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In Silico Screening of.n.tural Products as Potential Inhibitors of SARS-CoV-2 Using Molecular Docking Simulation

Chinese Journal of Integrative Medicine 2022年第3期28卷 249-256页

作者： Rajib Hossain Chandan Sarkar Shardar Mohammad Hafiz Hassan Rasel Ahmed Khan Mohammad Arman Pranta Ray Muhammad Torequl Islam Sevgi Durna Dastan Javad Sharifi-Rad Zainab M. Almarhoon Miquel Martorell William n. Setzer Daniela Calina Department of Pharmacy Life Science FacultyBangabandhu Sheikh Mujibur Rahman Science and Technology UniversityGopalganj(8100)Bangladesh Harmacy Discipline Life Science SchoolKhulna UniversityKhulna-9280Bangladesh Departme nt of Pharmacy In ternational Islamic UniversityChittagongBangladesh Department of Biomedical Engin eeri ng Huazho ng Un iversity of Science and Tech no logyWuhan(430074)China Department of Biology Faculty of ScienceSivas Cumhuriyet UniversitySivas(58140)Turkey Beekeeping Development Application and Research Center Sivas Cumhuriyet UniversitySivas(58140)Turkey School of Medicine University of AzuayCuencaEcuador Department of Chemistry College of ScienceKing Saud UniversityRiyadh(11451)Saudi Arabia Department of.n.trition and Dietetics Faculty of Pharmacyand Centre for Healthy LivingUniversity of ConcepcionConcepcion(4070386)Chile Department of Chemistry University of Alabama in HuntsvilleHuntsvilleAL(35899)USA Aromatic Plant Research Center 230 N 1200 ESuite 100LehiUT(84043)USA Department of Clinical Pharmacy University of Medicine and Pharmacy of CraiovaCraiova(200349)Romania

Objective:To explore potential natural products against severe acute respiratory syndrome coronavirus(SARS-CoV-2)via the study of structural and non-structural proteins of human ***:In this study,we performed an in-silico survey of 25 potential natural compounds acting against *** docking studies were carried out using compounds against 3-chymotrypsin-like protease(3 CL^(PHO)),papain-like protease(PL^(PRO)),RnA-dependent RnA polymerase(RdRp),non-structural protein(nsp),human angiotensin converting enzyme 2 receptor(hACE2 R),sapike glycoprotein(S protein),abelson murine leukemia viral oncogene homolog 1(ABL1),calcineurin-nuclear factor of activated T-cells(nfAT)and transmembrane protease serine ***:Among the screened compounds,amentoflavone showed the best binding aff.n.ty with the 3 CL^(PRO),RdRp,nsp13,nsp15,hACE2 R,ABL1 and calcineurin-nfAT;berbamine with hACE2 R and ABL1;cepharanthine with nsp10,nsp14,nsp16,S protein and ABL1;glucogallin with nsp15;and papyriflavonol A with PL^(PRO)*** good interacting compounds were juglanin,betulinic acid,betulonic acid,broussooflavan A,tomentin A,B and E,7-methoxycryptopleurine,aloe emodin,quercetin,tanshinone I,tylophorine and furruginol,which also showed excellent binding aff.n.ty towards a number of target *** of these compounds showed better binding aff.n.ties towards the target proteins than the standard drugs used in this ***:natural products or their derivatives may be one of the potential targets to fight against SARS-CoV-2.

关键词： SARS-CoV-2 natural products-derived anti-SARS-CoV-2 candidates structural proteins nonstructural proteins molecular docking

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Hand-feel soil texture observations to evaluate the accuracy of digital soil maps for local prediction of soil particle size distribution:A case study in Central france

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Pedosphere 2023年第5期33卷 731-743页

作者： Anne C.RICHER-de-fORGES Dominique ARROUAYS Laura POGGIO Songchao CHEn Marine LACOSTE Budiman MInASnY Zamir LIBOHOVA Pierre ROUDIER Vera LMULDER HervénÉDÉLEC Guillaume MARTELET Blandine LEMERCIER Philippe LAGACHERIE Hocine BOUREnnAnE InRAE(Institut national de recherche pour l'agriculture l'alimentation et l'environnement)Info&Sols UnitOrléans 45075France ISRIC(International Soil Reference and Information Centre)Wageningen P.O.Box 353Wageningen 6700The Netherlands Zhejiang University-Hangzhou Global Scientific and Technological Innovation Center Hangzhou 311200China The University of Sydney Sydney Institute of Agriculture.Eveleigh NSW 2015Australia The University of Sydney School of Life and Environmental SciencesEveleigh NSW 2015Australia USDA-ARS(United States Department of Agriculture-Agricultural Research Service) Dale Bumpers Small Farms Research Center6883 S.State Hwy.23Booneville AR 72927USA Landcare Research-Manaaki Whenua Palmerston North 4442New Zealand Soil Geography and Landscape Group Wageningen UniversityP.O.Box 47Wageningen 6700The Netherlands Chambre d'Agriculture du Loiret Orléans F-45000France Bureau de Recherches Géologiques et Minières BP 36009Orléans cedex 2Orléans 45060France UMR SAS(UnitéMixte de Recherche"Sol Agro et hydrosystème Spatialisation")Institut Agro INRAERennes F-35000France UMR LISAH(UnitéMixte de Recherche"Laboratoire d'Etude des Interactions entre Sol-Agrosystème-Hydrosystème") INRAEInstitut AgroIRD(Institut de Recherche pour le Développement)Montpellier F-34000France

Digital maps of soil properties are now widely ***-users now can access several digital soil mapping(DSM)products of soil properties,produced using different models,calibration/training data,and covariates at various spatial scales from global to ***,there is an urgent need to provide easy-to-understand tools to communicate map uncertainty and help end-users assess the reliability of DSM products for use at local *** this study,we used a large amount of hand-feel soil texture(HfST)data to assess the performance of various published DSM products on the prediction of soil particle size distribution in Central *** tested four DSM products for soil texture prediction developed at various scales(global,continental,national,and regional)by comparing their predictions with approximately 3200 HfST observations realized on a 1:50000 soil survey conducted after release of these DSM *** used both visual comparisons and quantitative indicators to match the DSM predictions and HfST *** comparison between the low-cost HfST observations and DSM predictions clearly showed the applicability of various DSM products,with the prediction accuracy increasing from global to regional *** simple evaluation can determine which products can be used at the local scale and if more accurate DSM products are required.

关键词： digital soil mapping products easy-to-understand tool hand-feel observation local use map uncertainty prediction performance spatial extent visual assessment

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Predictive value of bleeding risk scores in elderly patients with atrial fibrillation and oral anticoagulation

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老年心脏病学杂志:英文版 2023年第9期20卷 684-692页

作者： Pablo Domínguez-Erquicia Sergio Raposeiras-Roubín Emad Abu-Assi Andrea Lizancos-Castro Jose A Parada-Barcia AndréGonzález-García Ana Ledo-Piñeiro Vanesa noriega-Caro Carla Iglesias-Otero AndrésÍñiguez-Romo Department of Cardiology University HospitalÁlvaro CunqueiroVigoSpain Health Research Institute Galicia Sur VigoSpain

BACKGROUnD The predictive value of bleeding risk scores for atrial fibrillation in older patients is not as well *** goal of this study was to evaluate the predictive value of HASBLED,ORBIT and ATRIA for major bleeding(MB)and intracranial hemorrhage(ICH)in patients≥75 years with atrial fibrillation and oral anticoagulation(OAC).METHODS A retrospective unicenter study including patients≥75 years with atrial fibrillation(Af)and OAC.A total of 7613 patients≥75 years with Af and OAC included between 2014 and 2018(registry:nCT04364516).We analyzed the discriminative value of HASBLED,ATRIA and ORBIT scores for bleeding endpoints(major bleeding as primary endpoint and intracerebral hemorrhage as secondary).Cox regression was used to predict major bleeding with each scale and also for searching other variables potentially predictor of major *** discrimination was assessed using Harrell’s *** was assessed with goodness-of-fit test proposed by Gronnesby and *** During a mean follow up of 4.0 years(IQR:2.4–5.7 years),729 patients developed MB(2.61 per 100 patients/year)and 243 patients developed ICH(0.85 per 100 patients/year).Three scores showed a low discrimination for major bleeding,being ORBIT the best(HASBLED C statistic=0.557;ATRIA C statistic=0.568;ORBIT C statistic=0.595)and also a low discrimination for ICH(HASBLED C statistic=0.509;ATRIA C statistic=0.522;ORBIT C statistic=0.526).Among the variables that are part of the scores and other baseline characteristics,after multivariable adjustment only sex(male),dementia,prior admission for bleeding,anemia and liver disease were found as a predictors of *** In older patients under oral anticoagulation with atrial fibrillation,the risk scores HASBLED,ATRIA and ORBIT showed a weak discrimination for major bleeding and intracranial ***,other better alternatives should be evaluated for this purpose.

关键词： patients bleeding fibrillation

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nest site selection and reproductive parameters of the threatened Atlantic Royal flycatcher(Onychorhynchus swainsoni)and their significance for conservation

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Avian Research 2021年第1期12卷 63-75页

作者： Daniel f.Perrella Paulo V.Q.Zima Mercival R.francisco Programa de Pós-Graduacao em Ecologia e Recursos naturais Universidade Federal de SaCarlosWashington Luiz km 235SaCarlos 13565-905Brazil Departamento de Ciências Ambientais Universidade Federal de SaCarlosRod.Joao Leme dos Santos km 110Sorocaba 18052-780Brazil

Background:Patterns of rarity can be explained by reproductive rates,levels of endemism,and habitat specificity,and knowledge on these parameters is important to understand the levels of vulnerability of each species and to formulate conservation ***,we studied nest-site selection and breeding biology of the Atlantic Royal flycatcher(Onychorhynchus swainsoni),a poorly known vulnerable bird endemic to the Brazilian Atlantic ***:We addressed nest site selection in three different levels:first,we searched for nests near and far from water to investigate whether birds could select water proximities to construct nests;second,we examined if they could select certain streams in detriment of others,and we analyzed the characteristics of used and non-used streams,and third,in streams in which nests were found,we addressed nest site selectivity by comparing a number of parameters between nest sites and random ***,we provide information on breeding biology parameters related to annual ***:During five breeding seasons,we found 23 nests in a well-preserved forest *** of the nests were constructed above water,and they were found in streams that were about 4 m in width,instead of smaller streams with about 1.5 m in *** analyses revealed that within the used streams,nests were constructed in sites with lower vegetation density in relation to random points,while stream width,water speed,and canopy cover presented no significant *** Royal flycatchers in our study had a 22-day incubation period and 24 to 27-day nestling *** nest survival was comparatively high(62%),but clutch size was small(n=2 eggs)and Along the nesting streams,we found an average of 1.62±0.07 breeding pairs/***:These data suggest that nesting habitat specificity and low annual fecundity are among the factors contributing to the rarity of the Atlantic Royal flycatcher in large forest continuums and to its absenc

关键词： Atlantic forest Birds Breeding biology Daily survival rate Endangered species Specialized bird species

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Label-free impedimetric immunosensor for point-of-care detection of COVID-19 antibodies

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Microsystems & nanoengineering 2023年第1期9卷 161-176页

作者： Lian C.T.Shoute Gaser n.Abdelrasoul Yuhao Ma Pedro A.Duarte Cole Edwards Ran Zhuo Jie Zeng Yiwei f.n. Carmen L.Charlton Jamil n.Kanji Shawn Babiuk Jie Chen Department of Electrical and Computer Engineering University of AlbertaEdmontonABT6G 2V4Canada Public Health Laboratory Alberta Precision LaboratoriesEdmontonABCanada Department of Laboratory Medicine and Pathology University of AlbertaEdmontonABT6G 2B7Canada Li Ka Shing Institute for Virology University of AlbertaEdmontonABCanada Division of Infectious Diseases Department of MedicineCumming School of MedicineUniversity of CalgaryCalgaryABCanada Department of Pathology&Laboratory Medicine Cumming School of MedicineUniversity of CalgaryCalgaryABCanada national Centre for foreign Animal Disease Canadian Food Inspection AgencyWinnipegMBCanada Department of Immunology University of ManitobaWinnipegMBCanada Department of Biomedical Engineering University of AlbertaEdmontonABT6G 2R3Canada

The COVID-19 pandemic has posed enormous challenges for existing diagnostic tools to detect and monitor ***,there is a need to develop point-of-care(POC)devices to perform fast,accurate,and accessible diagnostic methods to detect infections and monitor immune *** most amenable to miniaturization and suitable for POC applications are biosensors based on electrochemical *** have developed an impedimetric immunosensor based on an interdigitated microelectrode array(IMA)to detect and monitor SARS-CoV-2 antibodies in human *** chemistry was applied to f.n.tionalize and covalently immobilize the spike protein(S-protein)of SARS-CoV-2 on the surface of the IMA to serve as the recognition layer and specifically bind anti-spike *** bound to the S-proteins in the recognition layer result in an increase in capacitance and a consequent change in the impedance of the *** impedimetric immunosensor is label-free and uses non-faradaic impedance with low nonperturbing AC voltage for *** sensitivity of a capacitive immunosensor can be enhanced by simply tuning the ionic strength of the sample *** device exhibits an LOD of 0.4 BAU/ml,as determined from the standard curve using WHO IS for anti-SARS-CoV-2 immunoglobulins;this LOD is similar to the corresponding LODs reported for all validated and established commercial assays,which range from 0.41 to 4.81 BAU/*** proof-of-concept biosensor has been demonstrated to detect anti-spike antibodies in sera from patients infected with COVID-19 within 1 h.

关键词： antibodies impedance free

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Seasonal influence and local factors affecting macroinvertebrate structure in a high-altitude Andean stream

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Journal of Mountain Science 2020年第6期17卷 1374-1386页

作者： SCHEIBLER Erica E fERnánDEZ CAMPón florencia LAGOS SILnIK Susana WELLnITZ Todd Laboratorio de Entomologia IADIZACCT CONICET MendozaAvenida Ruiz Leal s/nParque Gral.San MartinCC 5075500MendozaArgentina Consejo nacional de Investigaciones Cientificas y Tecnicas(COnICET) Avenida Rivadavia 1917C1033AAJCABAArgentina facultad de Ciencias Exactas y naturales Universidad Nacional de CuyoPadre Jorge Contreras 1300M5502JMA MendozaArgentina Biology Department University o f Wisconsin-Eau Claire105 Garfield Avenue54701Eau ClaireWisconsinUSA

Small water bodies are critical for maintaining freshwater biodiversity,but are among the least investigated aquatic *** examined physical and chemical variables at two reaches in Arroyo Tambillos,a small,high-elevation Andean stream,in nW Mendoza province,Argentina,across four seasons to examine how local factors and seasonality affected the structure of the macroinvertebrate *** Arroyo Tambillos community was numerically dominated by ephemeropterans(mainly Massartellopsis irarrazavali)while the dipteran Chironomidae were the most species *** macroinvertebrate abundance was highest in summer,driven mainly by taxa that were secondary in dominance(Austrelmis *** Andesiops peruvianus),while richness did not differ between ***,benthic composition was different in fall 2013(March)compared to other seasons,largely because of the increased abundance of *** correspondence analysis discriminated Chironomidae species distributions in fall 2013 by substrate type(i.e.,big and small boulder substrate).By contrast,discharge,velocity,and depth were the variables which most affected the macroinvertebrate abundance and *** to our expectations,most community changes observed occurred in fall instead of ***-kryal stream communities like the one described here have become increasingly important for conserving mountain stream biodiversity as anthropogentic impacts and climate change increasingly impact lower stream ***,monitoring high-altitude streams like the Arroyo Tambillos may be critical for preventing the future loss of unique and sensitive stream biota.

关键词： Ephemeroptera dominance Chironomidae richness Mountain small stream Physical variables Biodiversity Ecosystem

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Electrocaloric effect and freezing temperature in(Pb_(0.8)Ba_(0.2))[(Zn_(1/3)nb_(2/3))_(0.7)Ti_(0.3)]O_(3) relaxor ferroelectric ceramic

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Journal of Advanced Dielectrics 2016年第3期6卷 1-4页

作者： A.Peláiz-Barranco f.Calderón-Piñar Y.Mendez-González facultadde física-IMRE Universidad de La Habana.San Lázaro y LVedado.La Habana 10400Cuba

The electrocaloric effect(ECE)is studied in(Pb_(0.8)Ba_(0.2))[(Zn_(1/3)nb_(2/3))_(0.7)Ti_(0.3)]O_(3) relaxor ferroelectric ceramic by using an“indirect method”.The electric dependence for the polarization(hysteresis loops)has been obtained for several temperatures showing typical relaxor *** temperature change△T,which is associated with the ECE,is calculated by using the temperature dependence for the polarization.A maximum value for△T is observed for temperatures close above the freezing temperature,showing an indirect evidence of that critical *** results are discussed considering the contribution of the polar nanoregions to the polarization.

关键词： Relaxors ferroelectrics electrocaloric effect freezing temperature

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Accelerated protons with energies up to 70 MeV based on the optimized SG-Ⅱ Peta-watt laser facility

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High Power Laser Science and Engineering 2023年第5期11卷 127-136页

作者： H.H.An W.Wang J.Xiong C.Wang X.Pan X.P.Ouyang S.Jiang Z.Y.Xie P.P.Wang Y.L.Yao n.Hua Y.Wang Z.C.Jiang Q.Xiao f.C.Ding Y.T.Wan X.Liu R.R.Wang Z.H.f.n. P.Q.Yang Y.E.Jiang P.Z.Zhang B.Q.Zhu J.R.Sun B.Qiao A.L.Lei J.Q.Zhu Shanghai Institute of Laser Plasma China Academy of Engineering PhysicsShanghaiChina Shanghai Institute of Optics and f.n. Mechanics Chinese Academy of SciencesShanghaiChina Center for Applied Physics and Technology Peking UniversityBeijingChina national Laboratory on High Power Laser and Physics ShanghaiChina

The target backsheath field acceleration mechanism is one of the main mechanisms of laser-driven proton acceleration(LDPA)and strongly depends on the comprehensive performance of the ultrashort ultra-intense lasers used as the driving *** successful use of the SG-II Peta-watt(SG-II PW)laser facility for LDPA and its applications in radiographic diagnoses have been manifested by the good performance of the SG-II PW ***,the SG-II PW laser facility has undergone extensive maintenance and a comprehensive technical upgrade in terms of the seed source,laser contrast and terminal *** experiments were performed using the maintained SG-II PW laser beam,and the highest cutoff energy of the proton beam was obviously ***,a double-film target structure was used,and the maximum cutoff energy of the proton beam was up to 70 *** results demonstrate that the comprehensive performance of the SG-II PW laser facility was improved significantly.

关键词： laser-driven proton acceleration SG-II Peta-watt laser target normal sheath acceleration

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Simulation of the spatio-temporal evolution of the electron energy distribution f.n.tion in a pulsed hollow-cathode discharge

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Plasma Science and Technology 2023年第3期25卷 87-94页

作者： n A ASHURBEKOV K O IMInOV K M RABADAnOV G S SHAKHSInOV M Z ZAKARYAEVA M B KURBAnGADZHIEVA Dagestan State University Department of Physics Harbin Institute of Technology Institute of Physics Dagestan Federal Research CenterRussian Academy of Sciences

This article presents the 2D simulation results of a nanosecond pulsed hollow cathode discharge obtained through a combination of fluid and kinetic *** spatio-temporal evolution of the electron energy distribution f.n.tion(EEDf)of the plasma column and electrical characteristics of the nanosecond pulsed hollow cathode discharge at a gas pressure of 5 Torr are *** results show that the discharge development starts with the formation of an ionization front at the anode *** ionization front splits into two parts in the cathode cavity while propagating along its lateral *** ionization front formation leads to an increase in the fast isotropic EEDf component at its front,as well as in the anisotropic EEDf *** accelerated electrons enter the cathode cavity,which significantly contributes to the formation of the highenergy EEDf component and EEDf anisotropy.

关键词： pulsed nanosecond discharge electron energy distribution fuinction hollow cathode electron kinetics gas discharge

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SOME InEQUALITIES fOR POLYnOMIALS SATISfYInG p(z)=z^n p(1/z)

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Analysis in Theory and Applications 1996年第2期12卷 40-44页

作者： B.Datt n.K.Govil Haryana Agricultural University IndiaAuburn University USA

Let p(z)=be a polynomial degree n and let Then accord-ing to Bernstein's inequality ||p'||<n||p||.It is a well known open problem to obtain inequality analogous to Bernstein's inequality for the class IIn of polynomia... 详细信息

Let p(z)=be a polynomial degree n and let Then accord-ing to Bernstein's inequality ||p'||n||p||.It is a well known open problem to obtain inequality analogous to Bernstein's inequality for the class IIn of polynomials satisfying p(z)≡znp(1/z)Here we obtain an inequality analogous to Bernstein's inequality for a subclass of IIn Our results include several of the known results as special cases.

关键词： SOME InEQUALITIES fOR POLYnOMIALS SATISfYInG p z~n p

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