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Possible therapeutic targets and promising drugs based on unsymmetrical hetaryl-substituted porph.rins to combat SARS-coV-2

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Journal of ph.rmaceutical Analysis 2021年第6期11卷 691-698页

作者： Yury A.Gubarev Natalya sh.Lebedeva Elena S.Yurina Sergey A.Syrbu Aleksey N.Kiselev Mikhail A.Lebedev G.A.Krestov Institute of Solution chemistry of the Russian Academy of Sciences 153045IvanovoRussia Ivanovo State University of chemistry and Technology 153000IvanovoRussia

coronavirus disease 2019 is a serious disease that causes acute respiratory syndrome and negatively affects the central nervous *** acute respiratory syndrome coronavirus 2(SARS-coV-2)crosses the blood-brain barrier due to the spike(S) protein on the surface of the viral ***,it is important to develop compounds that not only have an inhibitory effect but are also capable of completely deactivating the S protein *** study describes the purposeful modification of porph.rins and proposes compounds,asymmetrically hetaryl-substituted porph.rins with benzothiazole,benzoxazole,and N-methylbenzimidazole residues,to deactivate the S protein *** docking of SARS-coV-2 proteins with hetaryl-substituted porph.rins showed that the viral S protein,nucleocapsid(N) protein,and non-structural protein 13(nsp13) exhibited the highest binding ***-substituted porph.rins form strong complexes(13-14 kcal/mol) with the receptor-binding domain of the S protein,while the distance from the porph.rins to the receptor-binding motif(RBM)does not exceed 20 ?;therefore,RBM can be oxidized by ^(1)O_(2),which is generated by *** porph.rins interact with the N protein in the serine/arginine-rich region,and a number of vulnerable amino acid residues are located in the ph.tooxidation *** damage complicates the packaging of viral RNA into new ***-energy binding of hetaryl-substituted porph.rins with the N-and c-terminal domains of nsp13 was *** binding blocks the action of nsp13 as an enzyme of exoribonuclease and methyltransferase,thereby preventing RNA replication and processing.A procedure for the synthesis of hetaryl-substituted porph.rins was developed,new compounds were obtained,their structures were identified,and their ph.tocatalytic properties were studied.

关键词： Porph.rins SARS-coV-2 Molecular docking ph.toinactivation

Predicting the optical observables for nucleon scattering on even-even actinides

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chinese ph.sics c 2017年第9期41卷 123-128页

作者： D. S. Martyanov E. sh. Soukhovitskii R. capote J. M. Quesada S. chiba Joint Institute for Energy and Nuclear Research 220109 Minsk-Sosny Belarus NAPc-Nuclear Data Section International Atomic Energy Agency Vienna A-1400 Austria Departamento de Fisica Atomica Molecular y Nuclear Universidad de Seviha Ap.1065 E-4i080 Sevilla Spain Research Laboratory for Nuclear Reactors Tokyo Institute of Technology 2-12-1-N1-90okuyama Meguro-ku Tokyo 152-8550 Japan

The previously derived Lane consistent dispersive coupled-channel optical model for nucleon scattering on 232Th and 23Su nuclei is extended to describe scattering on even-even actinides with Z=90-98. A soft-rotator- model （SRM） description of the low-lying nuclear structure is used, where the SRM Hamiltonian parameters are adjusted to the observed collective levels of the target nucleus. SRM nuclear wave functions （mixed in K quantum number） have been used to calculate the coupling matrix elements of the generalized optical model. The ＂effective＂ deformations that define inter-band couplings are derived from the SRM Hamiltonian parameters. conservation of nuclear volume is enforced by introducing a dynamic monopolar term to the deformed potential, leading to additional couplings between rotational bands. The fitted static deformation parameters are in very good agreement with those derived by Wang and collaborators using the Weizs^cker-Skyrme global mass model （WS4）, allowing use of the latter to predict cross sections for nuclei without experimental data. A good description of the scarce ＂optical＇experimental database is achieved. SRM couplings and volume conservation allow a precise calculation of the compound-nucleus formation cross sections, which is significantly different from that calculated with rigid-rotor potentials coupling the ground-state rotational band. The derived parameters can be used to describe both neutron- and proton-induced reactions.

关键词： optical model soft-rotator model FRDM deformations WS4 deformations even-even actinides

Dynamics of 7Li breakup and its influence on elastic scattering: a study of 7Li + 144Sm system

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chinese ph.sics c 2024年第2期48卷 124-134页

作者： A.Morzabayev N.Amangeldi Awad A.Ibraheem D.Soldatkhan G.Yergaliuly B.Mauyey Anuar.A.Orazalievna sh.Hamada L.N.Gumilyov eurasian national university astanakazakhstan Institute of nuclear ph.sics almatykazakhstan ph.sics department king khalid universityabhasaudi arabia Faculty of science tanta universitytantaegypt

The angular distributions of 7Li+144Sm elastic scattering over the energy range of 21.6–52 MeV are reanalyzed utilizing various interaction *** analysis aims to study the consistency of the implemented potentials in representing the considered data and investigate the cluster nature of the weakly bound 7Li *** will aid in the better understanding the impacts of 7Li breakup on the elastic scattering *** coupling to the breakup channel has a substantial impact on the elastic data and reproduces a repulsive dynamical polarization potential,which drastically diminishes the real potential *** reported impact was simulated by introducing a semi-microscopic repulsive DPP and by implementing the method of continuum discretized coupled *** analysis was also extended to understand the impact of triton transfer on the elastic scattering data.

关键词： ph.nomenological and semi-microscopic potentials cluster folding dynamic polarization

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老屋变新家

Refractive Features and Diffraction Scattering Patterns Observed in the Elastic Scattering of 12c from 12c at Various Energies

2019年

作者： sh美化家庭编辑部

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Journal of Modern ph.sics 2013年第6期4卷 848-854页

作者： sh. Hamada N. Burtebayev Faculty of Science Tanta University Tanta Egypt Institute of Nuclear ph.sics Almaty Kazakhstan

We have measured the angular distributions for 12c ion beam elastically scattered from 12c target of thickness 17.4 μg/cm2 at energies 15, 18 and 21 MeV which is close to the coulomb barrier energy for 12c + 12c nuclear system. The elastic scattering of 12c beam on 12c was analysed also at different energies (139.5, 158.8, 180, 240, 288.6, 300, 360 and 420 MeV) from literature in order to obtain the global optical potential parameters, which could fairly reproduce the experimental data. The experimental results were analysed within the framework of both the optical model and the double folding potential obtained with different density-dependent NN interactions which give the corresponding values of the nuclear incompressibility K in the Hartree-Fock calculation of nuclear matter. The agreement between the experimental results and the theoretical predictions in the whole angular range is fairly good.

关键词： Scattering Patterns Refractive Features Elastic Scattering Optical Model Double Folding Density Distribution

RESEARcH ON FRAcTAL cHARAcTERISTIcS OF URBAN TRAFFIc NETWORK STRUcTURE BASED ON GIS

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chinese Geograph.cal Science 2002年第4期12卷 346-349页

作者： LI Jiang,WANG Xiao-yan,GUO Qing-sh eng(School of Resources and Environment al Sciences,Wuhan University,Wuhan 430079,P.R.china) School of Resources and Environmental Sciences Wuhan University Wuhan 430079 P. R. China

Traffic network is an importance asp ect of researching controllable parameters of an urban spatial *** on GIS,traffic network str ucture complexity can be understood by using fractal geometry in which th e length-radius dimension describes change of network density,and ramification-radius dimension describes complexity and accessibility of urban *** i s propitious to analyze urban traffic network and to understand dynamic c hange process of traffic network using expanding f ractal-dimension *** the length-radius dimension and ramifica-tion-radius dimension could be rega rd as reference factor of quantitative describing urban traffic network.

关键词： urban traffic network expanding fractal dimension characteristics GIS

Donor ductal anomaly is not a contraindication to right liver lobe donation

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Hepatobiliary & Pancreatic Diseases International 2019年第4期18卷 343-347页

作者： Kenneth sh chok James YY Fung Wing chiu Dai Sui Ling Sin Ka Wing Ma Albert cY chan Tan To cheung chung Mau Lo Department of Surgery The University of Hong Kong102 Pok Fu Lam RoadHong KongChina State Key Laboratory for Liver Research The University of Hong Kong102 Pok Fu Lam RoadHong KongChina Department of Medicine The University of Hong Kong102 Pok Fu Lam RoadHong KongChina

Background:Data of living-donor liver transplantation(LDLT)suggested that donor ductal anomaly may contribute to postoperative biliary complications in recipients and in *** retrospective study aimed to determine if the occurrence of postoperative biliary stricture in donors or recipients in rightlobe LDLT(RLDLT)is related to donor biliary anatomy ***:We analyzed our RLDLT recipients’clinical data and those of their graft *** recipients were divided into 2 groups:with and without postoperative biliary *** 2 groups were *** primary endpoints were donor biliary anatomy type and postoperative biliary complication incidence;the secondary endpoints were 1-,3-and 5-year graft and patient survival ***:Totally 127 patients were included in the study;25(19.7%)of them developed biliary anastomotic *** these 25 patients,16 had type A biliary anatomy,3 had type B,2 had type c,3 had type D,and 1 had type *** the 127 donors,96(75.6%)had type A biliary anatomy,13(10.2%)had type B,6(4.7%)had type c,10(7.9%)had type D,and 2(1.6%)had type *** stricture was seen in 2 donors,who had type A biliary *** of the recipients or donors developed bile *** association between the occurrence of postoperative biliary stricture and donor biliary anatomy type was found(P=0.527).conclusions:The incidence of biliary stricture in donors or recipients after RLDLT was not related to donor biliary anatomy *** postoperative complications were similar in whatever type of donor bile duct anatomy,donor ductal anomaly should not be considered a contraindication to donation of right liver lobe.

关键词： Living donor liver transplantation Right liver donation Biliary complications cholangiograms Ductal anomaly

ph.nomenological and Semi-microscopic Analysis for the Elastic Scattering of Protons from 12c Nuclei at Different Energies

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Journal of Modern ph.sics 2013年第5期4卷 78-82页

作者： sh. Hamada N. Amangeldi Eurasia University Astana Kazakhstan Faculty of Science Tanta University Tanta Egypt

Analysis of the elastic scattering of protons from 12c nuclei had been performed within the framework of both the optical model and single folding model at different proton energies;17, 30.3, 40, 49.48 and 61.4 MeV. We have obtained the global potential parameters which could fairly reproduce the experimental data for p+12c elastic scattering at the aforementioned energies. The radial and energy dependence of the real and imaginary parts of the potential were calculated. Good agreement between experimental data and theoretical predictions in the whole angular range was obtained using both ph.nomenological approach (Optical Model), and semi-microscopic approach (Single Folding). In single folding calculations, the real part of the potential was calculated from a more fundamental basis by the folding method in which the NN interaction VNN(r), is folded into the density of the target nuclei and supplemented with a ph.nomenological imaginary potential. The obtained normalization factor Nr is in the range of 0.75 - 0.9.

关键词： Elastic Scattering Optical Model Nuclear Structure Single Folding Model

Facile microwave-assisted fabrication of Wc-Al_2O_3 composite powder from WO_3-Al-c mixture

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Transactions of Nonferrous Metals Society of china 2017年第12期27卷 2630-2637页

作者： A. KARIMZADEH BEHNAMI M. SAKAKI M. sh. BAFGHI K. YANAGISAWA School of Metallurgy and Materials Engineering Iran University of Science and TechnologyNarmak Tehran 16846-13114 Iran Department of Materials Engineering Faculty of Engineering Malayer University Malayer 65719-95863 Iran Research Laboratory of Hydrothermal chemistry Kochi University Kochi 780-8520 Japan

A facile and cheap method for the fabrication of Wc-Al2O3composite powder was *** calculations indicate that aluminothermic reduction of WO3in WO3:xAl:(4-1.5x)c mixture is accompanied by a great deal of heat,so carbothermic reduction reaction(endothermic)becomes activated in the *** substitution of aluminum with carbon,the formation of unwanted W2c ph.se can be prevented because of less thermodynamic stability at lower *** the verification of the proposed reaction mechanism,various WO3:xAl:(4-1.5x)c mixtures(1.1≤x≤2)were heat-treated in a domestic microwave *** results showed that the type of reaction is self-propagating high temperature synthesis(shS)when1.4≤x≤*** amount of Al in WO3:xAl:(4-1.5x)c mixtures results in a higher formation of Wc.A W2c-free Wc-Al2O3composite was obtained by continuation of microwave heating in an isolated atmosph.re,after the occurrence of shS reaction in a mixture containing1.4mol of *** also showed that when x≤1.3,type of reaction becomes gradual,which in turn brings about the incompleteness reaction and residue of initial reagents.

关键词： microwave heating combustion synthesis Wc-Al2O3 composite