cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc28h50z
title: CCDC 2099940: Experimental Crystal Structure Determination

description: Related Article: Matteo Lanzi, Racha Abed Ali Abdine, Maxime De Abreu, Joanna Wencel-Delord|2021|Org.Lett.|23|9047|doi:10.1021/acs.orglett.1c03278
DOI: 10.5517/ccdc.csd.cc28hvzm
title: CCDC 2100621: Experimental Crystal Structure Determination

description: Related Article: Wen-Wen Zhao, Yong-Chao Shao, An-Ni Wang, Jia-Li Huang, Chun-Yang He, Bao-Dong Cui, Nan-Wei Wan, Yong-Zheng Chen, Wen-Yong Han|2021|Org.Lett.|23|9256|doi:10.1021/acs.orglett.1c03603
DOI: 10.5517/ccdc.csd.cc28hw0p
title: CCDC 2100622: Experimental Crystal Structure Determination

description: Related Article: Wen-Wen Zhao, Yong-Chao Shao, An-Ni Wang, Jia-Li Huang, Chun-Yang He, Bao-Dong Cui, Nan-Wei Wan, Yong-Zheng Chen, Wen-Yong Han|2021|Org.Lett.|23|9256|doi:10.1021/acs.orglett.1c03603
DOI: 10.5517/ccdc.csd.cc28hw1q
title: CCDC 2100623: Experimental Crystal Structure Determination

description: Related Article: Wen-Wen Zhao, Yong-Chao Shao, An-Ni Wang, Jia-Li Huang, Chun-Yang He, Bao-Dong Cui, Nan-Wei Wan, Yong-Zheng Chen, Wen-Yong Han|2021|Org.Lett.|23|9256|doi:10.1021/acs.orglett.1c03603
DOI: 10.25502/26n2-bn81/d
title: Baseline and Needs Assessment of BATN Farmers

description: British America Tobacco Nigeria Limited (BATNL) wish to mitigate their former leaf farmers from hardship and ensure a thriving and sustainable future for them. A letter from BATNL to IITA presented BATNL’s intention for 365 farmers in Oke-Ogun area of Oyo State. The plan is to support the farmers develop profitable and sustainable cassava/maize intercrop business without recourse to BAT.
DOI: 10.5281/zenodo.5762165
title: Multi-Scale Computational Screening to Accelerate Discovery of IL/COF Composites for Flue Gas Separation

description: Covalent organic frameworks (COFs) have emerged as novel adsorbents and membranes for gas separation. Incorporation of ionic liquids (ILs) into COFs is important to exceed the current performance limits of COFs. However, synthesis and testing of a nearly unlimited number of IL/COF combinations are simply impractical. Herein, we used a multi-scale computational screening approach combining COnductor-like Screening MOdel for Realistic Solvents (COSMO-RS) method, Grand Canonical Monte Carlo (GCMC), molecular dynamics (MD) simulations, and density functional theory (DFT) calculations to unlock both the adsorption- and membrane-based CO<sub>2</sub>/N<sub>2 </sub>separation performances of IL/COF composites. Several adsorbent and membrane performance assessment metrics including selectivity, working capacity, regenerability, adsorbent performance score, and permeability were computed. Our results revealed that IL-incorporation into COFs significantly improved CO<sub>2</sub>/N<sub>2</sub> adsorption selectivities (from 12 to 26) and adsorbent performance scores (from 3.7 to 12 mol/kg). By performing DFT calculations, the nature of the interactions between CO<sub>2</sub>, N<sub>2</sub>, COFs and their IL-incorporated composites were evaluated. The high CO<sub>2</sub> selectivity of IL/COF composites was attributed to the cooperative intermolecular effects induced by the COF and the IL. Finally, IL/COF membranes were studied, and results showed that they achieve significantly higher CO<sub>2</sub> permeabilities (2.4 10<sup>4</sup>-9.4 10<sup>5</sup> Barrer) than polymeric and zeolite membranes and comparable selectivities (up to 15.7), which hold great promise to replace conventional materials in membrane-based flue gas separation applications. Our results will be useful in accelerating experimental efforts to design new IL/COF composites that can achieve high-performance CO<sub>2</sub> separation.
DOI: 10.5281/zenodo.5762164
title: Multi-Scale Computational Screening to Accelerate Discovery of IL/COF Composites for Flue Gas Separation

description: Covalent organic frameworks (COFs) have emerged as novel adsorbents and membranes for gas separation. Incorporation of ionic liquids (ILs) into COFs is important to exceed the current performance limits of COFs. However, synthesis and testing of a nearly unlimited number of IL/COF combinations are simply impractical. Herein, we used a multi-scale computational screening approach combining COnductor-like Screening MOdel for Realistic Solvents (COSMO-RS) method, Grand Canonical Monte Carlo (GCMC), molecular dynamics (MD) simulations, and density functional theory (DFT) calculations to unlock both the adsorption- and membrane-based CO<sub>2</sub>/N<sub>2 </sub>separation performances of IL/COF composites. Several adsorbent and membrane performance assessment metrics including selectivity, working capacity, regenerability, adsorbent performance score, and permeability were computed. Our results revealed that IL-incorporation into COFs significantly improved CO<sub>2</sub>/N<sub>2</sub> adsorption selectivities (from 12 to 26) and adsorbent performance scores (from 3.7 to 12 mol/kg). By performing DFT calculations, the nature of the interactions between CO<sub>2</sub>, N<sub>2</sub>, COFs and their IL-incorporated composites were evaluated. The high CO<sub>2</sub> selectivity of IL/COF composites was attributed to the cooperative intermolecular effects induced by the COF and the IL. Finally, IL/COF membranes were studied, and results showed that they achieve significantly higher CO<sub>2</sub> permeabilities (2.4 10<sup>4</sup>-9.4 10<sup>5</sup> Barrer) than polymeric and zeolite membranes and comparable selectivities (up to 15.7), which hold great promise to replace conventional materials in membrane-based flue gas separation applications. Our results will be useful in accelerating experimental efforts to design new IL/COF composites that can achieve high-performance CO<sub>2</sub> separation.
DOI: 10.5281/zenodo.5762083
title: Result data from "Relative effects of land conversion and land-use intensity on terrestrial vertebrate diversity"

description: These tif files contain the raw results of the publication "Relative effects of land conversion and land-use intensity on terrestrial vertebrate diversity", i.e. the raw data used to create the species richness loss maps shown in the main text and Supplementary Information of the publication. Please cite the publication when using these data.
DOI: 10.5281/zenodo.5762082
title: Result data from "Relative effects of land conversion and land-use intensity on terrestrial vertebrate diversity"

description: These tif files contain the raw results of the publication "Relative effects of land conversion and land-use intensity on terrestrial vertebrate diversity", i.e. the raw data used to create the species richness loss maps shown in the main text and Supplementary Information of the publication. Please cite the publication when using these data.
DOI: 10.5281/zenodo.5727015
title: Sequences and secondary structures of mutated pre-miRNAs from CRISPR/Cas9-edited MIR160a, MIR160b and MIR390a genes of potato

description: <strong>Genotypisation of transfected protoplasts</strong> (folder<strong> “Transfected protoplasts”</strong>) Genomic DNA isolated from transfected and non-transfected protoplast of cv. Desiree was used as a template to amplify approximately 800 bp-long region surrounding coding sequence for miR160a-5p, miR160b-5p and miR390a-5p, encoded by <em>MIR160a</em>, <em>MIR160b</em> and <em>MIR390a</em> genes, respectively. To determine types of mutations and polymorphism, PCR products were cloned into pJET, transformed into <em>E. coli</em>, isolated from 9 or 10 colonies per PCR product and Sanger sequenced with primers specific for amplicons from both directions. <strong>Genotypisation of transgenic lines</strong> (folder<strong> “Transgenic potato”</strong>) Approximately 800 bp-long region surrounding coding sequence for each miRNA was amplified from genomic DNA isolated from CRISPR-edited <em>MIR160a</em> (cr-<em>MIR160a</em>), <em>MIR160b </em>(cr-<em>MIR160b</em>) and <em>MIR390a</em> (cr-<em>MIR390a</em>) transgenic and non-transgenic plants (NT; cv. Rywal and cv. Desiree). For the screening of transgenic lines with desired mutations, PCR products were Sanger sequenced (subfolder <strong>“PCR amplicons miRNA”</strong>). To determine types of mutations and polymorphism, PCR products were for the selected transgenic lines and NT plants cloned into pJET, transformed into E. coli, isolated from 9 or 10 colonies per PCR product and Sanger sequenced with primers specific for amplicons from both directions (subfolder <strong>“pJET_miRNA”</strong>). <strong>Secondary structures of pre-miRNA precursors</strong> (folder <strong>“Secondary structures”</strong>) Precursor sequences of wild-type potato <em>MIR160a</em> and <em>MIR160b</em> were obtained from miRBase (https://www.mirbase.org/; Accession No. MI0025955, MI0025956) and of wild-type potato <em>MIR390a</em> from the study of Križnik <em>et al.</em>, 2017 (Križnik <em>et al.</em>, 2017) (subfolder <strong>“</strong><strong>WT pre-miRNAs</strong><strong>“</strong>). The mutated pre-miRNAs of cr-<em>MIR160a</em>, cr-<em>MIR160b</em> and cr-<em>MIR390a</em> transgenic lines were extracted from Sanger sequencing results (subfolder <strong>“pJET_miRNA”</strong>). The secondary structures were drawn and miRNA/miRNA* duplex regions were highlighted (orange – 5p miRNA coding region, blue – 3p miRNA coding region) using RNA Folding/Annotation tool of The Small RNA Workbench v4.5 (Stocks <em>et al.</em>, 2018) (subfolders <strong>“Desiree” </strong>and<strong> “Rywal”</strong>).
description: This research was financially supported by the Slovenian Research Agency (research core funding no. P4-0165 and projects J4-2544, ), the Investissement d'Avenir program of the French National Agency of Research for the project GENIUS (ANR-11-BTBR-0001_GENIUS), the Institut Carnot Plant2Pro program for the project POTATOCRISP and COST Action PlantEd (CA18111).
DOI: 10.5281/zenodo.5727014
title: Sequences and secondary structures of mutated pre-miRNAs from CRISPR/Cas9-edited MIR160a, MIR160b and MIR390a genes of potato

description: <strong>Genotypisation of transfected protoplasts</strong> (folder<strong> “Transfected protoplasts”</strong>) Genomic DNA isolated from transfected and non-transfected protoplast of cv. Desiree was used as a template to amplify approximately 800 bp-long region surrounding coding sequence for miR160a-5p, miR160b-5p and miR390a-5p, encoded by <em>MIR160a</em>, <em>MIR160b</em> and <em>MIR390a</em> genes, respectively. To determine types of mutations and polymorphism, PCR products were cloned into pJET, transformed into <em>E. coli</em>, isolated from 9 or 10 colonies per PCR product and Sanger sequenced with primers specific for amplicons from both directions. <strong>Genotypisation of transgenic lines</strong> (folder<strong> “Transgenic potato”</strong>) Approximately 800 bp-long region surrounding coding sequence for each miRNA was amplified from genomic DNA isolated from CRISPR-edited <em>MIR160a</em> (cr-<em>MIR160a</em>), <em>MIR160b </em>(cr-<em>MIR160b</em>) and <em>MIR390a</em> (cr-<em>MIR390a</em>) transgenic and non-transgenic plants (NT; cv. Rywal and cv. Desiree). For the screening of transgenic lines with desired mutations, PCR products were Sanger sequenced (subfolder <strong>“PCR amplicons miRNA”</strong>). To determine types of mutations and polymorphism, PCR products were for the selected transgenic lines and NT plants cloned into pJET, transformed into E. coli, isolated from 9 or 10 colonies per PCR product and Sanger sequenced with primers specific for amplicons from both directions (subfolder <strong>“pJET_miRNA”</strong>). <strong>Secondary structures of pre-miRNA precursors</strong> (folder <strong>“Secondary structures”</strong>) Precursor sequences of wild-type potato <em>MIR160a</em> and <em>MIR160b</em> were obtained from miRBase (https://www.mirbase.org/; Accession No. MI0025955, MI0025956) and of wild-type potato <em>MIR390a</em> from the study of Križnik <em>et al.</em>, 2017 (Križnik <em>et al.</em>, 2017) (subfolder <strong>“</strong><strong>WT pre-miRNAs</strong><strong>“</strong>). The mutated pre-miRNAs of cr-<em>MIR160a</em>, cr-<em>MIR160b</em> and cr-<em>MIR390a</em> transgenic lines were extracted from Sanger sequencing results (subfolder <strong>“pJET_miRNA”</strong>). The secondary structures were drawn and miRNA/miRNA* duplex regions were highlighted (orange – 5p miRNA coding region, blue – 3p miRNA coding region) using RNA Folding/Annotation tool of The Small RNA Workbench v4.5 (Stocks <em>et al.</em>, 2018) (subfolders <strong>“Desiree” </strong>and<strong> “Rywal”</strong>).
description: This research was financially supported by the Slovenian Research Agency (research core funding no. P4-0165 and projects J4-2544, ), the Investissement d'Avenir program of the French National Agency of Research for the project GENIUS (ANR-11-BTBR-0001_GENIUS), the Institut Carnot Plant2Pro program for the project POTATOCRISP and COST Action PlantEd (CA18111).
DOI: 10.6084/m9.figshare.17134163
title: Supplementary Material for: Comparing the Accuracy of ABCD-10 and SCORTEN in Predicting the In-Hospital Mortality of Stevens-Johnson Syndrome/Toxic Epidermal Necrolysis: A Multi-Institutional Study from Central China

description: <b><i>Background:</i></b> The newly described ABCD-10 (age, bicarbonate, cancer, dialysis, 10% body surface area [BSA]) is a 5-item mortality prediction model for patients with Stevens-Johnson syndrome (SJS)/toxic epidermal necrolysis (TEN). It was developed in the United States, has at present been externally tested only in the United States, Spain, and Singapore, and remains to be validated in resource-restricted settings. We sought to compare the accuracy of ABCD-10 and Score of Toxic Epidermal Necrolysis (SCORTEN) in predicting in-hospital mortality in a cohort from central China. Due to disease progression affecting the accuracy of the prediction model during hospitalization, for example, higher predictive accuracy of SCORTEN based on parameters collected on day 3 of hospitalization, we also assessed the overall predictive value of ABCD-10 on days 1 and 3, respectively. <b><i>Methods:</i></b> A retrospective study was performed over a 10-year period (2010–2020) from 3 medical institutions in Wuhan. The performance of predictive models was assessed by both discrimination and calibration. Receiver-operating characteristic (ROC) curves, Hosmer-Lemeshow goodness-of-fit tests and calibration plots were used to evaluate the model discrimination and calibration. <b><i>Results:</i></b> Of 84 included patients, 11 (13.1%) did not survive. The discrimination power of ABCD-10 was not significantly different from that of SCORTEN (area under the curve: day 1, <i>p</i> &gt; 0.05; day 3, <i>p</i> &gt; 0.05). Although the calibration of ABCD-10 was good, it was inferior to SCORTEN as it underestimated total mortality (Hosmer-Lemeshow goodness-of-fit test: day 1, <i>p</i> = 0.17 vs. <i>p</i> = 0.63; day 3, <i>p</i> = 0.35 vs. <i>p</i> = 0.93). Besides, the performance of ABCD-10 was slightly better on day 3 relative to day 1. During hospitalization, bacteremia developed in 21 (25.0%) patients, which was associated with a higher risk of death in our cohort (odds ratio, 22.88; 95% CI, 4.38–119.40; <i>p</i> &lt; 0.001). <b><i>Conclusion:</i></b> ABCD-10 showed acceptable overall performance, but revealed mortality underestimation and was inferior to the performance of SCORTEN. In consistence with SCORTEN, ABCD-10 was a better model when using values collected at day 3 of hospitalization relative to day 1.
DOI: 10.25403/upresearchdata.17130107
title: Assessing the financial viability of JSE listed entities in agricultural sector of South Africa, using the sustainable growth model

description: The objective of the study was to understand the financial viability of food production entities listed on the JSE using the sustainable growth model.This was achieved by firstly, identifying which of the determinants could be used to assess financial viability. These are compared to the SGC which is the result of subtracting the SGR from the AGR. Aligning the SGC with the financial viability ratios facilitates entities in ensuring their long term survival.
DOI: 10.25403/upresearchdata.17130107.v1
title: Assessing the financial viability of JSE listed entities in agricultural sector of South Africa, using the sustainable growth model

description: The objective of the study was to understand the financial viability of food production entities listed on the JSE using the sustainable growth model.This was achieved by firstly, identifying which of the determinants could be used to assess financial viability. These are compared to the SGC which is the result of subtracting the SGR from the AGR. Aligning the SGC with the financial viability ratios facilitates entities in ensuring their long term survival.
DOI: 10.6084/m9.figshare.17133806
title: Agency and time poverty: Linking decision-making powers and leisure time of male and female farmers of Central India

description: The study is aimed to examine the linkages among participation, workload, and decision making through the lens of gender and other power relations. The primary data were collected through a gender-differentiated survey among 347 wheat farming households (694 individuals) in 18 rural villages of Madhya Pradesh state of India. Both the household head and his/her partner were interviewed from the sample households. In case the household head was not in a marital relationship at the time of the survey, a member of the opposite sex was interviewed. The interviews were carried out by a team of 12 trained (6 female) enumerators and two supervisors (both male) during October-November 2019, using a Computer-Assisted Personal Interview (CAPI) software called <i>Surveybe</i><sup>TM</sup>. Informed consent was sought from each participant.
DOI: 10.5281/zenodo.5762483
title: Radioactivity York Lab

description: Lab data for PHYS 3320 <br> The respective file names are horizontal and vertical are based on the position of GM counter <br> The integer files represent a vertical placed GM counter with varying distances in cm from the radioactive source i.e O0.5 = 0.5 cm above the radioactive source.
DOI: 10.5281/zenodo.5762482
title: Radioactivity York Lab

description: Lab data for PHYS 3320 <br> The respective file names are horizontal and vertical are based on the position of GM counter <br> The integer files represent a vertical placed GM counter with varying distances in cm from the radioactive source i.e O0.5 = 0.5 cm above the radioactive source.
DOI: 10.5281/zenodo.5762480
title: The translational landscape of SARS-CoV-2 and infected cells reveals suppression of innate immune genes

description: SARS-CoV-2 utilizes a number of strategies to modulate viral and host mRNA translation. Here, we used ribosome profiling in SARS-CoV-2 infected model cell lines and primary airway cells grown at the air-liquid interface to gain a deeper understanding of the translationally regulated events in response to virus replication. We find that SARS-CoV-2 mRNAs dominate the cellular mRNA pool but are not more efficiently translated than cellular mRNAs. SARS-CoV-2 utilized a highly efficient ribosomal frameshifting strategy despite notable accumulation of ribosomes within the slippery sequence on the frameshifting element. In the highly permissive cell models, although SARS-CoV-2 infection induced the transcriptional upregulation of numerous chemokines, cytokines and interferon stimulated genes, many of these mRNAs were not translated efficiently. Impact of SARS-CoV-2 on host mRNA translation was more subtle in primary cells, with marked transcriptional and translational upregulation of inflammatory and innate immune responses and downregulation of processes involved in ciliated cell function. Together, these data reveal the key role of mRNA translation in SARS-CoV-2 replication and highlight unique mechanisms for therapeutic development. The processed data presented here is derived from the relevant RNA-seq and ribo-seq libraries.
DOI: 10.6084/m9.figshare.17134154
title: The antigenicity of SARS-CoV-2 Delta variants aggregated 10 high-frequency mutations in RBD has not changed sufficiently to replace the current vaccine strain

description: Emerging SARS-CoV-2 variants are the most serious problem for COVID-19 prophylaxis and treatment. To determine whether the SARS-CoV-2 vaccine strain should be updated following variant emergence like seasonal flu vaccine, the changed degree on antigenicity of SARS-CoV-2 variants and H3N2 flu vaccine strains was compared. The neutralization activities of Alpha, Beta and Gamma variants’ spike protein-immunized sera were analysed against the eight current epidemic variants and 20 possible variants combining the top 10 prevalent RBD mutations based on the Delta variant, which were constructed using pseudotyped viruses. Meanwhile, the neutralization activities of convalescent sera and current inactivated and recombinant protein vaccine-elicited sera were also examined against all possible Delta variants. Eight HA protein-expressing DNAs elicited-animal sera were also tested against eight pseudotyped viruses of H3N2 flu vaccine strains from 2011–2019. Our results indicate that the antigenicity changes of possible Delta variants were mostly within four folds, whereas the antigenicity changes among different H3N2 vaccine strains were approximately 10–100-fold. Structural analysis of the antigenic characterization of the SARS-CoV-2 and H3N2 mutations supports the neutralization results. This study indicates that the antigenicity changes of the current SARS-CoV-2 may not be sufficient to require replacement of the current vaccine strain.
DOI: 10.25502/gvn5-5619/d
title: Evaluation of Yam plantlets in Hydroponics using different substrate

description: Seed yam production using high ratio propagation techniques.
DOI: 10.6084/m9.figshare.17134250
title: Insurance premiums for the CHI of unemployed population in the Russian Federation and the North Caucasian Federal District

description: Expanded data on insurance premiums for the CHI of unemployed population in the Russian Federation and the North Caucasian Federal District are presented in the data set developed by the authors based on the materials of the Federal State Statistics Service of the Russian Federation.
DOI: 10.14278/rodare.1192
title: Raw data: "Quantification of Peptide-Bound Particles: A phage Mimicking Approach via Site-Selective Immobilization on Glass"

description: This set contains the raw data of the fluorescence scanning experiments used in the publication of "Quantification of peptide bound particles: A phage mimicking approach via site-selective immobilization on glass" by Schrader et al..
DOI: 10.14278/rodare.357
title: Raw data: "Quantification of Peptide-Bound Particles: A phage Mimicking Approach via Site-Selective Immobilization on Glass"

description: This set contains the raw data of the fluorescence scanning experiments used in the publication of "Quantification of peptide bound particles: A phage mimicking approach via site-selective immobilization on glass" by Schrader et al..
DOI: 10.25502/jx0p-cv28/d
title: Seed yam storage in ambient condition versus 16˚C cold room environment

description: Seed yam production using high ratio propagation techniques.
DOI: 10.15131/shef.data.16982110
title: Data for the article "Effectiveness of global optimisation and direct kinematics in predicting surgical outcome in children with cerebral palsy."

description: This Figshare contains data for reproducing results reported in the paper titled "Effectiveness of Global Optimisation and Direct Kinematics in Predicting Surgical Outcome in Children with Cerebral Palsy".<br>The folder contains:1. kinematic data for Cerebral Palsy (CP) and Typically Developing (TD) groups. Each file has data for both mGen and PiG kinematics2. pre and post-surgery ages for CP group for selecting appropriate age-matched control group.2. excel file with specification of limbs that received the FDO and the non-3D data judgement of outcome.