cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.7489117
title: Sargassum sp extract improve Hematological profile of Tilapia fish (Oreochromis niloticus)

description: Strategies to increase body resistance and prevent disease in cultivation include using vaccines, antibiotics, and probiotics. Today, the use of antibiotics with natural ingredients is becoming a trend. One of the natural ingredients that contain high antioxidants and antibiotics is <em>Sargassum</em> sp. This research was conducted from March to May 2022 at the Biotechnology Laboratory, Faculty of Fisheries and Marine, Universitas Riau. This research was conducted in two stages, namely 1) the sensitivity of extracts of <em>Sargassum</em> sp. and 2) the application of <em>Sargassum</em> sp. extract orally in tilapia (<em>O. niloticus</em>). The results showed that the extract of <em>Sargassum</em> sp. was able to inhibit the growth o<em>f Aeromonas hydrophila </em>bacteria with a clear zone of 6.5-15.0 mm, which is classified as resistant. At doses of 2000, 2500, and 3000 ppm, it did not cause death in fish for 96 hours (LD<sub>50</sub>). Hematological parameters can be a sign of the health status of fish. Tilapia given to the addition of <em>Sargassum</em> sp. with different doses gave an effect between treatments, both after 30 days of rearing and post-test against <em>A.hydrophila</em> bacteria (p&lt;0.05). The results showed that the hematology of fish fed with <em>Sargassum</em> sp. extract was in the normal or healthy range. Healthy tilapia had erythrocyte counts ranging from 1.34-2.11 x10<sup>6</sup> cells/mm<sup>3</sup>, hematocrit 26.17-33.19%, hemoglobin 6.26-11.2 g/dL and total leukocytes 1.01-1.50 x10<sup>4</sup> cells/mm<sup>3</sup> and total erythrocytes 5.88-9.13x10<sup>4</sup> cells/ mm<sup>3</sup>. A dose of 3000 ppm provided the highest health improvement against <em>A.hydrophila</em> bacterial infection
DOI: 10.6084/m9.figshare.21766859
title: All data and analyses MSH CONNECT

description: All data and code for the analyses in "Spatial habitat structure assembles willow-dependent communities across the primary successional watersheds of Mount St. Helens" by Minsavage-Davis et al. 2023.
DOI: 10.6084/m9.figshare.21766859.v6
title: All data and analyses MSH CONNECT

description: All data and code for the analyses in "Spatial habitat structure assembles willow-dependent communities across the primary successional watersheds of Mount St. Helens" by Minsavage-Davis et al. 2023.
DOI: 10.6084/m9.figshare.21766859.v5
title: All data and analyses

description: All data and code for the analyses in "Spatial habitat structure assembles willow-dependent communities across the primary successional watersheds of Mount St. Helens" by Minsavage-Davis et al. 2023.
DOI: 10.23729/aa2ec443-83bb-4b68-a02d-4d3fc7bc0fbd
title: X-ray diffraction frames of MECR wild type and MECR G165Q (PDB codes 7AYB and 7AYC).

description: The X-ray datasets of a wild type and a G165Q mutant of human 2E-enoyl-ACP reductase (MECR) collected at Diamond Light Source, beamline I04 (May/2019). Also the data processing files are present in a separate folder.
DOI: 10.6084/m9.figshare.16635919
title: All data and R scripts

description: All data and R scripts for FIRE article "Evaluating the performance of fire rate of spread models in northern-European <em>Calluna vulgaris</em> heathlands." Cite the article: https://doi.org/10.3390/fire5020046 <br>
DOI: 10.6084/m9.figshare.16635919.v3
title: All data and R scripts

description: All data and R scripts for FIRE article "Evaluating the performance of fire rate of spread models in northern-European <i>Calluna vulgaris</i> heathlands."<br>
DOI: 10.6084/m9.figshare.20063225
title: Assessing trade-offs in avian behaviour using remotely collected data from a webcam

description: Three files are contained within this data set. These files are associated with our published paper on trade-offs in swan behaviour: Wood KA, Lacey R, Rose PE (2022) Assessing trade-offs in avian behaviour using remotely collected data from a webcam. PLoS ONE 17(7): e0271257. https://doi.org/10.1371/journal.pone.0271257 <br> The files are: <br> 1) "Raw data.csv": This file contains the raw observational data collected for each observed swan. The proportion of observed time spent on each type of behaviour is presented, along with information about the date and time of observation. 2) "SwanBehaviour.csv": This file contains the variables used in the analyses described in our published paper. 3) "SwanBehaviourScript.R": An annotated R script that runs all of the analyses described in our published paper.
DOI: 10.6084/m9.figshare.11728752
title: Long-term trends in the survival rates of adult female Common Eider Somateria mollissima at three colonies in Iceland

description: The R code, environmental variable data, and encounter histories used in our study of the survival rates of Common Eider (<em>Somateria mollissima</em>) at three breeding colonies in Iceland. These files are associated with our published paper: Wood, K.A., Thorstensen, S., Lúðvíksson, S.J., Brides, K. & Petersen, A. (2021). Long‐term trends in the survival rates of adult female Common Eider Somateria mollissima at three colonies in Iceland. Ibis, 163(2), 671-683. https://doi.org/10.1111/ibi.12893
DOI: 10.6084/m9.figshare.11728752.v2
title: Long-term trends in the survival rates of adult female Common Eider Somateria mollissima at three colonies in Iceland

description: The R code, environmental variable data, and encounter histories used in our study of the survival rates of Common Eider (<em>Somateria mollissima</em>) at three breeding colonies in Iceland. These files are associated with our published paper: Wood, K.A., Thorstensen, S., Lúðvíksson, S.J., Brides, K. & Petersen, A. (2021). Long‐term trends in the survival rates of adult female Common Eider Somateria mollissima at three colonies in Iceland. Ibis, 163(2), 671-683. https://doi.org/10.1111/ibi.12893
DOI: 10.6084/m9.figshare.11728752.v1
title: Long-term trends in the survival rates of adult female Common Eider Somateria mollissima at three colonies in Iceland

description: The R code, environmental variable data, and encounter histories used in our study of the survival rates of Common Eider (<i>Somateria mollissima</i>) at three breeding colonies in Iceland.
DOI: 10.34740/kaggle/dsv/4782077
title: COVID Vaccination in World (updated daily)
DOI: 10.6084/m9.figshare.21407934.v2
title: G×G×E effect on phenotype expression in the unicellular slime mould Physarum polycephalum

description: We developed a genetic panel of the unicellular slime mould, <em>Physarum polycephalum</em> containing strains differing in mitochondrial and nuclear DNA haplotypes. The panel included two strains harbouring a selfishly replicating mitochondrial-fusion (mF) plasmid that could affect phenotype expression. We assayed movement and growth rate differences among the strains across two temperature regimes: 24° and 28°C. The dataset contains raw data from growth rate (exp 2 growth rate.csv) and movement (exp 1 race track.csv) assays. Also included are the excel spreadsheet containing the mean phenotype values for the six mitonuclear strains across both temperatures (inter trait correlation.csv), R script file used for data analyses and a spreadsheet containing the list of gene sequences generated in the study.
DOI: 10.58038/ktrr1260
title: 16srRNA athlets

description: FASTQ files of 16S rRNA microbiomes analysis.
DOI: 10.6084/m9.figshare.21786848
title: Dimensionality-confined superconductivity within SrNbO3-SrTiO3 heterostructures

description: data
DOI: 10.6084/m9.figshare.21786848.v1
title: Dimensionality-confined superconductivity within SrNbO3-SrTiO3 heterostructures

description: data
DOI: 10.26302/sshade/experiment_lb_20210201_001
title: NIR reflectance spectrum (i=0°, e=30°) of raw pieces, powdered samples and polished sections of ungrouped carbonaceous chondrites under ambient pressure and temperature

description: NIR reflectance spectrum (i=0°, e=30°) of raw pieces, powdered samples and polished sections of NWA 12957, Chwichiya 002, NWA 11750, NWA 11086, Aydar 003, NWA 5958,El Medano 100, El Medano 200, Acfer 094, Dhofar 2066, Kakangari, Los Vientos 200, NWA 8781, NWA 12472, NWA 12474, Sierra Gorda 009, Awsserd, Los Vientos 051, NWA 12334, NWA 12480, Coolidge and Jiddat Al Harasis 846 under ambient pressure and temperature
DOI: 10.6084/m9.figshare.21786962.v1
title: Supplementary Material for: Age, GFR and ejection fraction score as a good predictor of prognosis in elderly patients with nonischemic dilated cardiomyopathy

description: Introduction: Nonischemic dilated cardiomyopathy (NIDCM) is a heterogeneous disease, and patients still have high risk of sudden cardiac death even after receiving treatment. The Selvester QRS score and the ESTIMATED score reported as predictors contain many variables and are complex to calculate. There is a need for a simple predictive score to accurately assess prognosis in clinical practice. Methods: A total of 953 elderly patients (age ≥60 years) diagnosed with NIDCM were enrolled from January 2010 to December 2019. In-hospital and long-term outcomes were studied. Results: Univariate logistic regression analysis showed that the AGEF score was associated with in-hospital mortality (OR: 1.828; 95% CI: 1.559~2.144; p&lt;0.001). Receiver operator characteristic (ROC) curve analysis showed that the AGEF score was excellent at predicting clinical outcomes. The optimal cutoff value of the AGEF score for predicting long-term mortality was 2.50 (AUC=0.743; 95% CI: 0.710~0.776; p&lt;0.001). Kaplan–Meier survival analysis showed that patients with an AGEF score &gt;2.50 had a worse prognosis than those with an AGEF score ≤2.50 (log-rank χ2 103.69, p&lt;0.001). Moreover, multivariate Cox proportional hazard analysis showed that an AGEF score ≤2.50 was associated with a lower risk of long-term mortality in elderly patients with NIDCM (HR: 0.405; 95% CI: 0.310~0.529; p&lt;0.001). Conclusions: The AGEF score could be considered as a simple and useful tool for risk stratification in elderly patients with NIDCM.
DOI: 10.20372/aau_rdr/thrdhi/iuaqvo
title: Elisabeth Gorfu Row Data.tab

description: The row data that has been used for thesis work for the partial fulfillment of MSc degree in Food Security and Development.
DOI: 10.20372/aau_rdr/thrdhi
title: ASSESSMENT OF HOUSEHOLDS’ VULNERABILITY TO FLOOD ALONG GINFLE WATERSHED AND THEIR RISK MANAGEMENT STRATEGIES, ADDIS ABABA, ETHIOPIA

description: A row data used for thesis work for the accomplishment of MSc degree in Food Security and Development
DOI: 10.6084/m9.figshare.14637055
title: BSA-drug-ZnO-PEI conjugates interaction with glycans of gp60 endothelial cell receptor protein for targeted drug delivery: a comprehensive spectroscopic study

description: The zinc oxide (ZnO) nanoparticles (NPs) have several biomedical applications such as drug delivery, bio-imaging, and biomedical research. ZnO NPs were remedied with polyethyleneimine (PEI) and modified with bovine serum albumin (BSA). Two anticancer drugs - Cisplatin (CIS) and Gemcitabine (GEM) were used in conjugation with BSA. BSA-ZnO-PEI (conjugate 1), BSA-CIS-ZnO-PEI (conjugate 2), and BSA-GEM-ZnO-PEI (conjugate 3) can be used for targeted drug delivery via glycans - N-acetylneuraminic acid (NANA), L-fucose (FUC), N-acetyl glucosamine (NAG), D-mannose (MAN), and D-galactose (GAL), of albumin binding membrane receptor protein (gp60). Considerable interaction and the strong binding of conjugate 2 and conjugate 3 with NANA were observed by UV-visible absorption and fluorescence spectra. The electrostatic stability of conjugate 2 and conjugate 3 with NANA was considerably increased in comparison to conjugate 1 as evident with zeta potential values. The fluorescence quenching data (Ksv and kq) and binding parameters (K and n) of BSA-CIS, BSA-GEM, conjugate 2, and conjugate 3 with NANA and FUC attributes to the strong binding. Amide I and amide III bands of the Raman signal suggested insignificant loss in alpha-helical and beta-sheet content of conjugate 2 and conjugate 3 with NANA and FUC. Therefore, the present study is going to assist in the comprehensive development of conjugates for targeted drug delivery based on the differential glycation pattern of gp60 protein. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.14637055.v1
title: BSA-drug-ZnO-PEI conjugates interaction with glycans of gp60 endothelial cell receptor protein for targeted drug delivery: a comprehensive spectroscopic study

description: The zinc oxide (ZnO) nanoparticles (NPs) have several biomedical applications such as drug delivery, bio-imaging, and biomedical research. ZnO NPs were remedied with polyethyleneimine (PEI) and modified with bovine serum albumin (BSA). Two anticancer drugs - Cisplatin (CIS) and Gemcitabine (GEM) were used in conjugation with BSA. BSA-ZnO-PEI (conjugate 1), BSA-CIS-ZnO-PEI (conjugate 2), and BSA-GEM-ZnO-PEI (conjugate 3) can be used for targeted drug delivery via glycans - N-acetylneuraminic acid (NANA), L-fucose (FUC), N-acetyl glucosamine (NAG), D-mannose (MAN), and D-galactose (GAL), of albumin binding membrane receptor protein (gp60). Considerable interaction and the strong binding of conjugate 2 and conjugate 3 with NANA were observed by UV-visible absorption and fluorescence spectra. The electrostatic stability of conjugate 2 and conjugate 3 with NANA was considerably increased in comparison to conjugate 1 as evident with zeta potential values. The fluorescence quenching data (Ksv and kq) and binding parameters (K and n) of BSA-CIS, BSA-GEM, conjugate 2, and conjugate 3 with NANA and FUC attributes to the strong binding. Amide I and amide III bands of the Raman signal suggested insignificant loss in alpha-helical and beta-sheet content of conjugate 2 and conjugate 3 with NANA and FUC. Therefore, the present study is going to assist in the comprehensive development of conjugates for targeted drug delivery based on the differential glycation pattern of gp60 protein. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.14483411
title: Combined use of the hepatitis C drugs and amentoflavone could interfere with binding of the spike glycoprotein of SARS-CoV-2 to ACE2: the results of a molecular simulation study

description: The worldwide rapid spread of the COVID-19 disease necessitates the search for fast and effective treatments. The repurposing of existing drugs seems to be the best solution in this situation. In this study, the molecular docking method was used to test 248 drugs against the receptor-binding domain (RBD) of spike glycoprotein of SARS-CoV-2, which is responsible for viral entry into the host cell. Among the top-ranked ligands are drugs that are used for hepatitis C virus (HCV) treatments (paritaprevir, ledipasvir, simeprevir) and a natural biflavonoid amentoflavone. The binding sites of the HCV drugs and amentoflavone are different. Therefore, the ternary complexes of the HCV drug, amentoflavone, and RBD can be created. For the 5 top-ranked ligands, the validating molecular dynamics simulations of binary and ternary complexes with RBD were performed. According to the MMPBSA-binding free energies, the HCV drugs ledipasvir and paritaprevir (in a neutral form) are the most efficient binders of the RBD when used in combination with amentoflavone. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.14483411.v1
title: Combined use of the hepatitis C drugs and amentoflavone could interfere with binding of the spike glycoprotein of SARS-CoV-2 to ACE2: the results of a molecular simulation study

description: The worldwide rapid spread of the COVID-19 disease necessitates the search for fast and effective treatments. The repurposing of existing drugs seems to be the best solution in this situation. In this study, the molecular docking method was used to test 248 drugs against the receptor-binding domain (RBD) of spike glycoprotein of SARS-CoV-2, which is responsible for viral entry into the host cell. Among the top-ranked ligands are drugs that are used for hepatitis C virus (HCV) treatments (paritaprevir, ledipasvir, simeprevir) and a natural biflavonoid amentoflavone. The binding sites of the HCV drugs and amentoflavone are different. Therefore, the ternary complexes of the HCV drug, amentoflavone, and RBD can be created. For the 5 top-ranked ligands, the validating molecular dynamics simulations of binary and ternary complexes with RBD were performed. According to the MMPBSA-binding free energies, the HCV drugs ledipasvir and paritaprevir (in a neutral form) are the most efficient binders of the RBD when used in combination with amentoflavone. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.14524314
title: Molecular phylogeny, structure modeling and <i>in silico</i> screening of putative inhibitors of aerolysin of <i>Aeromonas hydrophila</i> EUS112

description: <i>Aeromonas hydrophila,</i> a Gram-negative bacterium, causes diseases in fish, resulting in excessive loss to the aquaculture industry. <i>Aeromonas</i> is a highly heterogeneous group of bacteria, and the heterogeneity of the genus is attributed to variation and diversity in the virulence factors and toxins among various <i>Aeromonas</i> strains. One of the major toxins aerolysin, secreted by the bacterium, causes hemorrhagic-septicemia and diarrhea and can serve as a drug target. Here, we describe characterization, molecular phylogeny, and homology modeling of the aerolysin of <i>A. hydrophila</i> strain EUS112 (<i>Ah<sub>EUS112</sub></i>) cloned in our lab. The encoded aerolysin is 485 amino acids long with an N-terminal signal sequence of 23 amino acids. Phylogenetic analysis of the aerolysin of <i>Ah<sub>EUS112</sub></i> revealed that it belongs to a diverse group of toxins, showing maximum similarity with aerolysins of other <i>Aeromonas</i> strains followed by <i>Vibrio</i> toxin. The homology model of the mature aerolysin of <i>Ah<sub>EUS112</sub></i> was generated using the crystal structure of a mutant aerolysin (PDB#3g4n) as the template, which showed that the encoded aerolysin exists as a channel protein. Validation of the generated model using bioinformatics tool confirmed it to be a good quality model that can be used for drug design. Molecular dock analysis revealed that drugs, aralia-saponin I, cyclamin, ardisiacrispin B, and aralia-saponin II bind to aerolysin with a higher affinity as compared to other drugs and at functionally important amino acids of aerolysin. Hence, these molecules can act as an effective therapeutics for inhibiting the aerolysin pore formation and curtail the severity of <i>Aeromonas</i> infection. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.14524314.v1
title: Molecular phylogeny, structure modeling and <i>in silico</i> screening of putative inhibitors of aerolysin of <i>Aeromonas hydrophila</i> EUS112

description: <i>Aeromonas hydrophila,</i> a Gram-negative bacterium, causes diseases in fish, resulting in excessive loss to the aquaculture industry. <i>Aeromonas</i> is a highly heterogeneous group of bacteria, and the heterogeneity of the genus is attributed to variation and diversity in the virulence factors and toxins among various <i>Aeromonas</i> strains. One of the major toxins aerolysin, secreted by the bacterium, causes hemorrhagic-septicemia and diarrhea and can serve as a drug target. Here, we describe characterization, molecular phylogeny, and homology modeling of the aerolysin of <i>A. hydrophila</i> strain EUS112 (<i>Ah<sub>EUS112</sub></i>) cloned in our lab. The encoded aerolysin is 485 amino acids long with an N-terminal signal sequence of 23 amino acids. Phylogenetic analysis of the aerolysin of <i>Ah<sub>EUS112</sub></i> revealed that it belongs to a diverse group of toxins, showing maximum similarity with aerolysins of other <i>Aeromonas</i> strains followed by <i>Vibrio</i> toxin. The homology model of the mature aerolysin of <i>Ah<sub>EUS112</sub></i> was generated using the crystal structure of a mutant aerolysin (PDB#3g4n) as the template, which showed that the encoded aerolysin exists as a channel protein. Validation of the generated model using bioinformatics tool confirmed it to be a good quality model that can be used for drug design. Molecular dock analysis revealed that drugs, aralia-saponin I, cyclamin, ardisiacrispin B, and aralia-saponin II bind to aerolysin with a higher affinity as compared to other drugs and at functionally important amino acids of aerolysin. Hence, these molecules can act as an effective therapeutics for inhibiting the aerolysin pore formation and curtail the severity of <i>Aeromonas</i> infection. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.14452924
title: DFT computational study of trihalogenated aniline derivative’s adsorption onto graphene/fullerene/fullerene-like nanocages, X<sub>12</sub>Y<sub>12</sub> (X = Al, B, and Y = N, P)

description: Adsorption of 2,4,6-tribromoaniline (BA), 2,4,6-trifluoroaniline (FA) and 2,4,6-trichloroaniline (CA) onto the surface of coronene/fullerene/fullerene-like nanocages was investigated by theoretical calculations. Due to the adsorption of BA/FA/CA, there are significant changes in chemical descriptors and nonlinear optical properties. Energy gap values of all nanoclusters are lowered, giving an increase in conductivity of complexes except for fullerene. All complex’s ultraviolet visible wavenumber is blue-shifted and especially for fullerene complex, the values are very high. The enhancement of Raman intensities shows that it is possible to design a nanocage sensor for detecting these compounds by surface-enhanced Raman scattering (SERS). Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.14452924.v1
title: DFT computational study of trihalogenated aniline derivative’s adsorption onto graphene/fullerene/fullerene-like nanocages, X<sub>12</sub>Y<sub>12</sub> (X = Al, B, and Y = N, P)

description: Adsorption of 2,4,6-tribromoaniline (BA), 2,4,6-trifluoroaniline (FA) and 2,4,6-trichloroaniline (CA) onto the surface of coronene/fullerene/fullerene-like nanocages was investigated by theoretical calculations. Due to the adsorption of BA/FA/CA, there are significant changes in chemical descriptors and nonlinear optical properties. Energy gap values of all nanoclusters are lowered, giving an increase in conductivity of complexes except for fullerene. All complex’s ultraviolet visible wavenumber is blue-shifted and especially for fullerene complex, the values are very high. The enhancement of Raman intensities shows that it is possible to design a nanocage sensor for detecting these compounds by surface-enhanced Raman scattering (SERS). Communicated by Ramaswamy H. Sarma
DOI: 10.5517/ccdc.csd.cc2b06rb
title: CCDC 2145161: Experimental Crystal Structure Determination

description: Related Article: Guangying Tan, Mowpriya Das, Roman Kleinmans, Felix Katzenburg, Constantin Daniliuc, Frank Glorius|2022|Nat. Catal.|5|1120|doi:10.1038/s41929-022-00883-3
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.cc2b06sc
title: CCDC 2145162: Experimental Crystal Structure Determination

description: Related Article: Guangying Tan, Mowpriya Das, Roman Kleinmans, Felix Katzenburg, Constantin Daniliuc, Frank Glorius|2022|Nat. Catal.|5|1120|doi:10.1038/s41929-022-00883-3
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.