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Investigation of SARS-CoV-2 main Protease Potential Inhibitory Activities of Some Natural Antiviral Compounds Via molecular Docking and Dynamics Approaches

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Phyton-International Journal of Experimental Botany 2022年第5期91卷 1089-1104页

作者： Nada m.mostafa muhammad I.Ismail Amr m.El-Araby Dina m.Bahgat ahmed m.Elissawy ahmed m.mostafa Omayma A.Eldahshan Abdel Nasser B.Singab Department of Pharmacognosy Faculty of PharmacyAin Shams UniversityCairo11566Egypt Department of Pharmaceutical Chemistry Faculty of PharmacyThe British University in EgyptCairo11837Egypt Department of Pharmaceutical Chemistry Faculty of PharmacyAin Shams UniversityCairo11566Egypt Department of Biochemistry Faculty of PharmacyAin Shams UniversityCairo11566Egypt Center for Drug Discovery and Development Research Ain Shams UniversityCairo11566Egypt

Coronaviruses caused an outbreak pandemic disease characterized by a severe acute respiratory distress syndrome leading to the infection of more than 200 million patients and the death of more than 4 million *** primary treatment is either supportive or *** products have an important role in the development of various ***,screening of natural compounds with reported antiviral activities can lead to the discovery of potential inhibitory entities against *** the current study,an in-silico molecular docking experiment was conducted on the effects of some of these natural antiviral phytoconstituents,(e.g.,procyanidin B2,theaflavin,quercetin,ellagic acid,caffeoylquinic acid derivatives,berginin,eudesm-1β,6α,11-triol and arbutin),on the crystal structure of SARS-CoV-2 main protease(PDB ID:6w63)using AutoDock-Vina *** of the docked compounds revealed good binding affinity,with procyanidin B2(–8.6 Kcal/mol)and theaflavin(–8.5 Kcal/mol)showing a better or similar binding score as the ligand(–8.5 Kcal/mol).molecular dynamics simulations were carried out at 100 ns and revealed that procyanidin B2 forms a more stable complex with SARS-CoV-2 main protease than *** B2,theaflavin,and 4,5-dicaffeoylquinic acid were evaluated for toxicity by ProTox-II webserver and were non-toxic according to the predicted LD50 values and safe on different organs and ***,these phytoconstituents showed good ADmE properties and acceptable lipophilicity,as evaluated using *** the tested compounds,procyanidin B2 showed the highest lipophilic *** is worth mentioning that these natural inhibitiors of SARS-CoV-2 main protease are components of green and black tea that can be used as a supporting supplement for COVID patients or as potential nuclei for further drug design and development campaigns.

关键词： Coronavirus natural products SARS-CoV-2 main protease molecular docking molecular dynamics tea

Supersymmetric hybrid inflation in light of CmB experiments and swampland conjectures

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Chinese Physics C 2025年第1期49卷 114-126页

作者： Waqas ahmed Shabbar Raza Center for Fundamental Physics and School of mathematics and Physics Hubei Polytechnic UniversityHuangshi 435003China Department of Physics Federal Urdu University of ArtsScience and TechnologyKarachi 75300Pakistan

In this study,we revisit supersymmetric(SUSY)hybrid inflation within the context of considering the latest Cosmic microwave Background(CmB)observations and swampland *** demonstrate that SUSY hybrid inflation remains consistent with Planck 2018 data when radiative,soft mass,and supergravity(SUGRA)corrections are applied to the scalar *** is commonly perceived that SUSY hybrid inflation with a minimal Kahler potential results in a gauge symmetry breaking scale m of O(10^(15))GeV,leading to issues with the proton decay *** our analysis,we introduce a novel parameter space that alleviates the proton decay issue by achieving m~10^(16) GeV with m_(S)^(2)m_(3/2)>*** scenario necessitates a soft SUSY breaking scale|m_(S)|■10^(6) ***,we find that the tensor-to-scalar ratio r spans from 10^(-16) to 10^(-6),indicating a very small *** small ratio allows the modified swampland criteria to hold,although satisfying the trans-Planckian censorship conjecture(TCC)remains *** address this,we also explo non-minimal Kahler *** fixing the spectral index at n_(S)=0.9665,consistent with the central value of Planck 2018 data,and setting m=2×10^(16)GeV,we present our *** show that the canonical measure of primordial gravitational waves,r,for m_(S)=1 TeV,m_(3/2)=1 TeV,and k_(S)m 10^(-5) to 0.01,rendering it detectable by Planck and upcoming experiments such as LiteBIRD,Simons Observatory,PRISm,PIXIE,CORE,CmB-S4,and ***,we outline the parametric space and provide benchmark points for the non-minimal case to ensure compatibility with both the modified swampland conjecture and TCC.

关键词： suppersymmetry hybrid inflation swampland conjectures

ATS:A Novel Time-Sharing CPU Scheduling Algorithm Based on Features Similarities

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Computers, materials & Continua 2022年第3期70卷 6271-6288页

作者： Samih m.mostafa Sahar ahmed Idris manjit Kaur Faculty of Computers and Information South Valley UniversityQena83523Egypt College of Industrial Engineering King Khalid UniversityAbhaSaudi Arabia School of Engineering and Applied Sciences Bennett UniversityGreater NoidaIndia

minimizing time cost in time-shared operating systems is considered basic and essential task,and it is the most significant goal for the researchers who interested in CPU scheduling *** time,turnaround time,and number of context switches are themost time cost criteria used to compare between CPU scheduling *** scheduling algorithms are divided into non-preemptive and ***(RR)algorithm is the most famous as it is the basis for all the algorithms used in *** this paper,the authors proposed a novel CPU scheduling algorithm based on *** proposed algorithm is called Adjustable Time Slice(ATS).It reduces the time cost by taking the advantage of the low overhead of RR *** addition,ATS favors short processes allowing them to run longer time than given to long *** specific characteristics of each process are;its CPU execution time,weight,time slice,and number of context *** clusters the processes in groups depending on these *** traditionalRRassigns fixed time slice for each *** the other hand,dynamic variants of RR assign time slice for each process differs from other *** essential difference between ATS and the other methods is that it gives a set of processes a specific time based on their similarities within the same *** authors compared between ATS with five popular scheduling algorithms on nine datasets of *** datasets used in the comparison vary in their *** evaluation was measured in term of time cost and the experiments showed that the proposed algorithm reduces the time cost.

关键词： Clustering CPU scheduling round robin average turnaround time average waiting time

Retinal capillary density among healthy Egyptian and South Asian students:an optical coherence tomography angiography study

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International Journal of Ophthalmology(English edition) 2025年第1期18卷 111-116页

作者： Abdussalam m Abdullatif Alimulhaq mohammad moamnlhaq Tamer A.macky Noha ahmed Edris Department of Ophthalmology Kasr ElAini HospitalCairo UniversityCairo 1141Egypt

AIm:To compare the macular and optic nerve perfusion and vascular architecture using optical coherence tomography angiography(OCTA)in normal eyes of Egyptian(Caucasians)and South Asian(Asians)***:Cross-sectional analytical OCTA study performed on 90 eyes of South Asian(n=45)and Egyptians(n=45)were *** participants underwent bestcorrected visual acuity test,slit lamp,and fundus *** images;macular 6×6 mm^(2) grid and optic nerve 4.5×4.5 mm^(2) grid were used to examine the parafoveal and peripapillary regions,***:The mean capillary vessel density(CVD)in macular sectors among South Asians and Egyptians participants were(50.31%±2.53%,51.2%±5.93%)and(49.71%±3.6%,51.94%±4.79%)in superficial(SCP)and deep capillary plexuses(DCP),respectively(P>0.05).mean CVD in both groups was higher in DCP compared to SCP in all sectors but was not significant(P>0.05).mean foveal CVD increases with an increase in central retinal thickness in both SCP and DCP(Pmong both *** area of the foveal avascular zone(FAZ)was 0.28±0.09 and 0.27±0.08 mm2 in South Asian and Egyptians,*** area decreases with an increase in the thickness and foveal CVD(Pmean CVD in the peripapillary area was 48.23%±5.78% in South Asian and 49.52%±2.38% in Egyptian *** mean retinal nerve fiber layer thickness was found to be higher in the nasal quadrant among South Asian females than the Egyptian females(Pmproving the normative data on the differences in South Asian and Egyptian populations.

关键词： South Asian Egyptian optical coherence tomography angiography macular perfusion peripapillary vessel flow density

Generalized uncertainty principle from the regularized self-energy

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Communications in Theoretical Physics 2025年第1期77卷 92-100页

作者： Kimet Jusufi ahmed Farag Ali Physics Department State University of TetovoIlinden Street nn1200TetovoNorth Macedonia Essex County College 303 University AveNewarkNJ 07102United States America Department of Physics Faculty of ScienceBenha UniversityBenha13518Egypt

We use the Schrödinger–Newton equation to calculate the regularized self-energy of a particle using a regular self-gravitational and electrostatic potential derived in string *** particle mass m is no longer concentrated into a point but is diluted and described by a quantum-corrected smeared energy density resulting in corrections to the energy of the particle,which is interpreted as a regularized *** extend our results and find corrections to the relativistic particles using the Klein–Gordon,Proca and Dirac *** important finding is that we extract a form of the generalized uncertainty principle(GUP)from the corrected *** form of the GUP is shown to depend on the nature of particles;namely,for bosons(spin 0 and spin 1)we obtain a quadratic form of the GUP,while for fermions(spin 1/2)we obtain a linear *** correlation we find between spin and GUP may offer insights for investigating quantum gravity.

关键词： generalized uncertainty principle T-duality regularized self-energy

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An Adjustable Variant of Round Robin Algorithm Based on Clustering Technique

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Computers, materials & Continua 2021年第3期66卷 3253-3270页

作者： Samih m.mostafa Hirofumi Amano Faculty of Computers and Information South Valley UniversityQena83523Egypt Research Institute for Information Technology Kyushu UniversityFukuoka819-0395Japan

CPU scheduling is the basic task within any time-shared operating *** of the main goals of the researchers interested in CPU scheduling is minimizing time *** between CPU scheduling algorithms is subject to some scheduling criteria(e.g.,turnaround time,waiting time and number of context switches(NCS)).Scheduling policy is divided into preemptive and *** Robin(RR)algorithm is the most common preemptive scheduling algorithm used in the time-shared operating *** this paper,the authors proposed a modified version of the RR algorithm,called dynamic time slice(DTS),to combine the advantageous of the low scheduling overhead of the RR and favor short process for the sake of minimizing time *** process has a weight proportional to the weights of all *** process’s weight determines its time slice within the current *** authors benefit from the clustering technique in grouping the processes that are similar in their attributes(e.g.,CPU service time,weight,allowed time slice(ATS),proportional burst time(PBT)and NCS).Each process in a cluster is assigned the average of the processes’time slices in this cluster.A comparative study of six popular scheduling algorithms and the proposed approach on nine groups of processes vary in their attributes was performed and the evaluation was measured in terms of waiting and turnaround times,and *** experiments showed that the proposed algorithm gives better results.

关键词： Clustering CPU scheduling round robin turnaround time waiting time

Nanosecond pulse and dual-wavelength Q-switched 1.5 μm fiber laser using mAX phase Cr_(2)TiAlC_(2) saturable absorber

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Optoelectronics Letters 2025年第1期21卷 7-12页

作者： ahmed Shakir AL-HITI Hiba HASSAN Department of Electrical Engineering Faculty of EngineeringUniversity of AnbarAnbar 31001Iraq Department of Laser and Optoelectronics Engineering University of Technology-IraqBaghdadIraq

We demonstrated a new type of mAX phase material,chromium titanium aluminum carbide(Cr_(2)TiAlC_(2)) polymer film,to generate a passively Q-switched erbium-doped fiber laser(EDFL).The film thickness was measured to be around 45 μm,which was fabricated using the embedding method with polyvinyl alcohol(PVA) polymer as *** saturable absorber(SA) film demonstrates a dual-wavelength passively Q-switched EDFL which operates at 1 531 nm and 1 560.19 nm,*** Q-switching pulse duration could be varied from 2.46 μs to 770 ns,while the repetition rate varied from 92.76 kHz to 106.6 kHz with an increasing input pumping range from 154 mW to 300 *** maximum output power and pulse energy of 15.05 mW and 141.18 nJ were obtained at the maximum input power of 300 mW,respectively.

关键词： switched pulse fiber

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Synergistic effect of nitrocellulose coating on structural and reactivity stabilization of ammonium nitrate oxidizer

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Defence Technology(防务技术) 2025年第1期43卷 35-43页

作者： Amir Abdelaziz Djalal Trache ahmed Fouzi Tarchoun Hani Boukeciat Yash Pal Sourbh Thakur Weiqiang Pang Thomas m.Klapötke Energetic materials Laboratory(EmLab) Teaching and Research Unit of Energetic ProcessesEcole Militaire PolytechniqueBP 17 Bordj El-BahriAlgiers 16046Algeria School of Aeronautical Science Hindustan Institute of Technology and ScienceChennai 603103India Department of Organic Chemistry Bioorganic Chemistry and BiotechnologySilesian University of TechnologyB.Krzywoustego 4Gliwice 44–100Poland Xi'an modern Chemistry Research Institute 168 Zhangba Rd.EastXi'an 710065China Energetic materials Research Department of ChemistryLudwig-Maximilian UniversityMunich Butenandtstrasse 5-13(D)Munich D-81377Germany

The present work aims to stabilize the room temperature allotropic transition of ammonium nitrate(AN)particles utilizing a microencapsulation technique,which involves solvent/non-solvent in which nitrocellulose(NC)has been employed as a coating *** SEm micrographs revealed distinct features of both pure AN and NC,contrasting with the irregular granular surface topography of the coated AN particles,demonstrating the adherence of NC on the AN *** analysis via infrared spectroscopy(IR)demonstrated a successful association of AN and NC,with slight shifts observed in IR bands indicating interfacial *** X-ray Diffraction(PXRD)analysis further elucidated the structural changes induced by the coating process,revealing that the NC coating altered the crystallization pattern of its pure *** analysis demonstrates distinct profiles for pure and coated AN,for which the coated sample exhibits a temperature increase and an enthalpy decrease of the room temperature allotropic transition by 6℃,and 36%,***,the presence of NC coating alters the intermolecular forces within the composite system,leading to a reduction in melting enthalpy of coated AN by~39%compared to pure *** thermal decomposition analysis shows a two-step thermolysis process for coated AN,with a significant increase in the released heat by about 78%accompanied by an increase in the activation barrier of NC and AN thermolysis,demonstrating a stabilized reactivity of the AN-NC *** findings highlight the synergistic effect of NC coating on AN particles,which contributed to a structural and reactive stabilization of both AN and NC,proving the potential application of NC-coated AN as a strategically advantageous oxidizer in composite solid propellant formulations.

关键词： Ammonium nitrate Nitrocellulose Stabilization Coating Thermolysis kinetics

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Evidence for active generation and seepage of sub-salt natural gas/condensate blend in the east offshore Nile Delta, Egypt: Integrated geochemical, petrophysical and seismic attribute approaches

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Petroleum Science 2025年第1期22卷 130-150页

作者： mahmoud Leila ahmed A.Radwan Amir Ismail Emad A.Eysa Geology Department Faculty of Science Mansoura University School of mining and Geosciences Nazarbayev University Department of Geology Faculty of Science Al-Azhar UniversityAssiut Branch Department of Geology Faculty of Science Helwan University Department of Physical and Environmental Sciences Texas A&M University—Corpus Christi Geology Department Faculty of Science Zagazig University

Offshore Nile Delta in Egypt represents an enormous hydrocarbon province with recent projected gas and condensate discoveries of more than 50 trillion cubic feet “TCF”. most of these occur in the post-salt hydrocarbon plays where biogenic gases are dominant. This study integrates organic geochemistry,seismic geomorphology and petrophysics in order to decipher the origin, and accumulation conditions of the wet gas/condensate blend in the Upper miocene sub-salt Wakar Formation sandstones in Port Fouad marine “PFm” Field, offshore Nile Delta. Hydrocarbon pay zones are scattered thin（m） sandstones deposited in as turbiditic channel/levee complex facies. Spatial distribution of vertical gas chimneys（～2 km wide） rooting-down to the messinian Rosetta salt is associated with the lateral pinching-out of the turbiditic sandstones. Organically-rich（total organic carbon “TOC” > 1 w.t.%, hydrogen index“HI” > 200 mg HC/g TOC） and mature(Tmax> 430°C, vitrinite reflectance “VR” > 0.6 %R_o), source rocks are restricted to Upper miocene Wakar and Oligo-miocene Tineh formations. The latter contains more mature organofacies（up to 1.2 %R_o） and type II/III kerogen, thereby demonstrating a good capability to generate wet gases. The studied gas is wet and has thermogenic origin with signs of secondary microbial alteration, whereas the condensate contains a mixture of marine and terrestrial input. molecular biomarkers of the condensate, isotopic and molecular composition of the gas reveals a generation of condensate prior to gas expulsion from the source. The Wakar sandstones have a heterogeneous pore system where three reservoir rock types（RRTI, RRTII and RRTIII）. RRTI rocks present the bulk composition of the Wakar pay zones. Spatial distribution of RRTI facies likely control the accumulation of the sub-salt hydrocarbons. Our results provide a new evidence on an active petroleum system in the sub-salt Paleogene successions in the offshore Nile Delta where concomitant generation of ga

关键词： Petrophysical evaluation Source rock Hydrocarbon geochemistry Biomarkers Gas chimneys Rock-typing