Outbreaks of monkeypox(mpox)in over 100 non-endemic countries in 2022 represented a serious global health *** a neglected disease,mpox has become a global public health issue.A42R profilinlike protein frommpox(PDB ID...
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Outbreaks of monkeypox(mpox)in over 100 non-endemic countries in 2022 represented a serious global health *** a neglected disease,mpox has become a global public health issue.A42R profilinlike protein from mpox(PDB ID:4QWO)represents a potential new lead for drug development and may interact with various synthetic and natural *** this report,the interaction of A42R profilinlike protein with six phytochemicals found in the medicinal plant Ficus religiosa(abundant in India)was *** on the predicted and compared protein–ligand binding energies,biological properties,IC_(50) values and toxicity,two compounds,kaempferol(C-1)and piperine(C-4),were *** characteristics and quantitative structure–activity relationship(QSAR)of these two compounds were determined,and molecular dynamics(mD)simulations were *** silico examination of the kaempferol(C-1)and piperine(C-4)interactions with A42R profilin-like protein gave best-pose ligandbinding energies of–6.98 and–5.57 kcal/mol,*** predicted IC_(50) of C-1 was 7.63 lm and 82 lm for *** data indicated that kaempferol and piperine are non-mutagenic,and the QSAR data revealed that piperlongumine(5.92)and piperine(5.25)had higher log P values than the other compounds *** simulations of A42R profilin-like protein in complex with C-1 and C-4 were performed to examine the stability of the ligand–protein ***/C and C-4 showed the highest affinity and activities,they may be suitable lead candidates for developing mpox therapeutic *** study should facilitate discovering and synthesizing innovative therapeutics to address other infectious diseases.
In the present study a phenomenological constitutive model is developed to describe the flow behaviour of 20mnmoNi55 low carbon reactor pressure vessel (RPV) steel at sub-zero temperature under different strain rates....
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In the present study a phenomenological constitutive model is developed to describe the flow behaviour of 20mnmoNi55 low carbon reactor pressure vessel (RPV) steel at sub-zero temperature under different strain rates. A set of uniaxial tensile tests is done with the variation of strain rates and temperature ranging from 10^-4s^-1 to 10^-1s^-1 and -80℃ to 140℃ respectively. From the experimental data, family of flow curves at different temperatures and strain rates are generated and fitted exponentially. The strain rate and temperature dependence of the coefficients of the exponential flow curves are extracted from these curves and characterised through a general phenomenological constitutive coupled equation. The coefficients of this coupled equation are optimised using genetic algorithm. Finite element simulation of tensile tests at different strain rates and temperatures are done using this coupled equation in material model of Abaqus FEA software and validated with experimental results. The novelties of proposed model are:(a) it can predict precisely the flow behaviour of tensile tests (b) it is a simple form of equation where fitting parameters are both function of strain rate ratio and temperature ratio,(c) it has ability to characterize flow behaviour with decreasing subzero temperatures and increasing strain rates.
Over the last couple of decades,community question-answering sites(CQAs)have been a topic of much academic *** have often leveraged traditional machine learning(mL)and deep learning(DL)to explore the ever-growing volu...
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Over the last couple of decades,community question-answering sites(CQAs)have been a topic of much academic *** have often leveraged traditional machine learning(mL)and deep learning(DL)to explore the ever-growing volume of content that CQAs *** clarify the current state of the CQA literature that has used mL and DL,this paper reports a systematic literature *** goal is to summarise and synthesise the major themes of CQA research related to(i)questions,(ii)answers and(iii)*** final review included 133 *** research themes include question quality,answer quality,and expert *** terms of dataset,some of the most widely studied platforms include Yahoo!Answers,Stack Exchange and Stack *** scope of most articles was confined to just one platform with few cross-platform *** with mL outnumber those with ***,the use of DL in CQA research is on an upward trajectory.A number of research directions are proposed.
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