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In silico identification of antiviral compounds for the treatment of chikungunya virus infection:qsar modelling and md simulation analysis

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medicine in Novel Technology and Devices 2024年第2期22卷 102-114页

作者： Hayder m Abdulhamza muthanna s.Farhan sara.s Hassan Hany Aqeel Al-Hussainy Amjad Ibrahim Oriabi Department of Pharmacy Kut University CollegeAlkutWasit52001Iraq Department of Pharmaceutical Chemistry College of PharmacyUniversity of BaghdadBaghdadIraq Al-manara College for medical sciences Department of PharmacyIraq Department of Pharmacy Hilla University CollegeBabylonIraq Dr Hany Akeel Institute Iraqi Medical Research CenterBaghdad10001Iraq

Chikungunya virus(CHIKV),transmitted by arthropods,has gained global recognition for its impact on public *** has expanded globally,including Africa,Asia,and the Indian subcontinent,and has a helicase protein in its genome that is crucial for its ***,the study targeted the helicase protein of CHIKV with 745 antiviral compounds using an mL-based QsAR model and molecular *** binders(5279172,78161839,6474310,and 5330286)were selected for mD simulation based on the control(silvestrol).All compounds had the highest binding scores,with 78161839 showing the most consistent RmsD and the least conformational variation,indicating high *** also showed the lowest binding free energy(ΔG¼31.31 kcal/mol),indicating energetically favourable *** and FEL also depicted the stable complex confirmation of the protein and 78161839 complex during the 100 ns ***,this study aimed to identify helicase function antiviral binders that could be experimentally tested for treating CHIKV.

关键词： Chikungunya virus machine learning based QsAR molecular dynamic solution Helicase

Physical properties and maximum allowable mass-radius relation of complexity-free compact stellar objects within modified f(R,T)gravity formalism

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Chinese Physics C 2024年第7期48卷 273-288页

作者： m.K.Jasim s.K.maurya Abdelghani Errehymy Ali Khalid Jassim Kottakkaran sooppy Nisar Abdel-Haleem Abdel-Aty Department of mathematical and Physical sciences College of Arts and SciencesUniversity of NizwaNizwa 616Sultanate of Oman Astrophysics Research Centre School of MathematicsStatistics and Computer ScienceUniversity of KwaZulu-NatalPrivate Bag X54001Durban 4000South Africa Electrical Engineering Department College of EngineeringMustansiriyah UniversityBaghdadIraq Department of mathematics College of Science and Humanities in AlkharjPrince Sattam bin Abdulaziz UniversityAl KharjSaudi Arabia Department of Physics College of SciencesUniversity of BishaP.O.Box 344Bisha 61922Saudi Arabia

This paper investigates the physical properties and predicted radii of compact stars generated by the Tolman-IV complexity-free model within the background of modified gravity theory,particularly the f(R,T)-gravity theory,under complexity formalism for a spherically symmetric spacetime proposed by ***[Phys Rev D 97:044010,2018].By solving the resulting set of differential equations,we obtain the explicit forms of the energy-momentum(Em)tensor components,including the density,radial pressure,and tangential *** influence of the parameterχon various physical properties of the star is thoroughly *** model undergoes a series of rigorous tests to determine its physical *** findings indicate that the model exhibits regularity,stability,and a surface with vanishing *** boundary of this surface is determined by carefully selecting the parameter *** complexity method employed in f(R,T)gravity offers an interesting approach for developing astrophysical models that are consistent with observable events as demonstrated by recent *** this regard,we use observational data from the GW190814 event,detected by the LIGO and Virgo observatories,to investigate the validity of the Tolman-IV model in f(R,T)*** analysis includes comparing the model's predictions with the observed characteristics of the compact object involved in the *** addition,data from two-millisecond pulsars,PsR J1614-2230 and PsR J0952-0607,are incorporated to further constrain the theoretical ***,we present a diagram depicting the relationship between the total mass and radius of the compact object candidates for different values ofχ.

关键词： complexity modified gravity compact stars

Co-doped Ni_(3)s_(2) nanosheet array: A high-efficiency electrocatalyst for alkaline seawater oxidation

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Nano Research 2024年第3期17卷 1050-1055页

作者： meng Yue Xun He shengjun sun Yuntong sun mohamed s.Hamdy mhamed Benaissa Alsamani A.m.salih Jun Liu Xuping sun College of Chemistry Chemical Engineering and Materials ScienceShandong Normal UniversityJinan 250014China Institute of Fundamental and Frontier sciences University of Electronic Science and Technology of ChinaChengdu 610054China Department of Chemistry College of ScienceKing Khalid UniversityP.O.Box 9004Abha 61413Saudi Arabia Department of Chemical Engineering College of EngineeringUniversity of Ha’ilP.O.Box 2440Ha’il 81441Saudi Arabia Department of Otolaryngology-Head&Neck surgery West China HospitalSichuan UniversityChengdu 610041China

Developing efficient and durable oxygen evolution reaction(OER)catalysts holds great promise for green hydrogen production via seawater electrolysis,but remains a ***,we report a Co-doped Ni_(3)s_(2) nanosheet array on Ni foam(Co-Ni_(3)s_(2)/NF)as a high-efficiency OER electrocatalyst for *** alkaline conditions,Co-Ni_(3)s_(2)/NF requires an overpotential of only 368 mV to drive 100 mA·cm^(–2),superior to Ni_(3)s_(2)/NF(385 mV).Besides,it exhibits at least 50-h continuous electrolysis.

关键词： Co doping Ni_(3)s_(2)nanosheet array oxygen evolution reaction seawater electrolysis electrocatalyst

Enabling Technologies for Autonomous Robotic systems in manufacturing

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Transactions of Nanjing University of Aeronautics and Astronautics 2024年第4期41卷 403-431页

作者： ERDŐs Gábor ABAI Kristóf BEREGI Richárd CsEmPEsZ János CsERTEG Tamás GODÓGábor HAJÓs mátyás HÁY Borbála HORVÁTH Dániel HORVÁTH Gergely JUNIKIÁdám KEmÉNY Zsolt KOVÁCs András NACsA János PANITI Imre PEDONE Gianfranco TAKÁCs Emma TIPARY Bence ZAHORÁN László VÁNCZA József Institute for Computer science and Control Hungarian Research Network(HUN-REN SZTAKI)BudapestHungary Department of manufacturing science and Technology Budapest University of Technology and Economics(BME)BudapestHungary EPIC InnoLabs Nonprofit Ltd. BudapestHungary Eötvös Loránd University(ELTE) BudapestHungary

Research of autonomous manufacturing systems is motivated both by the new technical possibilities of cyber-physical systems and by the practical needs of the *** operation in semi-structured industrial environments can now be supported by advanced sensor technologies,digital twins,artificial intelligence and novel communication *** enable real-time monitoring of production processes,situation recognition and prediction,automated and adaptive(re)planning,teamwork and performance improvement by *** paper summarizes the main requirements towards autonomous industrial robotics and suggests a generic workflow for realizing such *** case studies will be presented from recent practice at HUN-REN sZTAKI in a broad range of domains such as assembly,welding,grinding,picking and placing,and *** various solutions have in common that they use a generic digital twin concept as their *** making general recommendations for realizing autonomous robotic solutions in the industry,open issues for future research will be discussed.

关键词： industrial robotics autonomy digital twin enabling technology

Genetic Variability and Phenotypic Correlations study among Grain Quality Traits and mineral Elements Concentrations in Colored and Non-Colored Rice (Oryza sativa L.)

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Phyton-International Journal of Experimental Botany 2024年第7期93卷 1733-1748页

作者： Adel A.Rezk mohamed m.El-malky Heba I.mohamed Hossam s.El-Beltagi Agricultural Biotechnology Department College of Agricultural and Food ScienceKing Faisal UniversityAl-Ahsa31982Saudi Arabia Plant Pathology Research Institute Agriculture Research CenterGiza12619Egypt Rice Research and Training Center Field Crop Research InstituteAgriculture Research Center33717Egypt Biological and Geological sciences Department Faculty of EducationAin Shams UniversityCairo11511Egypt Biochemistry Department Faculty of AgricultureCairo UniversityGiza12613Egypt

Twenty-four rice genotypes were examined to assess genetic variability,heritability,and correlations for seven-grain quality traits,eight nutritional elements,and *** revealed signiﬁcant differences for the quality traits *** every trait under study,the phenotypic coefﬁcient of variation was higher than the correspon-dence genotypic coefﬁcient of *** in a broad sense varied from 29.75%for grain length to 98.31%for the elongation *** percentage recovery had a highly signiﬁcant positive correlation with milling and head rice ***,milling percentage had a highly positive correlation with head rice *** amylose percentage,all the genotypes belonged to low amylose except the Hassawi-1 variety,which had intermediate amylose *** nutrition contents of magnesium(mg),sodium(Na),potas-sium(K),calcium(Ca),copper(Cu),manganese(mn),zinc(Zn),iron(Fe),or protein percentage gave different variations for 24 rice genotypes under all the nutritional *** the 24 genotypes,ten rice genotypes–HighNutrient-1,HighNutrient-2,HighNutrient-9,HighNutrient-8,HighNutrient-3,Hassawi-2,HighNutrient-7,HighNutrient-6,Hassawi-1,and HighNutrient-4–had the highest heist value for all nutritional and protein con-tents,and could be used as a donor to improving new *** was a positive and signiﬁcant correlation between magnesium mg,K,Zn and ***,K had a positive correlation with zinc Zn,Fe,and protein *** analysis was divided into two groups:theﬁrst group included all genotypes rich in nutri-ents,while the remaining genotypes with low nutritional content were included in the second group.

关键词： Amylose cluster analysis genotypes grain quality mineral nutrition rice

In vivo and in vitro study of resorbable magnesium wires for medical implants:mg purity,surface quality,Zn alloying and polymer coating

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Journal of magnesium and Alloys 2024年第6期12卷 2472-2488页

作者： K.Tesar J.Luňácková m.Jex m.Žaloudková R.Vrbová m.Bartoš P.Klein L.Vištejnová J.Dušková E.Filová Z.sucharda m.steinerová s.Habr K.Balík A.singh Department of materials Faculty of Nuclear Sciences and Physical EngineeringCzech Technical University in PragueTrojanova 13Prague 12000Czech Republic Institute of Physics Czech Academy of SciencesNa Slovance 2Prague 18221Czech Republic Institute of Dental medicine First Faculty of MedicineCharles University and General University Hospital in PragueKaterinská32Prague 12801Czech Republic Department of Physics Faculty of Nuclear Sciences and Physical EngineeringCzech Technical University in PragueBrehová7Prague 11519Czech Republic Department of Composites and Carbon materials Institute of Rock Structure and MechanicsCzech Academy of SciencesV Holešovickách 41Prague 18209Czech Republic Institute of Anatomy First Faculty of MedicineCharles UniversityU Nemocnice 3Prague 12800Czech Republic Biomedical Center Faculty of Medicine in PilsenCharles UniversityAlej Svobody 76Pilsen 32300Czech Republic Department of Pathological Physiology Faculty of Medicine in PilsenCharles UniversityAlej Svobody 7632300 PilsenCzech Republic Department of Histology and Embryology Faculty of Medicine in PilsenCharles UniversityAlej Svobody 7632300 PilsenCzech Republic Institute of Pathology First Faculty of MedicineCharles University and General University Hospital in PragueStudnickova 2Prague 12800Czech Republic Department of Biomaterials and Tissue Engineering Institute of PhysiologyCzech Academy of SciencesVidenska 1083Prague 14200Czech Republic Research Center for structural materials National Institute for Materials Science1-2-1 SengenTsukuba 305-0047Japan

magnesium is an excellent material in terms of biocompatibility and its corrosion products can serve as an active source for new bone ***,localized corrosion and H_(2)generation limit the potential of mg-based *** low-alloyed mg-Zn wires can strongly reduce problems with large H_(2)bubbles and improve the mechanical properties considerably while maintaining excellent long-term *** pickling and a polymer coating can be effectively used to lower the rate of in vivo *** this work,microstructural,mechanical,and in vitro characterization of 250μm and 300μm extruded wires made from ultra-pure mg,commercially pure mg,mg-0.15Zn,mg-0.4Zn and mg-1Zn was ***,mg-0.4Zn wires together with a variant coated with a copolymer of L-lactide andε-caprolactone were tested in vivo on artificially damaged Wistar rat *** on the observed mg-induced osteogenesis,polymer-coated mg wires with a small addition of Zn are a perspective material for bone-support applications,such as cerclage and fixation wires.

关键词： magnesium Resorbable mg wire mg-Zn implant degradation Biocompatibility study Zn grain boundary segregation

There is more to the knee joint than just the quadriceps:A systematic review with meta-analysis and evidence gap map of hamstring strength,flexibility,and morphology in individuals with gradual-onset knee disorders

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Journal of sport and Health science 2024年第4期13卷 521-536页

作者： Helder s.Lopes marina C.Waiteman Liliam B.Priore Neal R.Glaviano David m.Bazett-Jones Ronaldo V.Briani Fabio m.Azevedo school of science and Technology Physical Therapy DepartmentSao Paulo State University(UNESP)Presidente Prudente 19060-900Brazil Department of Kinesiology College of AgricultureHealth and Natural ResourcesUniversity of ConnecticutStorrsCT 06269USA school of Exercise and Rehabilitation sciences College of Health and Human ServicesUniversity of ToledoToledoOH 43606USA

Background:Impairments in hamstring strength,flexibility,and morphology have been associated with altered knee biomechanics,pain,and *** the presence of these impairments in individuals with gradual-onset knee disorders is important and may indicate targets for assessment and *** systematic review aimed to synthesize the literature to determine the presence of impairments in hamstring strength,flexibility,and morphology in individuals with gradual-onset knee ***:Five databases(mEDLINE,Embase,CINAHL,sPORTDiscus,and Web of science)were searched from inception to september *** studies comparing hamstring outcomes(e.g.,strength,flexibility,and/or morphology)between individuals with gradual-onset knee disorders and their unaffected limbs or pain-free controls were ***-analyses for each knee disorder were ***-level certainty was assessed using the Grading of Recommendations Assessment,Development,and Evaluation,and evidence gap maps were ***:seventy-nine studies across 4 different gradual-onset knee disorders(i.e.,knee osteoarthritis(OA),patellofemoral pain(PFP),chondromalacia patellae,and patellar tendinopathy)were *** with knee OA presented with reduced hamstring strength compared to pain-free controls during isometric(standard mean difference(smD)=-0.76,95%confidence interval(95%CI):-1.32 to-0.21)and concentric contractions(smD=-0.97,95%CI:-1.49 to-0.45).Individuals with PFP presented with reduced hamstring strength compared to painfree controls during isometric(smD=-0.48,95%CI:-0.82 to-0.14),concentric(smD=-1.07,95%CI:-2.08 to-0.06),and eccentric contractions(smD=-0.59,95%CI:-0.97 to-0.21).No differences were observed in individuals with patellar *** with PFP presented with reduced hamstring flexibility when compared to pain-free controls(smD=-0.76,95%CI:-1.15 to-0.36).Evidence gap maps identified insufficient evidence for chondromalacia patel

关键词： Chondromalacia patellae Knee flexors Knee osteoarthritis Patellar tendinopathy Patellofemoral pain

Influence of Formulation and Hot-Pressing Conditions on the Performance of Bio-Based molasses Adhesive for Plywood

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Journal of Renewable materials 2024年第8期12卷 1383-1397页

作者： sutiawan J. syahfitri A. Kusumah s.s. Hermawan D. sari R.K. Hakim L. mardawati E. Lubis m.A.R. Research Center for Biomass and Bioproducts National Research and Innovation Agency Cibinong 16911 Indonesia Forest Product Department Faculty of Forestry and Environment IPB University Bogor 16680 Indonesia Department of Forest Products Faculty of Forestry Universitas Sumatera Utara Medan 20155 Indonesia Research Collaboration Center for Biomass and Biorefinery BRIN and Universitas Padjadjaran Bandung 40600 Indonesia Department of Agro-Industrial Technology Universitas Padjadjaran Bandung 40600 Indonesia

molasses can serve as a natural adhesive for plywood and particleboard. However, several disadvantages remain, including lower dimensional stability and low bonding strength compared to other adhesives. Therefore, modifications are needed to use molasses as an adhesive for plywood. This research aims to improve bio-based molasses (mO) adhesive for plywood using citric acid (CA) adhesive. In addition, this research aims to analyze the effect of adding citric acid and to investigate the optimum hot-pressing temperature to produce the best quality plywood. In the first stage, the molasses and citric acid were combined in a ratio of 100:0, 75:25, 50:50, 25:75, 0:100 w/w%. Then, the second stage focuses on analyzing the influences of pressing temperature based on an optimum first stage. The research demonstrated that the addition of CA altered the gelation time, solid content, visc-osity, and pH of the molasses adhesives. In addition, the thermal properties of molasses adhesives were changed after mixing with citric acid. These phenomena indicate changes in characteristics, such as the curing of adhesive. Overall, the characteristics of plywood showed a steady improvement as the CA ratio increased but revealed a significant decline for the 25:75 mO-CA ratio. By raising the pressing temperature from 180°C to 200°C, the quality of plywood was effectively improved. The plywood that was bonded using adhesives with a 50:50 mO-CA ratio exhibited superior mechanical properties and improved dimensional stability compared to the plywood bonded solely with mO. Furthermore, the optimal mechanical and physical properties resulted in plywood bonded with a 50:50 mO-CA ratio when subjected to a pressing temperature of 200°C. The Thermal and FTIR measurements revealed that CA established ester bonds with both the mO and wood veneers. In conclusion, the mechanical characteristics of plywood were improved, while maintaining its excellent dimensional stability. © 2024 The Authors.

关键词： Citric acid composite molasses plywood pressing temperature

Nonlinear study on the mechanical Performance of Built-Up Cold-Formed steel Concrete-Filled Columns under Compression

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Computer modeling in Engineering & sciences 2024年第6期139卷 3435-3465页

作者： Oulfa Harrat Yazid Hadidane s.m.Anas Nadhim Hamah sor Ahmed Farouk Deifalla Paul O.Awoyera Nadia Gouider Civil Engineering Laboratory Faculty of TechnologyDepartment of Civil EngineeringBadji Mokhtar-Annaba UniversityP.O.Box 12Annaba23000Algeria Department of Civil Engineering Faculty of Engineering and TechnologyJamia Millia Islamia(A Central University)New Delhi110025India Civil Engineering Department University of GarmianKalar46021Iraq Department of Civil Engineering Harran UniversitySanliurfa63510Turkey structural Engineering and Construction management Department Future University in EgyptNew Cairo11835Egypt Department of Civil Engineering Covenant UniversityOta112233Nigeria

Given their numerous functional and architectural benefits,such as improved bearing capacity and increased resistance to elastic instability modes,cold-formed steel(CFs)built-up sections have become increasingly developed and used in recent years,particularly in the construction *** paper presents an analytical and numerical study of assembled CFs two single channel-shaped columns with different slenderness and configurations(backto-back,face-to-face,and box).These columns were joined by double-row rivets for the back-to-back and box configurations,whereas they were welded together for the face-to-face *** built-up columns were filled with ordinary concrete of good *** element models were applied,using ABAQUs software,to assess mechanical performance and study the influence of assembly techniques on the behavior of cold-formed columns under axial *** approaches based on Eurocode 3 and Eurocode 4 recommendations for un-filled and concrete-filled columns respectively were followed for the numerical analysis,and concrete confinement effects were also considered per American Concrete Institute(ACI)standards for face-to-face and box *** obtained results indicated a good correlation between the numerical results and the proposed analytical methodology which did not exceed 8%.The failure modes showed that the columns failed due to instabilities such as local and global buckling.

关键词： Cold-formed steel built-up sections slenderness rivets welded axial compression analytical approaches confinement buckling