cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
2-Hydroxymethyl-18-crown-6 as an efficient organocatalyst for α-aminophosphonates synthesized under eco-friendly conditions, DFT, molecular docking and ADME/T studies
Creators: name: Guezane-Lakoud, Samia
name: Ferrah, Meriem
name: Merabet-Khelassi, Mounia
name: Touil, Nourhane
name: Toffano, Martial
name: Aribi-Zouioueche, Louisa
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biochemistry
subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: Pharmacology
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified

description: Eco-friendly and simple procedure has been developed for the synthesis of α-aminophosphonates that act as topoisomerase II α-inhibiting anticancer agent, using 2-hydroxymethyl-18-crown-6 as an unexpected homogeneous organocatalyst in multicomponents reaction of aromatic aldehyde, aniline and diethylphosphite in one pot via Kabachnik–Fields reaction. This efficient method proceeds with catalytic amount, transition metal-free, at room temperature within short reaction time, giving the α-aminophosphonates derivatives (4a–r) in high chemical yields (up to 80%). Theoretical DFT calculations of three compounds (4p, 4q and 4r) were carried out in a gas phase at CAM-B3LYP 6-31G (d,p) basis set to predict the molecular geometries and chemical reactivity descriptors. The frontier orbital energies (HOMO/LUMO) were described the charge transfer and used to predict structure-activity relationship study. Molecular electrostatic potential (MEP) has also been analyzed. Molecular docking studies are implemented to analyze the binding energy and compared with Adriamycin against 1ZXM receptor which to be considered as antitumor candidates. In silico pharmacological ADMET properties as Drug likeness and oral activity have been carried out based on Lipinski’s rule of five. Communicated by Ramaswamy H. Sarma
Speaker's Corner pitch for KU Leuven Open Day 2022
Creators: name: Wojtaczka, Wiktoria
Publisher: name: Zenodo
Year: 2022
Subjects: Radionuclide production
Cancer research
Nuclear Medicine
ISOL method

description: Speaker’s Corner pitch performed at KU Leuven Open Day 2022 explaining how we produce medical radioisotopes. Audience Award winner.
description: Funded by FWO grant S005019N (Tb-IRMA-V project)
Discovery of plant-based phytochemical as effective antivirals that target the non-structural protein C of the Nipah virus through computational methods
Creators: name: Sureshan, Muthusamy
name: Prabhu, Dhamodharan
name: Joshua, Sharon Nissi
name: Sasikumar, Shruti Vardhini
name: Rajamanikandan, Sundarraj
name: Govindhapriya, Muthukumar
name: Umadevi, Venkatachalam
name: Kadhirvel, Saraboji
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Medicine
subject: Chemical Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Infectious Diseases
subject: FOS: Health sciences
subject: Plant Biology
subject: FOS: Biological sciences
subject: Virology

description: Nipah Virus (NiV) belongs to the Paramyxoviridae family and was first identified during an outbreak in Malaysia. Some initial symptoms include mild fever, headache and sore throat, which could escalate to respiratory illness and brain inflammation. The mortality rate of NiV infection can range from 40% to 75%, which is quite high. This is mainly due to the lack of efficient drugs and vaccines. In most instances, NiV is transmitted from animals to humans. Non-Structural Proteins (C, V and W) of the Nipah virus impede the host immune response by obstructive the JAK/STAT pathway. However, Non-Structural Proteins – C (NSP-C) plays a vital role in NiV pathogenesis, which includes IFN antagonist activity and viral RNA production. In the present study, the full-length structure of NiV-NSP-C was predicted using computational modelling, and the stability of the structure was analysed using 200 ns molecular dynamic (MD) simulation. Further, the structure-based virtual screening identified five potent phytochemicals (PubChem CID: 9896047, 5885, 117678, 14887603 and 5461026) with better binding affinity against NiV-NSP-C. DFT studies clearly showed that the phytochemicals had higher chemical reactivity, and the complex MD simulation depicted that the identified inhibitors exhibited stable binding with NiV-NSP-C. Furthermore, experimental validation of these identified phytochemicals would likely control the infection of NiV. Communicated by Ramaswamy H. Sarma
Additional file 1: Table S1. of Ubiquitous giants: a plethora of giant viruses found in Brazil and Antarctica
Creators: name: Andrade, Ana
name: Thalita Arantes
name: Rodrigues, Rodrigo
name: Talita Machado
name: Fábio Dornas
name: Landell, Melissa
name: Furst, Cinthia
name: Luiz Borges
name: Dutra, Lara
name: Almeida, Gabriel
name: Trindade, Giliane De S.
name: Bergier, Ivan
name: Abrahão, Walter
name: Iara Borges
name: Cortines, Juliana
name: Oliveira, Danilo De
name: Kroon, Erna
name: Jônatas Abrahão
Publisher: name: figshare
Year: 2018
Subjects: subject: Space Science
subject: Medicine
subject: Evolutionary Biology
subject: FOS: Biological sciences
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: Ecology
subject: 69999 Biological Sciences not elsewhere classified
subject: Developmental Biology
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 60506 Virology

description: Identification and locations of viruses isolated. (DOCX 34 kb)
title: ADCO, Cartulaire de l'abbaye de Cîteaux dit Cartulare Antiquum t.1 (début XIIIe siècle), Cart. 166 (11 H 64), 136 folios, f. 0095r
Creators: name: de la Côte d'Or, Archives départementales
name: CG21/F.PETOT/2012
name: Petot, Frédéric
name: Archives Départementales De La Côte-D'Or
name: Petot, Frédérique
name: Projet CBMA
Publisher: name: NAKALA - https://nakala.fr (Huma-Num - CNRS)
publisherIdentifier: https://ror.org/04ces3204
publisherIdentifierScheme: ROR
Year: 2020
Subjects: subject: Corpus Burgundiae Medii Aevi
subject: Chartes de la Bourgogne du Moyen Âge
subject: LaMOP
subject: Laboratoire de Médiévistique Occidentale de Paris
subject: cartulaire

description: Cartulaire de l'abbaye de Cîteaux dit Cartulare Antiquum t.1 (début XIIIe siècle), Archives départementales de la Côte-d'Or, Cart. 166 (11 H 64), 136 folios, f. 0095r, Numérisation en mode image.
description: Relation: http://www.cbma-project.eu/
description: Bibliographic citation: Cartulaire de l'abbaye de Cîteaux dit Cartulare Antiquum t.1 (début XIIIe siècle), Archives départementales de la Côte-d'Or, Cart. 166 (11 H 64), 136 folios, f. 0095r, in Projet CBMA - Corpus Burgundiae Medii Aevi [Ressource en ligne], https:// manuscrits.cbma-project.eu/
description: Provenance: https://www.geonames.org/3024876
description: Provenance: http://www.idref.fr/030974844/id
description: Provenance: https://catalogue.bnf.fr/ark:/12148/cb12228351v
description: Provenance: abbaye de Cîteaux
description: Provenance: http://www.wikidata.org/entity/Q843261
Additional file 2: of A multi-center, randomized controlled clinical trial, cost-effectiveness and qualitative research of electroacupuncture with usual care for patients with non-acute pain after back surgery: study protocol for a randomized controlled trial
Creators: name: Byung-Cheul Shin
name: Jae-Heung Cho
name: In-Hyuk Ha
name: Heo, In
name: Jun-Hwan Lee
name: Koh-Woon Kim
name: Me-Riong Kim
name: Jung, So-Young
name: Ojin Kwon
name: Nam-Kwen Kim
name: Haeng-Mi Son
name: Dong-Wuk Son
name: Shin, Kyung-Min
Publisher: name: figshare
Year: 2018
Subjects: Medicine
Cell Biology
Neuroscience
Cancer
Science Policy

description: SPIRIT 2013 checklist. (DOC 137 kb)
Additional file 2: Table S2. of Molecular profiling of lung cancer specimens and liquid biopsies using MALDI-TOF mass spectrometry
Creators: name: Bonaparte, Eleonora
name: Pesenti, Chiara
name: Fontana, Laura
name: Falcone, Rossella
name: Paganini, Leda
name: Marzorati, Anna
name: Ferrero, Stefano
name: Nosotti, Mario
name: Mendogni, Paolo
name: Bareggi, Claudia
name: Sirchia, Silvia
name: Tabano, Silvia
name: Bosari, Silvano
name: Miozzo, Monica
Publisher: name: figshare
Year: 2018
Subjects: subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Genetics
subject: Physiology
subject: Biotechnology
subject: Evolutionary Biology
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: Developmental Biology
subject: Cancer
subject: 110309 Infectious Diseases
subject: FOS: Health sciences

description: List of alterations (base substitutions, deletions, and insertions) included in the MS panel. On the left, mutations not distinguishable from one another are indicated by the same number. (DOCX 30 kb)
Investigation on the mechanisms by which the herbal remedies induce anti-prostate cancer activity: uncovering the most practical natural compound
Creators: name: Poustforoosh, Alireza
name: Faramarz, Sanaz
name: Negahdaripour, Manica
name: Tüzün, Burak
name: Hashemipour, Hassan
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Biochemistry
Cell Biology
Molecular Biology
Pharmacology
Biotechnology
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Cancer

description: Prostate cancer (PCa) is one of the most reported cancers among men worldwide. Targeting the essential proteins associated with PCa could be a promising method for cancer treatment. Traditional and herbal remedies (HRs) are the most practical approaches for PCa treatment. Here, the proteins and enzymes associated with PCa were determined based on the information obtained from the DisGeNET database. The proteins with a gene-disease association (GDA) score greater than 0.7 and the genes that have a disease specificity index (DSI) = 1 were selected as the target proteins. 28 HRs with anti-PCa activity as a traditional treatment for PCa were chosen as potential bioactive compounds. More than 500 compound-protein complexes were screened to find the top-ranked bioactives. The results were further evaluated using the molecular dynamics (MD) simulation and binding free energy calculations. The outcomes revealed that procyanidin B2 3,3′‐di‐O‐gallate (B2G2), the most active ingredient of grape seed extract (GSE), can act as an agonist for PTEN. PTEN has a key role in suppressing PCa cells by applying phosphatase activity and inhibiting cell proliferation. B2G2 exhibited a considerable binding affinity to PTEN (11.643 kcal/mol). The MD results indicated that B2G2 could stabilize the key residues of the phosphatase domain of PTEN and increase its activity. Based on the obtained results, the active ingredient of GSE, B2G2, could play an agonist role and effectively increase the phosphatase activity of PTEN. The grape seed extract is a useful nutrition that can be used in men’s diets to inhibit PCa in their bodies. Communicated by Ramaswamy H. Sarma
Carboxylic acid derivatives suppress the growth of Aspergillus flavus through the inhibition of fungal alpha-amylase
Creators: name: Hima, Sree
name: Remya, Chandran
name: Sadasivan, C.
name: Dileep, K.V.
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biochemistry
subject: Space Science
subject: Microbiology
subject: FOS: Biological sciences
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Ecology
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Plant Biology

description: Aspergillus favus (A. flavus) is a saprophytic fungus and a pathogen affecting several important foods and crops, including maize. A. flavus produces a toxic secondary metabolite called aflatoxin. Alpha-amylase (α-amylase), a hydrolytic enzyme produced by A. Flavus helps in the production of aflatoxin by hydrolysing the starch molecules in to simple sugars such as glucose and maltose. These simple sugars induce the production of aflatoxin. Inhibition of α-amylase has been proven as a potential way to reduce the production of aflatoxin. In the present study, we investigated the effect of selected carboxylic acid derivatives such as cinnamic acid (CA), 2, 4-dichlorophenoxyacetic acid (2,4-D), and 3-(4-hydroxyphenyl)-propionic acid (3,4-HPPA) on the fungal growth and for the α-amylase inhibitory activity. The binding potentials of these compounds with α-amylase have been confirmed by enzyme kinetics and isothermal titration calorimetry. Molecular docking and MD simulation studies were also performed to deduce the atomic level interaction between the protein and selected ligands. The results indicated that CA, 2,4-D and 3,4-HPPA can inhibit the fungal growth which could be partly due to the inhibition on fungal α-amylase activity. Communicated by Ramaswamy H. Sarma
Identification of IL-2 inducible tyrosine kinase inhibitors by quantum mechanics and ligand based virtual screening approaches
Creators: name: Khan, Alamgir
name: Zia, Komal
name: Khan, Salman Ali
name: Khalid, Asaad
name: Abdalla, Ashraf N.
name: Bibi, Marium
name: Ul-Haq, Zaheer
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Cell Biology
subject: Molecular Biology
subject: Pharmacology
subject: Chemical Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Cancer

description: Interleukin-2-inducible T-cell kinase (ITK) is a crucial intracellular signaling mediator in normal and malignant T-cells and natural killer cells. Selective inhibition of ITK might be useful for treating a variety of disorders including; autoimmune, inflammatory, and neoplastic disorders. Over the past two decades, the clinical management of ITK inhibitors has progressed dramatically. So far, specific inhibitor with no off-target effects against ITK is available. Herein, we aim to discover potential virtual hits to fasten the process of drug design and development against ITK. In this regard, the key chemical characteristics of ITK inhibitors were identified using ligand-based pharmacophore modeling. The validated pharmacophore comprises one hydrogen bond donor and three hydrogen bond acceptors and was utilized as a 3D query in virtual screening using ZINC, Covalent, and in-house databases. A total of 12 hit compounds were chosen on the basis of their critical interactions with the significant amino acids of ITK. The orbital energies such as HOMO and LUMO of the hit compounds were calculated to evaluate the inhibitor’s potencies. Further, molecular dynamics simulation demonstrated the stability of ITK upon binding of selected virtual hits. Binding energy using the MMGBSA method showed the potential binding affinity of all the hits with ITK. The research identifies key chemical characteristics with geometric restrictions that lead to ITK inhibition. Communicated by Ramaswamy H. Sarma
Additional file 2 of Alterations of bacteriome, mycobiome and metabolome characteristics in PCOS patients with normal/overweight individuals
Creators: name: Yin, Guoshu
name: Chen, Fu
name: Chen, Guishan
name: Yang, Xiaoping
name: Huang, Qingxia
name: Chen, Lan
name: Chen, Minjie
name: Zhang, Weichun
name: Ou, Miaoqiong
name: Cao, Man
name: Lin, Hong
name: Chen, Man
name: Xu, Hongzhi
name: Ren, Jianlin
name: Chen, Yongsong
name: Chen, Zhangran
Publisher: name: figshare
Year: 2022
Subjects: subject: Biochemistry
subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Genetics
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Ecology
subject: Biological Sciences not elsewhere classified
subject: Mathematical Sciences not elsewhere classified
subject: Cancer

description: Additional file 2: Figure S1. Distribution of bacterial taxa at the phylum level and genus level; Figure S2. Reveal of characteristic bacterial taxa based on LDA Effect Size (LEfSe) analysis between Healthy-LB and PCOS-LB, between Healthy-HB and PCOS-HB; Figure S3. Distribution of fungal taxa at the phylum level and genus level; Figure S4. Reveal of characteristic fungal taxa based on LDA Effect Size (LEfSe) analysis between Healthy-LB and PCOS-LB; Figure S5. Reveal of characteristic fungal taxa based on LDA Effect Size (LEfSe) analysis between Healthy-HB and PCOS-HB; Figure S6. Serum metabolome changes in disease and healthy subjects; Figure S7. Reveal of characteristic metabolites based on LDA Effect Size (LEfSe) analysis between Healthy-LB and PCOS-LB; Figure S8. Reveal of characteristic metabolites based on LDA Effect Size (LEfSe) analysis between Healthy-HB and PCOS-HB; Figure S9. The bacterial genera and predicted pathway features were excavated on the base of Wilcox test comparison and Mean Decrease Gini by random forest importance parameter; Figure S10. The fungal genera and metabolites were excavated on the base of Wilcox test comparison and Mean Decrease Gini by random forest importance parameter; Figure S11. Correlation between bacterial diversity and fungal diversity.
Design, synthesis, biological evaluation and docking analysis of pyrrolidine-benzenesulfonamides as carbonic anhydrase or acetylcholinesterase inhibitors and antimicrobial agents
Creators: name: Poyraz, Samet
name: Döndaş, H. Ali
name: Yamali, Cem
name: Belveren, Samet
name: Demir, Yeliz
name: Aydınoglu, Sabriye
name: Döndaş, Naciye Yaktubay
name: Taskin-Tok, Tugba
name: Taş, Senanur
name: Ülger, Mahmut
name: Sansano, Jose M.
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Biochemistry
Pharmacology
Biotechnology
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Information Systems not elsewhere classified
Virology

description: The synthesis and biological assessment of novel multi-functionalized pyrrolidine-containing benzenesulfonamides were reported along with their antimicrobial, antifungal, CAs inhibition, and AChE inhibition as well as DNA-binding effects. The chemical structure of the compounds was elucidated by using FTIR, NMR, and HRMS. Compound 3b, which had Ki values of 17.61 ± 3.58 nM (hCA I) and 5.14 ± 0.61 nM (hCA II), was found the be the most potent CAs inhibitor. Compounds 6a and 6b showed remarkable AChE inhibition effects with Ki values 22.34 ± 4.53 nM and 27.21 ± 3.96 nM in comparison to tacrine. Compounds 6a–6c had moderate antituberculosis effect on M. tuberculosis with a MIC value of 15.62 μg/ml. Compounds had weaker antifungal and antibacterial activity in the range of MIC 500–62.5 μg/ml against standard bacterial and fungal strains. Besides these above, molecular docking studies were performed to examine and evaluate the interaction of the remarkable compounds (3b, 6a and 6b) against the current enzymes (CAs and AChE). Novel compounds gained interest in terms of enzyme inhibitory potencies. Therefore, the most potent enzyme inhibitors may be considered lead compounds to be modified for further research. Communicated by Ramaswamy H. Sarma
Additional file 1: of A multi-center, randomized controlled clinical trial, cost-effectiveness and qualitative research of electroacupuncture with usual care for patients with non-acute pain after back surgery: study protocol for a randomized controlled trial
Creators: name: Byung-Cheul Shin
name: Jae-Heung Cho
name: In-Hyuk Ha
name: Heo, In
name: Jun-Hwan Lee
name: Koh-Woon Kim
name: Me-Riong Kim
name: Jung, So-Young
name: Ojin Kwon
name: Nam-Kwen Kim
name: Haeng-Mi Son
name: Dong-Wuk Son
name: Shin, Kyung-Min
Publisher: name: figshare
Year: 2018
Subjects: subject: Medicine
subject: Cell Biology
subject: Neuroscience
subject: Developmental Biology
subject: Cancer
subject: Science Policy
subject: 111714 Mental Health
subject: FOS: Health sciences

description: Standards for Reporting Interventions in Clinical Trials of Acupuncture (STRICTA). (DOCX 24 kb)
The switch states of the GDP-bound HRAS affected by point mutations: a study from Gaussian accelerated molecular dynamics simulations and free energy landscapes
Creators: name: Bao, Huayin
name: Wang, Wei
name: Sun, Haibo
name: Chen, Jianzhong
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Biophysics
Biochemistry
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Computational Biology

description: Point mutations play a vital role in the conformational transformation of HRAS. In this work, Gaussian accelerated molecular dynamics (GaMD) simulations followed by constructions of free energy landscapes (FELs) were adopted to explore the effect of mutations D33K, A59T and L120A on conformation states of the GDP-bound HRAS. The results from the post-processing analyses on GaMD trajectories suggest that mutations alter the flexibility and motion modes of the switch domains from HRAS. The analyses from FELs show that mutations induce more disordered states of the switch domains and affect interactions of GDP with HRAS, implying that mutations yield a vital effect on the binding of HRAS to effectors. The GDP-residue interaction network revealed by our current work indicates that salt bridges and hydrogen bonding interactions (HBIs) play key roles in the binding of GDP to HRAS. Furthermore, instability in the interactions of magnesium ions and GDP with the switch SI leads to the extreme disorder of the switch domains. This study is expected to provide the energetic basis and molecular mechanism for further understanding the function of HRAS. Communicated by Ramaswamy H. Sarma
Evaluation of Hexavalent Chromium Phycoremediation Potential of Microalgae Species Isolated From Polluted Water Bodies in Ethiopian Around Awash & Addis Ababa Areas
Creators: name: Abate   Ayele
Publisher: name: National Academic Digital Repository of Ethiopia
Year: 2020
Subjects: Biosorbents; Chlamydomonas sp.; Hexavalent chromium; Microalgae; Phycoremediation; Response surface methodology

description: Population expansion and industrial development have deteriorated the quality of water
 reservoirs. Discharge of industrial effluents containing toxic chemicals such as heavy
 metals especially chromium (Cr) into the environment has a serious impact on the
 ecosystem. Lately, phycoremediation of heavy metals gained more attention due to its
 advantage over the conventional methods, however more investigation of indigenous
 species for ease. Therefore, the present study was aimed at the phycoremediation of Cr in
 an aqueous solution and industrial effluent. Eighteen species of Ethiopian indigenous
 microalga were identified morphologically as Pediastrum sp., Chlorella sp.,
 Chlamydomonas sp., Scenedesmus sp., Chlorogonium sp., Oscillatoria sp., Anabaena sp.,
 Microcystis sp., Microspora sp., Closterium sp., Synechocystis sp., and Navicula species.
 Among the isolates, Chlamydomonas sp., was more tolerant to chromium and selected as
 a potential biosorbent and checked its adsorption capacity using various parameters and
 optimized using Response Surface Methodology. The optimized condition was obtained
 as pH 4, 30 min of contact time with 1.5 g/L of algal concentration and maximum
 removal was obtained at 94.17 %. Fourier Transform Infrared Radiation (FTIR) analysis
 of biosorbent revealed the presence of electronegative functional groups (amino,
 carboxyl, hydroxyl and carbonyl groups), which were responsible for adsorption.
 Scanning Electron Microscope (SEM) analysis shown surface changes after Cr
 adsorption. Moreover, the biosorbent efficiency of Cr on the real tannery industry
 effluent was observed as 76.66% removal from the 37.4 ppm of total chromium, while
 the hexavalent chromium was noticed as 49.8% removal from the 2.19 ppm in the
 effluent. This Ethiopian native species of microalgae of Chlamydomonas sp., can be used
 as a novel biosorbents for phycoremediation of hexavalent chromium locally
Evaluation of high rise building in Addis Ababa based on International green building criteria's
Creators: name: Tsega Merdekiyos Messa
Publisher: name: National Academic Digital Repository of Ethiopia
Year: 2022
Subjects: Green Building ,Impact ,Criteria's, Environment ,LEED

description: Building construction is one of the development which significantly contributes to the growth of
 the country ,but also the building construction has an impact to our environment and human
 wellbeing at different stage of the construction ; by consuming different resources and increasing
 landfills, specially the high rise buildings are the largest consumers of energy and materials .The
 implementation of Green building can moderate this impacts. Therefore, the objective of this
 research is to evaluate high rise building in Addis Ababa based on International green building criteria’s.
 A data for a high rise buildings has been Constructed in Addis Ababa is collected from
 governmental organs ,a check list is prepared based on the weightage of the criteria’s measured
 according to the impact to environment and human wellbeing and the buildings are checked to
 resilient to Green building ; and to investigate the current situation of a Green building
 construction in Ethiopia ; a related proclamations and regulations are studied ; A case study
 building which is awarded LEED Gold certificate from GBCI, the only building in Ethiopia is
 observed and its Green building features are studied ;This research found that the high rise
 buildings has satisfied some of the criteria’s in a Good point which is 66 % percent for indoor
 Environmental quality of the buildings but for water efficiency ,waste water technology only 4
 % is fulfilled and for the Energy efficiency criteria related to the orientation of the buildings
 found Good but related to the fixtures installed in the buildings doesn’t satisfy the Criteria. The
 findings of this research give a direction for the future buildings to be built to incorporate the
 Green building features, which criteria’s the designer and stakeholder emphasis on and give a
 path to already constructed buildings to renovate or fit out to be Gree
Additional file 1: of Identifying individual animal factors associated with Mycobacterium avium subsp. paratuberculosis (MAP) milk ELISA positivity in dairy cattle in the Midwest region of the United States
Creators: name: Machado, Gustavo
name: Kaushi Kanankege
name: Schumann, Val
name: Wells, Scott
name: Perez, Andres
name: Alvarez, Julio
Publisher: name: figshare
Year: 2018
Subjects: subject: Medicine
subject: Immunology
subject: FOS: Clinical medicine
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: 19999 Mathematical Sciences not elsewhere classified
subject: FOS: Mathematics
subject: Science Policy
subject: Hematology
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: Computational Biology

description: Estimated ratios and coefficients with p-values of the fixed effects on factors associated with animal MAP-ELISA results from individual milk sample for young cows (26,153 animals), adult cows (18,384 animals) from four states in the north of USA. (DOCX 21Â kb)
Immunoinformatic based designing of potential immunogenic novel mRNA and peptide-based prophylactic vaccines against H5N1 and H7N9 avian influenza viruses
Creators: name: Ghafoor, Dawood
name: Zeb, Adnan
name: Ali, Syed Shujait
name: Ali, Muhammad
name: Akbar, Fazal
name: Din, Zia Ud
name: Rehman, Shoaib Ur
name: Suleman, Muhammad
name: Khan, Wajid
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Medicine
subject: Molecular Biology
subject: Biotechnology
subject: Evolutionary Biology
subject: FOS: Biological sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Infectious Diseases
subject: FOS: Health sciences
subject: Virology
subject: Computational Biology

description: Influenza viruses are the most common cause of serious respiratory illnesses worldwide and are responsible for a significant number of annual fatalities. Therefore, it is crucial to look for new immunogenic sites that might trigger an effective immune response. In the present study, bioinformatics tools were used to design mRNA and multiepitope-based vaccines against H5N1 and H7N9 subtypes of avian influenza viruses. Several Immunoinformatic tools were employed to extrapolate T and B lymphocyte epitopes of HA and NA proteins of both subtypes. The molecular docking approach was used to dock the selected HTL and CTL epitopes with the corresponding MHC molecules. Eight (8) CTL, four (4) HTL, and Six (6) linear B cell epitopes were chosen for the structural arrangement of mRNA and of peptide-based prophylactic vaccine designs. Different physicochemical characteristics of the selected epitopes fitted with suitable linkers were analyzed. High antigenic, non-toxic, and non-allergenic features of the designed vaccines were noted at a neutral physiological pH. Codon optimization tool was used to check the GC content and CAI value of constructed MEVC-Flu vaccine, which were recorded to be 50.42% and 0.97 respectively. the GC content and CAI value verify the stable expression of vaccine in pET28a + vector. In-silico immunological simulation the MEVC-Flu vaccine construct revealed a high level of immune responses. The molecular dynamics simulation and docking results confirmed the stable interaction of TLR-8 and MEVC-Flu vaccine. Based on these parameters, vaccine constructs can be regarded as an optimistic choice against H5N1 and H7N9 strains of the influenza virus. Further experimental testing of these prophylactic vaccine designs against pathogenic avian influenza strains may clarify their safety and efficacy. Communicated by Ramaswamy H. Sarma
A systematic review of reading-while-listening in foreign language learners
Creators: name: Moreau, Christine
name: Parks, Kaitlyn
name: Forss, Lydia
name: Brainin, Leah
Publisher: name: Open Science Framework
Year: 2022
Subjects: subject: Cognition and Perception
subject: Social and Behavioral Sciences
subject: Psychology
subject: FOS: Psychology
subject: Comprehension
subject: Fluency
subject: Foreign language learners
subject: Proficiency
subject: Reading-while-listening
subject: Second language learners
subject: Systematic review

description: This registration is a systematic review on reading-while-listening. This includes articles looking at reading text while listening and watching/listening to a film while reading subtitles in the L2/captions. This preregistration contains information on how the review will be conducted, including search strategy, article selection/review, and data extraction.
FAIR4ML-schema
Creators: name: Castro, Leyla Jael
name: Garijo, Daniel
name: Rebholz-Schuhmann, Dietrich
name: Solanki, Dhwani
name: Ciuciu-Kiss, Jenifer Tabita
name: Katz, Dan
name: Eklund, Lars
name: Bharathy, Gnana
name: Research Data Alliance FAIR4ML Task Force
Publisher: name: Zenodo
Year: 2024

description: An increasing amount of machine learning models are produced and shared in the Web by research scientists, ML enthusiast and ML developers. In this vocabulary we introduce a Schema.org extension for creating machine-readable representations of  Machine Learning models.
Additional file 2 of An observational study of the effects of smoking cessation earlier on the clinical characteristics and course of acute exacerbations of chronic obstructive pulmonary disease
Creators: name: Li, Xiaolong
name: Wu, Zhen
name: Xue, Mingyue
name: Du, Wei
Publisher: name: figshare
Year: 2022
Subjects: Medicine
Biotechnology
Biological Sciences not elsewhere classified
Cancer

description: Supplementary Material 2
Additional file 1: Table S1. of Molecular profiling of lung cancer specimens and liquid biopsies using MALDI-TOF mass spectrometry
Creators: name: Bonaparte, Eleonora
name: Pesenti, Chiara
name: Fontana, Laura
name: Falcone, Rossella
name: Paganini, Leda
name: Marzorati, Anna
name: Ferrero, Stefano
name: Nosotti, Mario
name: Mendogni, Paolo
name: Bareggi, Claudia
name: Sirchia, Silvia
name: Tabano, Silvia
name: Bosari, Silvano
name: Miozzo, Monica
Publisher: name: figshare
Year: 2018
Subjects: subject: Biochemistry
subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Genetics
subject: Physiology
subject: Evolutionary Biology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Ecology
subject: Sociology
subject: FOS: Sociology
subject: Immunology
subject: FOS: Clinical medicine
subject: Developmental Biology
subject: Cancer
subject: 110309 Infectious Diseases
subject: FOS: Health sciences

description: Amplification and extension primer sequences for MS panel. (DOCX 16 kb)
MeerKAT discovery of unique binary pulsars in globular cluster Terzan 5 and a search for compact pulsar binaries using volunteer distributed computing
Creators: name: Voraganti Padmanabh, Prajwal
Publisher: name: Zenodo
Year: 2024

description: Globular clusters have historically been a prime target for radio pulsar searching owing to their old stellar population and dense environment. The Terzan 5 globular cluster is one such source that houses numerous pulsars and has been extensively studied at multiple wavelengths. In this talk, I will be presenting 9 new binary pulsars discovered in Terzan 5 using MeerKAT as part of the TRAPUM survey. These include a potential double neutron star system with a total mass of ~3.2 solar masses and if confirmed, would host the fastest spinning pulsar (P $\sim$ 2.27 ms) for any double neutron star system (DNS) known. Three systems belong to a class of spider pulsars that show radio eclipses due to material from the non-degenerate companion obscuring the pulsed emission. We were also able to precisely measure the individual masses for a system by measuring the Shapiro delay due to the binary companion. Some discoveries pose open questions regarding their stellar evolution and formation. The total number of confirmed pulsars in Terzan 5 is now 49, the most for any globular cluster. Finally, I will describe Einstein@Home, a volunteer distributed computing project. Through Einstein@Home, we aim to find compact pulsar binary pulsars (30 min $<$ Pb $<$ 300 min) in MeerKAT globular cluster data using coherent template-bank methods. This setup has already demonstrated its capability by blindly redetecting several known pulsars in multiple globular clusters.
MOESM15 of Comparative physiological, metabolomic, and transcriptomic analyses reveal developmental stage-dependent effects of cluster bagging on phenolic metabolism in Cabernet Sauvignon grape berries
Creators: name: Sun, Run-Ze
name: Cheng, Guo
name: Li, Qiang
name: Zhu, Yan-Rong
name: Zhang, Xue
name: Wang, Yu
name: He, Yan-Nan
name: Li, Si-Yu
name: He, Lei
name: Chen, Wu
name: Pan, Qiu-Hong
name: Duan, Chang-Qing
name: Wang, Jun
Publisher: name: figshare
Year: 2019
Subjects: subject: Biochemistry
subject: Space Science
subject: Genetics
subject: FOS: Biological sciences
subject: Physiology
subject: Pharmacology
subject: Ecology
subject: Biological Sciences not elsewhere classified
subject: Developmental Biology
subject: Marine Biology
subject: Inorganic Chemistry
subject: FOS: Chemical sciences

description: Additional file 15: Table S9. List of the primers used in this study.
Evaluation of Efficacy of Chitosan- Neem Extract Composite Against fusarium Wilt ( Fusarium Oxysporum F.SP. CICERI on chickpea
Creators: name: Deguale  Abebe  Kewuye
Publisher: name: National Academic Digital Repository of Ethiopia
Year: 2020

description: The impetus on the quest for sustainable bioresource based fungicides can be easily perceived
 in the context of the incessant escalation of environmental and health concerns due to
 disproportionate use of conventional fungicides. In this milieu, the biopolymer, chitosan (Ch)
 and neem leaf extract (NLE) were used to fabricate an antifungal composite (Ch-NLE) to
 counteract Fusarium oxysporum f.sp. ciceri (Foc), leads to yield-loss of 50–80% in some
 farmers’ fields and sometimes even 100% loss on local varieties.Uultra violet visible
 absorption spectra of Ch, NLE and Ch-NLE composite were recorded through a wavelength
 scan between a range of 200-800 nm at medium speed using 1 nm bandwidth and 0.5 nminterval spectrophotometer, the fourier transform infrared spectra of were recorded in the
 spectral range from 4000 to 400 cm.
 -1
 Samples were mounted onto aluminum stubs and the
 scanning electron micrographs were recorded using a scanning electron microscope operating
 at 15 kilovolt. All of these techniques confirmed that the composite was successfully
 fabricated. The antifungal efficacy of Ch, NLE, and Ch-NLE were assessed by recording the
 percent inhibition of radial growth of Foc. The mycelial growth inhibion of Ch, NLE and ChNLE composite were 86.6%, 93.3% and 92.2% at 0.7%, 35% and 0.5% concentrations,
 respectively. Also the seed-germination assay showed that, no negative impact of using Ch,
 NLE and Ch-NLE composite as seed coating agents. The disease severity of the chickpea
 seedlings, corresponding to the treatments Ch, NLE, Ch-NLE composite were 15%, 25% and
 5% respectively. While the disease severity of chickpea seedlings treated with water and
 CuOCl (a conventional fungicide) were 70% and 35% respectivelty. Thus, chitosan-neem
 leaf extract composite could be a promising biobased fungicidal candidate and may be
 included as a part of integrated Fusarium wilt management program. Finaly, evaluation of the
 composite in containing the fungal spread in field conditions is recommended.
Additional file 4: Appendix 3. of Factors influencing the capacity of women to voice their concerns about maternal health services in the Muanda and Bolenge Health Zones, Democratic Republic of the Congo: a multi-method study
Creators: name: Mafuta, Eric
name: Buning, Tjard De Cock
name: Lolobi, Didier
name: Papy Mayala
name: ThĂŠrĂ¨Se Mambu
name: Kayembe, Patrick
name: Dieleman, Marjolein
Publisher: name: figshare
Year: 2018
Subjects: subject: Medicine
subject: Sociology
subject: FOS: Sociology
subject: Developmental Biology

description: Interview guides and questionnaire used in original studies translated in English. (DOCX 41 kb)
MOESM16 of Comparative physiological, metabolomic, and transcriptomic analyses reveal developmental stage-dependent effects of cluster bagging on phenolic metabolism in Cabernet Sauvignon grape berries
Creators: name: Sun, Run-Ze
name: Cheng, Guo
name: Li, Qiang
name: Zhu, Yan-Rong
name: Zhang, Xue
name: Wang, Yu
name: He, Yan-Nan
name: Li, Si-Yu
name: He, Lei
name: Chen, Wu
name: Pan, Qiu-Hong
name: Duan, Chang-Qing
name: Wang, Jun
Publisher: name: figshare
Year: 2019
Subjects: subject: Biochemistry
subject: Space Science
subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: Physiology
subject: Pharmacology
subject: Biotechnology
subject: Ecology
subject: Biological Sciences not elsewhere classified
subject: Developmental Biology

description: Additional file 16: Table S10. The promoter and cDNA sequences of VviFLS4 gene.
Additional file 1: Table S1. of The CSF neurofilament light signature in rapidly progressive neurodegenerative dementias
Creators: name: Abu-Rumeileh, Samir
name: Capellari, Sabina
name: Stanzani-Maserati, Michelangelo
name: Polischi, Barbara
name: Martinelli, Paolo
name: Caroppo, Paola
name: Ladogana, Anna
name: Parchi, Piero
Publisher: name: figshare
Year: 2018
Subjects: subject: Space Science
subject: Medicine
subject: Cell Biology
subject: Molecular Biology
subject: Neuroscience
subject: Pharmacology
subject: Biotechnology
subject: 19999 Mathematical Sciences not elsewhere classified
subject: FOS: Mathematics
subject: Cancer
subject: 111714 Mental Health
subject: FOS: Health sciences
subject: Hematology
subject: 110309 Infectious Diseases
subject: 60506 Virology
subject: FOS: Biological sciences

description: Diagnostic value of CSF biomarkers in the comparison between subjects with ND and control subjects. Table S2. Diagnostic value of CSF biomarkers in the differential diagnosis of prion disease, AD, and FTLD. Figure S1. ROC analysis of CSF biomarkers in the comparison between prion disease and AD. Figure S2. ROC analysis of CSF biomarkers in the comparison between atypical prion disease and other atypical/rapidly progressive NDs. Figure S3. ROC analysis of CSF biomarkers in the comparison between atypical prion disease and atypical/rapidly progressive AD. (DOCX 1967 kb)
Evaluation of flood mitigation alternatives for flood prone area of upper awash sub-basin (upstream of koka dam)
Creators: name: Melesse Tuji
Publisher: name: National Academic Digital Repository of Ethiopia
Year: 2020
Subjects: ArcGIS, optimal, food hazard, flood level flood inundation, HEC-RAS, TOPSIS

description: Flood is a natural process that can happen at any time in a wide variety of locations which causes
 tremendous losses in terms of property and life, particularly in the Ilu floodplain, of sub-basin. The main
 objective of this study was to study flood hazard mapping and its mitigation measures using Hydraulic model
 HEC-RAS, Hec-GeoRAS, and ArcGIS. The adequacy, homogeneity, independency of the data series and
 that the data come from the same distribution was tested at 95% significance levels for gauging station
 in the study area by different statistical software (Minitab, SPPSS, Sigma plot). Flood frequency analysis
 for 2, 5, 10, 25, 50, 100, 200, 500, 1000 and 10000-years return period was done by Gumbel"s, Log Pearson
 type III, and Log-normal probability distributions based on maximum instantaneous flow recorded at Awash
 River at 9 stations in sub-basin.
 The Goodness of Fit Test (GOF) of these selected flood frequency distributions was conducted using MAE,
 RMSE, RRMSE, and CC and log-Pearson type III is adopted best fit method with Pearson Correlation of
 0.96, 0.99 for Teji near Asgori and Awash at Bello stations respectively. Flood discharges results for
 Teji near Asgori and Awash at Bello stations have magnitude of 172.81, 181.44, 76.75, 86.12 m3/s for
 50 and 100 years return periods respectively.
 The flooded areas were high particularly for Ilu, Sebeta Hawas and Ejere woredas for 50 and 100 years
 return periods; so that this thesis mainly focuses on these flood prone areas for flood mitigation
 measures. The Evaluation was performed for four different alternatives, considering various channel
 modifications with different dimensions and levee construction. Using the hydraulic parameters such as
 flood inundation area, flood level, flow velocity and stream power on the downstream and outside of the
 river bend were used as evaluation and decision criteria for each alternatives. A multiple decision-making
 method, TOPSIS was used to find optimal flood mitigation alternative based on 50 and 100 years peak
 flood discharges flood prone areas: Bello, Teji and Sebeta of Awash River for Alter#1, Alter#2, Alter#3 and
 Alter#4; separation of each alternatives from positive ideal solution for these alternatives are 0.616, 0.5,
 0.266 and 0.335 by scoring 1st, 2nd 3rd and 4th respectively. The output of the analysis confirmed that a levee
 construction at the right side of the river bank adjacent to the residential area, which was superior to the
 other three alternatives.
Additional file 1: of The dynamic intein landscape of eukaryotes
Creators: name: Green, Cathleen
name: Novikova, Olga
name: Belfort, Marlene
Publisher: name: figshare
Year: 2018
Subjects: subject: Biochemistry
subject: Medicine
subject: Molecular Biology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences
subject: 19999 Mathematical Sciences not elsewhere classified
subject: FOS: Mathematics
subject: Developmental Biology
subject: 110309 Infectious Diseases
subject: FOS: Health sciences

description: Supplementary Tables S3-S13 and Supplementary Figures 1–6. This file contains Supplementary Tables S3–13 and Supplementary Figures 1–6 with legends. (PDF 1447 kb)
Integration of ligand and structure-based pharmacophore screening for the identification of novel natural leads against Euchromatic histone lysine methyltransferase 2 (EHMT2/G9a)
Creators: name: Jana, Abhisek
name: Naga, Rahul
name: Saha, Sougata
name: Griñán-Ferré, Christian
name: Banerjee, Deb Ranjan
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Genetics
subject: FOS: Biological sciences
subject: Pharmacology
subject: Biotechnology
subject: Environmental Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified

description: Herein, we report a blended ligand and structure-based pharmacophore screening approach to identify new natural leads against the Protein Lysine Methyltransferase 2 (EHMT2/G9a). The EHMT2/G9a has been associated with Cancer, Alzheimer’s, and aging and is considered an emerging drug target having no clinically passed inhibitor. Purposefully, we developed the ligand-based pharmacophore (Pharmacophore-L) based on the common features of known inhibitors and the structure-based pharmacophore (Pharmacophore-S) based on the interaction profile of available crystal structures. The Pharmacophore-L and Pharmacophore-S were subjected to multiple tiers of validations and utilized in combination for the screening of total 741543 compounds coming from multiple databases. Additional layers of stringency were applied in the screening process to test drug-likeness (using Lipinski’s rule, Veber’s rule, SMARTS and ADMET filtration), to rule out any toxicity (TOPKAT analysis). The interaction profiles, stabilities, and comparative analysis against the reference were carried out by flexible docking, MD simulation, and MM-GBSA analysis, which finally led to three leads as potential inhibitors of G9a. Communicated by Ramaswamy H. Sarma