were screened for antibacterial, antifungal, and anti-biofilm activities. The findings confirm that the fluorinated 1,2,4-triazin-4-ones appear to be promising compounds as antibacterial, antifungal, and anti-biofilm agents.
DOI: 10.6084/m9.figshare.21774715
title: An ultra-sound assisted synthesis of α-aminophosphonates from benzyl halides <i>via</i> sequential Kornblum and Kabachnik-fields reaction

description: An ultrasound-assisted simple, easy and straightforward method for the synthesis of α-aminophosphonates has been developed <i>via</i> Kornblum/Kabachnik-fields reaction. The method involves <i>in situ</i> generation of an aldehyde intermediate from benzyl halides <i>via</i> oxidative dehalogenation followed by coupling with aryl amine and trialkyl phosphite in a one-pot three component manner under ultrasonic irradiations. The developed method is compatible with various functionalities and the desired products are obtained in good to excellent yield under mild conditions.
DOI: 10.6084/m9.figshare.21774715.v2
title: An ultra-sound assisted synthesis of α-aminophosphonates from benzyl halides <i>via</i> sequential Kornblum and Kabachnik-fields reaction

description: An ultrasound-assisted simple, easy and straightforward method for the synthesis of α-aminophosphonates has been developed <i>via</i> Kornblum/Kabachnik-fields reaction. The method involves <i>in situ</i> generation of an aldehyde intermediate from benzyl halides <i>via</i> oxidative dehalogenation followed by coupling with aryl amine and trialkyl phosphite in a one-pot three component manner under ultrasonic irradiations. The developed method is compatible with various functionalities and the desired products are obtained in good to excellent yield under mild conditions.
DOI: 10.6084/m9.figshare.22651022
title: Fe<sub>3</sub>O<sub>4</sub> nanoparticles as an efficient catalyst for one-pot synthesis of novel fused phosphorus heterocycles bearing diethyl phosphonate

description: An efficient and practical method for the synthesis of novel fused phosphorus heterocycles incorporating diethyl phosphonate by the one-pot in the presence of Fe<sub>3</sub>O<sub>4</sub> nanoparticles as a reusable catalyst was achieved. The four-component reactions of <i>ortho-</i>substituted anilines, namely 2-aminophenol, 2-aminothiophenol and 1,2-phenylenediamine with salicylaldehyde, diethyl phosphite and hexaethylphosphorus triamide in the presence of Fe<sub>3</sub>O<sub>4</sub> nanoparticles as a catalyst at 80–90 °C afforded the corresponding 1,3,2-benzo(oxaza/thiaza/diaza)phospholo[2,3-<i>b</i>][1,3,2]benzoxazaphosphinines <b>1</b>–<b>3</b> in good yields (80-84%). When the same reactions were repeated by substitution of salicylaldehyde with benzaldehyde, the 1,2-benzazaphospholo[2,1-<i>b</i>][1,3,2]benzo(oxaza/thiaza)phospholes <b>4</b> and <b>5</b> and 1,3,2-benzodiazaphosphole <b>6</b> derivatives were isolated in 78–83% yields. The structures of the synthesized compounds were established by elemental analysis and spectroscopic techniques (IR, MS and NMR).
DOI: 10.6084/m9.figshare.22651022.v1
title: Fe<sub>3</sub>O<sub>4</sub> nanoparticles as an efficient catalyst for one-pot synthesis of novel fused phosphorus heterocycles bearing diethyl phosphonate

description: An efficient and practical method for the synthesis of novel fused phosphorus heterocycles incorporating diethyl phosphonate by the one-pot in the presence of Fe<sub>3</sub>O<sub>4</sub> nanoparticles as a reusable catalyst was achieved. The four-component reactions of <i>ortho-</i>substituted anilines, namely 2-aminophenol, 2-aminothiophenol and 1,2-phenylenediamine with salicylaldehyde, diethyl phosphite and hexaethylphosphorus triamide in the presence of Fe<sub>3</sub>O<sub>4</sub> nanoparticles as a catalyst at 80–90 °C afforded the corresponding 1,3,2-benzo(oxaza/thiaza/diaza)phospholo[2,3-<i>b</i>][1,3,2]benzoxazaphosphinines <b>1</b>–<b>3</b> in good yields (80-84%). When the same reactions were repeated by substitution of salicylaldehyde with benzaldehyde, the 1,2-benzazaphospholo[2,1-<i>b</i>][1,3,2]benzo(oxaza/thiaza)phospholes <b>4</b> and <b>5</b> and 1,3,2-benzodiazaphosphole <b>6</b> derivatives were isolated in 78–83% yields. The structures of the synthesized compounds were established by elemental analysis and spectroscopic techniques (IR, MS and NMR).
DOI: 10.5281/zenodo.7877304
title: desmognathus_orestes_zanfona_1.fasta.gz

description: .
DOI: 10.5281/zenodo.7877303
title: desmognathus_orestes_zanfona_1.fasta.gz

description: .
DOI: 10.18112/openneuro.ds004346.v1.0.6
title: FLUX: A pipeline for MEG analysis
DOI: 10.21227/85zy-cz87
title: Real-Micron

description: Real-Micron dataset for real-world image super-resolution evalution
DOI: 10.5517/ccdc.csd.cc2dk303
title: CCDC 2220964: Experimental Crystal Structure Determination

description: Related Article: Andrea Rivoli, Rosa M. Gomila, Antonio Frontera, Pablo Ballester|2023|Chem.Asian J.|18|e202201192|doi:10.1002/asia.202201192
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.cc2dk314
title: CCDC 2220965: Experimental Crystal Structure Determination

description: Related Article: Andrea Rivoli, Rosa M. Gomila, Antonio Frontera, Pablo Ballester|2023|Chem.Asian J.|18|e202201192|doi:10.1002/asia.202201192
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.cc2dk325
title: CCDC 2220966: Experimental Crystal Structure Determination

description: Related Article: Andrea Rivoli, Rosa M. Gomila, Antonio Frontera, Pablo Ballester|2023|Chem.Asian J.|18|e202201192|doi:10.1002/asia.202201192
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.cc2dk336
title: CCDC 2220967: Experimental Crystal Structure Determination

description: Related Article: Andrea Rivoli, Rosa M. Gomila, Antonio Frontera, Pablo Ballester|2023|Chem.Asian J.|18|e202201192|doi:10.1002/asia.202201192
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.22720399
title: Early Indicator for Data Sharing and Reuse - Supplementary Tables.xlsx

description: These data were generated for an investigation of research data repository (RDR) mentions in biuomedical research articles. <br> Supplementary Table 1 is a discrete subset of SciCrunch RDRs used to study RDR mentions in biomedical literature. We generated this list by starting with the top 1000 entries in the SciCrunch database, measured by citations, removed entries for organizations (such as universities without a corresponding RDR) or non-relevant tools (such as reference managers), updated links, and consolidated duplicates resulting from RDR mergers and name variations. The resulting list of 737 RDRs is shown in with as a base based on a source list of RDRs in the SciCrunch database. The file includes the Research Resource Identifier (RRID), the RDR name, and a link to the RDR record in the SciCrunch database. <br> Supplementary Table 2 shows the RDRs, associated journals, and article-mention pairs (records) with text snippets extracted from mined Methods text in 2020 PubMed articles. The dataset has 4 components. The first shows the list of repositories with RDR mentions, and includes the Research Resource Identifier (RRID), the RDR name, the number of articles that mention the RDR, and a link to the record in the SciCrunch database. The second shows the list of journals in the study set with at least 1 RDR mention, andincludes the Journal ID, nam, ESSN/ISSN, the total count of publications in 2020, the number of articles that had text available to mine, the number of article-mention pairs (records), number of articles with RDR mentions, the number of unique RDRs mentioned, % of articles with minable text. The third shows the top 200 journals by RDR mention, normalized by the proportion of articles with available text to mine, with the same metadata as the second table. The fourth shows text snippets for each RDR mention, and includes the RRID, RDR name, PubMedID (PMID), DOI, article publication date, journal name, journal ID, ESSN/ISSN, article title, and snippet.
DOI: 10.5281/zenodo.7877361
title: The Legacy Environmental Footprints of Manufactured Capital

description: To enhance the clarity and coherence of the statement, you may consider revising it as follows: By utilizing the data and Matlab scripts made available here, one can produce all the visual components featured in the article entitled "The Legacy Environmental Footprint of Manufactured Capital." This comprehensive work is the result of collaborative research among various distinguished scholars and prestigious institutions, namely: Ranran Wang<sup>1*</sup>, Edgar G. Hertwich<sup>2*</sup>, Tomer Fishman<sup>1</sup>, Sebastiaan Deetman<sup>1</sup>, Paul Behrens<sup>1</sup>, Wei-qiang Chen<sup>3</sup>, Arjan de Koning<sup>1</sup>, Ming Xu<sup>4</sup>, Kira Matus<sup>5</sup>, Hauke Ward<sup>1</sup>, Arnold Tukker<sup>1</sup>, Julie B. Zimmerman<sup>6</sup> <sup>1</sup>Institute of Environmental Sciences (CML), Leiden University; Leiden, The Netherlands. <sup>2</sup>Department of Energy and Process Engineering, Norwegian University of Science and Technology; Trondheim, Norway. <sup>3</sup>Institute of Urban Environment, Chinese Academy of Sciences; Xiamen, China. <sup>4</sup>School of Environment, Tsinghua University; Beijing, China. <sup>5</sup>Division of Public Policy, Hongkong University of Science and Technology; Hong Kong, China. <sup>6</sup>School of the Environment, Yale University; New Haven, United States. Here is the Abstract of the article: The foundations of today's societies are provided by manufactured capital accumulation driven by investment decisions through time. Reconceiving how the manufactured assets are harnessed in the production-consumption system is at the heart of the paradigm shifts necessary for long-term sustainability. Our research integrates 50 years of economic and environmental data to provide the global legacy environmental footprint (LEF) and unveil the historical materials extractions, greenhouse gas (GHG) emissions, and health impacts accrued in today's manufactured capital. We show that between 1995-2019, global LEF growth outpaced GDP and population growth, and the current high level of national capital stocks has been heavily relying on global supply chains in metals. The LEF shows a larger or growing gap between developed and less-developed economies while economic returns from global asset supply chains disproportionately flow to developed economies, resulting in a double burden for less-developed economies. Our results show ensuring best-practice in asset production while prioritizing wellbeing outcomes is essential in addressing global inequalities and protecting the environment. Achieving this requires a paradigm shift in sustainability science and policy, as well as in green finance decision-making, to move beyond the focus on the resource use and emissions of daily operations of the assets and instead take into account the long-term environmental footprints of capital accumulation.