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Chlorogenic acid may be a potent inhibitor of dimeric SARS-Cov-2 main protease 3CLpro: an in silico study

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Traditional Medicine Research 2021年第2期6卷 135-148页

作者： Rajkumar Sanjay patil Nayeem A.Khatib vishal Shivalingappa patil Shailendra Sanjay Suryawanshi Department of Pharmacology and Toxicology KLE College of PharmacyBelagaviKLE Academy of Higher Education and ResearchJNMC CampusNehru NagarBelagavi 590010KarnatakaIndia Department of Pharmaceutical Chemistry KLE College of PharmacyBelagaviKLE Academy of Higher Education and ResearchJNMC CampusNehru NagarBelagavi 590010KarnatakaIndia

Background:Since the emergence of coronavirus disease 2019 to date,there is no available approved drug or definitive treatment for coronavirus disease 2019 viral infection,and the identification of novel hits against therapeutic targets has become a global *** purpurea is a traditional herb utilized to treat cough,fever,sore throat,respiratory tract infection,and so on as an immune *** this study,in silico molecular docking approach was used to screen phytocompounds from *** against severe acute respiratory syndrome coronavirus 2 main protease 3C-like protease(3CLpro)and severe acute respiratory syndrome coronavirus main peptidase(96%sequence similarity)to blunt the viral gene expression and viral ***:Initially,we screened phytocompounds for their druggability and ADMET ***,x-ray crystallographic structures of main proteases 3CLpro and main peptidase having Protein Data Bank ID 6LU7 and 2GTB were used as protein targets for the identification of potential drug *** performed docking using AutoDock vina by PyRx 0.8 *** Discovery Studio visualizer v2019 was used to analyze ligand-protein *** probable protein targets of the selected compound were predicted by BindingDB(P≥0.7).STRING and Kyoto Encyclopedia of Genes and Genomes pathways are utilized to identify the molecular pathways modulated by the predicted targets(FDR≤0.05),and the network interaction between compounds and protein pathways was constructed by Cytoscape ***:Among all the compounds,chlorogenic acid showed druggable characteristics and scored the lowest binding energy with main protease and main peptidase via interacting with active site 1 domain amino acid ***,chlorogenic acid interacted with Phe140 main protease 3CLpro,which is potentially involved in the *** analysis identified chlorogenic acid to modulate insulin resistance,necroptosis,interleukin-17,tumor nec

关键词： Molecular docking Echinacea purpurea Chlorogenic acid COvID-19 Main protease 3CLpro Network pharmacology

Heat transfer attributes of Al_(2)O_(3)-Fe_(3)O_(4)/H_(2)O hybrid nanofluid flow over a yawed cylinder

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Propulsion and Power Research 2022年第3期11卷 416-429页

作者： P.M.patil H.F.Shankar Department of Mathematics KLE Technological UniversityB V Bhoomaraddi CampusVidyanagarHubballi-580031India Department of Mathematics Karnatak UniversityPavate NagarDharawad-580003India

Flow over yawed and unyawed blunt bodies often occurs in various engineeringapplications. The fluid flow over a yawed cylinder explains the practical significance of subseaapplications such as transference control, separating the boundary layer above submergedblocks, and suppressing recirculating bubbles. The current study uses viscous dissipation toanalyze the mixed convective hybrid nanofluid flow around a yawed cylinder. Unlike the stan-dard nanofluid model, which only considers one type of nanoparticle, this work considers thehybridization of two types of nanoparticles: alumina (Al_(2)O_(3)) and magnetite (Fe_(3)O_(4)). A modelwas developed to investigate the heat transport behaviour of a hybrid nanofluid while account-ing for the solid volume fraction. The flow problem is modelled in terms of highly nonlinearpartial differential equations (NPDEs) subject to the appropriate boundary conditions. Thenappropriate non-similar transformations were used to non-dimensionalize the governing equa-tions. Furthermore, the non-dimensional governing equations were solved using the finite dif-ference method (FDM) and the quasilinearisation technique. The effects of water andnanoparticle concentrations on the velocity and the temperature patterns were illustrated graph-ically. The hybrid nanofluid reduces the velocity distribution in the spanwise and chordwise di-rections while increasing the surface drag coefficient. The hybrid nanofluid’s fluid temperatureand energy transport strength was higher than the base fluid and nanofluid. Also, the temper-ature of the fluid rises as the energy transfer strength diminishes due to an increase in the Eckert number, which characterizes viscous dissipation. However, when the yaw angle increases in thechordwise and spanwise directions, so does the fluid’s velocity. The new outcomes werecompared to previously published research and were in good agreement.

关键词： Yawed cylinder Mixed convection Hybrid nanofluid Eckert number Finite difference method

亚太地区教育质量保障注册制(APQR)评审研究

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上海教育评估研究 2022年第5期11卷 55-61页

作者：向芝洁张建新 jagannath patil 云南大学高等教育研究院云南昆明650091 印度全国评估与认证委员会印度卡纳塔克邦班加罗尔560002

亚太地区教育质量保障注册制(APQR)作为对教育质量保障机构的一种国际性、非政府、自律性的约束和规制活动,在评估质量保障方面起到了重要作用。根据8家教育质量保障机构对APQR评审满意度的分析,发现APQR评审符合“第四代评估理论”的... 详细信息

亚太地区教育质量保障注册制(APQR)作为对教育质量保障机构的一种国际性、非政府、自律性的约束和规制活动,在评估质量保障方面起到了重要作用。根据8家教育质量保障机构对APQR评审满意度的分析,发现APQR评审符合“第四代评估理论”的理念。从评审依据来看,APQR是建构主义的动态化评审;从评审重点来看,APQR重点审视质量保障机构开放、包容以及公信力三大方面;从评审结果来看,APQR灵活运用四个等级来进行综合判断。APQR具有可供借鉴的评审经验,但仍存在需要改进之处以更好实现可持续发展。

关键词：亚太地区教育质量保障注册制元评估教育质量保障可持续发展评估

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卵磷脂对甲烷水合物形成的影响

化工学报 2007年第11期58卷 2895-2900页

作者：陈卫东 patil S.L. Kamath v.A. Chukwu G.A. 中海油田服务股份有限公司 University of Alaska-Fairbanks FairbanksAK 99775USA Oil and Gas Division Reliance Industries LimitedNavi MumbaiIndia

建立了用于测定卵磷脂(lecithin)对钻井液中水合物形成影响的实验装置及方法,以理解化学添加剂卵磷脂对北极Cascade地区钻井过程中水合物层的稳定作用。本研究旨在理解卵磷脂对纯水中甲烷水合物形成热力学和动力学的影响。结果表明,卵... 详细信息

建立了用于测定卵磷脂(lecithin)对钻井液中水合物形成影响的实验装置及方法,以理解化学添加剂卵磷脂对北极Cascade地区钻井过程中水合物层的稳定作用。本研究旨在理解卵磷脂对纯水中甲烷水合物形成热力学和动力学的影响。结果表明,卵磷脂基本上不影响甲烷水合物生成的热力学条件,但当卵磷脂在水中的浓度超过0.003g.g-1时,它会影响甲烷水合物的生成速度和数量,是很好的水合物生成动力学促进剂。

关键词：甲烷水合物热力学动力学卵磷脂纯水促进剂

14.77 Mev neutron-induced nuclear reaction cross sections for zinc,yttrium,and molybdenum targets

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Chinese Physics C 2023年第3期47卷 107-126页

作者： T.S.Ganesapandy G.T.Bholane S.H.patil S.S.Dahiwale v.N.Bhoraskar S.D.Dhole Department of Physics Savitribai Phule PuneUniversityPune 411007India

The cross sections for neutron-induced nuclear reactions on natural zinc, yttrium, and molybdenum targets were measured at a neutron energy of 14.77 ± 0.17 Mev using the activation technique, offline gamma-ray spectrometry, and a detailed covariance analysis. The uncertainty in the statistical model calculations of cross sections for the (n, 2n), (n, p), (n, α), and (n, γ) reactions with natural zinc, yttrium, and molybdenum at neutron energies from 13 to 17 Mev was calculated using the TALYS-1.96 nuclear code. The measured cross sections of the present study were compared with the experimental cross sections reported in the EXFOR database, the cross sections were calculated with the TALYS-1.96 and EMPIRE-3.2.3 nuclear codes and the evaluated nuclear data from the TENDL-2019, JENDL-5, and ENDF/B-vIII.0 libraries.

关键词： cross section activation analysis covariance analysis TALYS EMPIRE

Effect of Critical Beam Radius on Self-focusing of cosh-Gaussian Laser Beams in Collisionless Magnetized Plasma

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Communications in Theoretical Physics 2018年第8期69卷 220-224页

作者： T.U.Urunkar S.D.patil A.T.valkunde B.D.vhanmore K.M.Gavade M.v.Takale Department of Physics Shivaji University Department of Physics Devchand College

Effect of critical beam radius on self-focusing of cosh-Gaussian laser beams in collisionless magnetized plasma under ponderomotive nonlinearity forms the main core of present work. To investigate propagation dynamics of cosh-Gaussian laser beams in collisionless magnetized plasma, well established parabolic equation approach under WKB and paraxial approximations is employed. Our study is crucially pivoted on the concept of critical curve and subsequent determination of numerical interval for decentered parameter to sustain the competition between diffraction and self-focusing during the propagation of laser beam. Additionally, in the present study an interesting feature in the self-focusing region of the critical curve has been attempted for different values of decentered parameter.

关键词： self-focusing cosh-Gaussian magnetized plasma beam radius decentered parameter

Glycerol mediated synthesis of 5-substituted lH-tetrazole under catalyst free conditions

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Chinese Chemical Letters 2012年第2期23卷 161-164页

作者： Kamalakar P.Nandre Jagdish K.Salunke Jitendra P.Nandre vijay S.patil Amul U.Borse Sidhanath v.Bhosale Department of Organic Chemistry North Maharashtra UniversityJalgaon 425001India School of Chemical Sciences North Maharashtra UniversityJalgaon 425001India

We have developed simple,cost effective and environmentally benign protocol for the synthesis of 5-substituted 1H-tetrazoles via[2,3]cycloaddition reaction from organic nitriles and sodium azide in glycerol under cata... 详细信息

关键词： 5-Substituted 1H-tetrazole [3+2]Cycloaddition Nitriles Glycerol Catalyst free

Optimization of microwave-assisted extraction for picroside I and picroside II from Picrorrhiza kurroa using Box-Behnken experimental design

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Frontiers of Chemical Science and Engineering 2014年第4期8卷 445-453页

作者： Pravin WAKTE Ajit patil Bhusari SACHIN Munnaza QUAZI Shraddha JABDE Devanand SHINDE Pharmaceutical Technology Division Department of Chemical Technology Dr. Babasaheb Ambedkar Marathwada University Aurangabad 431004 India

The response surface methodology was employed to study the optimization of microwave-assisted extraction of picroside I and picroside II from Picrorrhiza kurroa Royle rhizomes. The effects of solid to solvent ratio, and extraction temperature, time and solvent on the yields ofpicroside I and picroside II have been investigated using Box-Behnken experimental design. The experimen- tal data were fitted to second-order polynomial equations using multiple regression analysis and analyzed using the appropriate statistical method. By solving the regression equation and analyzing 3-D plots, the optimum extraction conditions were found to be： solid to solvent ratio, 10 ： 90 （w/v）; temperature, 60 ~C; and extraction time, 60 s. Under the optimal conditions, the yields of picroside I and picroside II are 41.23 and 6.12 *** feed respectively, which are in good agreement with the predicted values. The ratio of solid to solvent significantly affects the yields of picroside I and picroside II. Application of microwave- assisted extraction of picroside I and picroside II from P kurroa would dramatically reduce extraction time and solvent consumption.

关键词： microwave-assisted extraction picroside I,picroside II Picrorrhiza kurroa Box-Behnken design

Distereoselective one-pot synthesis of pyrimidopyrimidines using sulfated tin oxide as a reusable catalyst:An extension of Biginelli-type reaction

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Chinese Chemical Letters 2013年第12期24卷 1070-1074页

作者： Rupali L.Magar Prashant B.Thorat Pratima B.Thorat vinod v.Thorat Bhagawan R.patil Rajendra P.Pawar Department of Chemistry Deogiri College Department of Chemistry Dnyanopasak College Department of Chemistry Sharda Mahavidyalaya

The Biginelli-type compounds 4,5,8a-triarylhexahydropyrimido[4,5-d]pyrimidine-2,7（1H,3H）-diones were synthesized by a one-pot three-component reaction using sulfated tin oxide as a reusable catalyst. This method has the advantages of high yields, short reaction time, simple starting materials and reusability of catalyst for several times.

关键词： Biginelli-type reaction Multicomponent reactions Pyrimido[4 5-d]pyrimidine Sulfated tin oxide Reusable catalyst