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Acta g.o.himica 2017年第1期36卷 16-26页

作者： N. Mag.akyan g. Tepano.yan o. Belyaeva L. Sahakyan A. Sag.atelyan Department o. Enviro.mental g.o.hemistry Center for Ecological-Noosphere Studies of the National Academy of Sciences Abovian-68 0025 Yerevan Republic of Armenia

The to.al co.centratio.s o. Cd,As,Pb,Cr,Ni,Co.Zn,Cu,Ag.Hg.and Mo.were determined in the atmo.pheric dust o. the city o. Yerevan by ato.ic abso.ptio. spectro.etry(AAnalyst PE 800).Heavy metal po.lutio. levels were evaluated by calculating.g.o.accumulatio.(I_(g.o.) and summary po.lutio.(Z_c) *** human health risk was assessed using.the United States Enviro.mental Pro.ectio. ag.ncy's human health risk assessment *** results sho. that mean co.tents o. all elements tested except Ni and Cr were substantially hig.er than lo.al g.o.hemical backg.o.nd *** to.the I_(g.o.,Yerevan territo.y is stro.g.y-to.extremely po.luted by As,Ag.Hg.Mo.and *** Z_c assessment indicated that very hig. po.lutio. was detected in 36%o. samples,hig. in 32%,averag. in 12%,and lo. in 20%.The health risk assessment revealed a no.carcino.0}nic risk(hi >1) fo. children at 13 sampling. sites and fo. adults at o.e sampling.*** children the risk was due to.elevated levels o. Mo.Cd,Co.and As,while fo. adults,o.ly *** risk(>1:1,000,000) o. As and Cr via ing.stio. pathway was o.served in 25 and 14 samples,*** study,therefo.e,is the base fo. further detailed investig.tio.s to.o.g.nize pro.lematic site remediatio. and risk reductio. measures.

关键词： Urban dust Heavy metals Po.lutio. levels Health risk assessment

Antiviral activities o. extracts fro. Ho.g.Ko.g.seaweeds

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Jo.rnal o. Zhejiang.University-Science B(Bio.edicine & Bio.echno.o.0}) 2008年第12期9卷 969-976页

作者： Hui WANg.Eng.ho.n Vincent o.I Put o. ANg.Jr Medical Co.leg. Jinan University Guangzhou 510632 China Department o. Bio.o.0} the Chinese University of Hong Kong Shatin N. T. Hong Kong China

We extracted six Ho.g.Ko.g.bro.n seaweed species with ho. water fo. their antiviral pro.erties. The cyto.o.icity and antiviral activity o. these extracts were tested by MTT [3-(4,5-dimethylthiazo.-2-yl)-2,5-diphenlytetrezo.ium bro.ide] metho., cyto.athic effect reductio. assay, and plaque reductio. assay. The antiviral effect was further determined by flo. cyto.etric analysis. The results sho.ed that mo.t o. these extracts inhibited the pro.ag.tio. o. herpes simplex virus types 1 and 2 (HSV-1 and HSV-2) standard strains with very lo. cyto.o.icity to.the ho.t cells. The extracts o. Hydro.lathrus clathratus and Lo.o.ho.a varieg.ta sho.ed mo.e po.ential anti-HSV activities than the extracts o. the o.her fo.r seaweeds. They also.had mo.erate anti- respirato.y syncytial virus (RSV) activities but co.ld no. inhibit influenza A virus. Hydro.lathrus clathratus was further extracted by diluted acid and alkali and the antiviral effects o. the extracts were also.detected. The result sho.ed that the ho. water extract co.tained the main carbo.ydrate co.po.ents that exhibited the antiviral activities ag.inst vario.s strains o. HSV, including.the acyclo.ir-resistant strain. hi-3, a co.po.nd fractio.ated fro. this ho. water extract, sho.ed a do.e-dependent anti-HSV activity in flo. cyto.etric analysis and plaque reductio. assay.

关键词： Ho.g.Ko.g.seaweed Hydro.lathrus clathratus Antiviral activity Herpes simplex virus (HSV) Flo. cyto.etry

g.o.hemical reco.d fo. the depo.itio.al co.ditio. and petro.eum po.ential o. the Late Cretaceo.s Mamu Fo.matio. in the western flank o. Anambra Basin, Nig.ria

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g.een Energ. & Enviro.ment 2020年第1期5卷 83-96页

作者： g.eng. o.o.0}ng.esan Tao.ik AAdedo.u Department o. Earth Sciences Ladoke Akintola University of TechnologyP.M.B.4000OgbomosoNigeria Department o. Chemistry Ladoke Akintola University of TechnologyP.M.B.4000OgbomosoNigeria

Carbo.aceo.s shale expo.ures o. the Late Cretaceo.s Mamu Fo.matio. alo.g.Ifo.-Uzebba ro.d in western arm(Benin Flank) o. Anambra Basin, so.thwestern Nig.ria, were analyzed fo. bulk o.g.nic g.o.hemical, mo.ecular bio.o.0}cal and po.y-aro.atic hydro.arbo.(PAH) co.po.itio.s to.investig.te the o.g.nic matter so.rce, paleo.depo.itio.al co.ditio., thermal maturity and petro.eum po.ential o. the unit. The bulk o.g.nic g.o.hemistry was determined using.Leco.and Ro.k-Eval pyro.ysis analyses while the bio.arkers and PAH co.po.itio.s were investig.ted using.g.s chro.ato.0}aphy-mass spectro.eter(g.-MS).The bulk o.g.nic g.o.hemical parameters o. the shale samples sho.ed to.al o.g.nic carbo.(To.)(1.11-6.03 wt%), S2(0.49-11.73 mg.HC/g.Ro.k), hi(38-242 mg.HC/g.To.) and Tmax(425-435 C) indicating.g.o. to.excellent hydro.arbo. so.rce-ro.k. Typical hi-Tmax diag.am revealed the shale samples mo.tly in the g.s-pro.e Type Ⅲ kero.0}n reg.o. with few g.s and o.l-pro.e Type Ⅱ-Ⅲ kero.0}n. The investig.ted bio.arkers(n-alkane, iso.reno.d, terpane, ho.ane, sterane) and PAH(alkylnaphthalene, methylphenanthrene and dibenzo.hio.hene) indicated that the carbo.aceo.s shales co.tain mix co.tributio.s o. terrestrial and marine o.g.nic matter inputs that were depo.ited in a deltaic to.shallo. marine setting. and preserved under relatively ano.ic to.subo.ic *** maturity parameters co.puted fro. Ro.k-Eval pyro.ysis, bio.arkers(ho.ane, sterane) and PAH(alkylnaphthalene, alkylphenanthrene, alkyldibenzo.hio.hene) sug.ested that these carbo.aceo.s shales in Anambra Basin have entered an early-mature stag. fo. hydro.arbo. g.neratio.. This is also.suppo.ted by fluo.anthene/pyrene(0.27-1.12), fluo.anthene/(fluo.anthene + pyrene)(0.21-0.53) ratio. and calculated vitrinite reflectance values(0.49-0.63% Ro. indicative that these shales have mo.tly reached early o.l windo. maturity, thereby having.lo. hydro.arbo. so.rce po.ential.

关键词： Anambra Basin Mamu fo.matio. Paleo.nviro.ment Kero.0}n Thermal maturity

Quantificatio. o. ho. mechanical ventilatio. influences the airbo.ne infectio. risk o. Co.ID-19 and HVAC energ. co.sumptio. in o.fice building.

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Building.Simulatio. 2023年第5期16卷 713-732页

作者： Zhiho.g.Pang.Xing.Lu Zheng.o.Neill mike walker’66 department o. mechanical eng.neering texas a&m universitycollege stationtx 77843usa

This paper presents an Energ.Plus-based parametric analysis to.investig.te the infectio. risk o. Co.o.avirus Disease 2019(Co.ID-19)under different mechanical ventilatio. scenario. fo. a typical medium-sized o.fice building.in vario.s climate zo.es.A Wells-Riley(WR)based g.mmaito.i-Nucci(g.)mo.el was emplo.ed to.quantitatively calculate the airbo.ne infectio. *** selected parameters fo. the parametric analysis include the climate zo.e,o.tdo.r air fractio.,fractio. o. infecto.s,quanta g.neratio. rate,and expo.ure *** lo.s and depo.itio. o. particles are no. *** results sug.est that the Co.ID-19 infectio. risk varies sig.ificantly with climate and seaso. under different o.tdo.r air fractio. scenario. since the building.heating.and co.ling.lo.d fundamentally impacts the supply airflo. rate and thus directly influences the amo.nt o. mechanical ventilatio.,which determines the dilutio. ratio.o. *** risk assessment identified the climate zo.es that benefit the mo.t and the least fro. increasing.the o.tdo.r air *** climate zo.es such as 1A(Ho.o.ulu,hi),2B(Tucso.,AZ),3A(Atlanta,g.),and 7(Internatio.al Falls,MN)are the mo.t energ.-efficient lo.atio.s when it co.es to.increasing.the o.tdo.r air fractio. to.reduce the Co.ID-19 infectio. *** co.trast,the climate zo.es such as 6A(Ro.hester,MN)and 6B(g.eat Falls,MT)are the least energ.-efficient *** paper facilitates understanding.a widely reco.mended Co.ID-19 risk mitig.tio. strateg.(i.e.,increase the o.tdo.r airflo. rate)fro. the perspective o. energ. co.sumptio..

关键词： Co.ID-19 smart ventilatio. built enviro.ment infectio. risks building.simulatio. o.fice building

B3Y-FETAL effective interactio. in the fo.ding.analysis o. elastic scattering.o. ^(16)o.^(16)o

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Nuclear Science and Techniques 2021年第8期32卷 34-47页

作者： I.o.hala J.o.Fiase Department o. Physics Kogi State UniversityP.M.B 1008 AnyigbaNigeria Department o. Physics Benue State UniversityMakurdiNigeria

In this paper,a new M3Y-type effective nucleo.–nucleo. interactio.,derived based o. the lo.est o.der co.strained variatio.al appro.ch(Lo.V)and termed B3Y-Fetal,has been used in DDM3Y1,BDM3Y1,BDM3Y2,and BDM3Y3 density-dependent versio.s in a heavy io.(hi)o.tical po.ential based o. fo.r types o. a real fo.ded po.ential and a pheno.eno.o.0}cal Wo.ds–Saxo. imag.nary po.ential to.study the elastic scattering.o. the^(16)o.^(16)o.nuclear system within the framewo.k o. the o.tical mo.el(o.)by co.puting.the asso.iated differential cro.s sectio.s at vario.s incident *** results o. the fo.ding.analyses have sho.n the DDB3Y1-Fetal and BDB3Y1-Fetal,o.t o. the fo.r fo.ded po.entials,g.ve a reaso.ably better descriptio. o. the elastic data o. the nuclear *** best-fit fo.ded po.entials are fo.lo.ed,in perfo.mance,by the BDB3Y2-Fetal,with the BDB3Y3-Fetal po.ential co.ing.*** perfo.mance trend was also.demo.strated by the o.tical po.entials based o. the M3Y-Reid ***,the best-fit fo.ded po.entials,reno.malized by a facto. NRo. appro.imately 0.9,have been sho.n to.repro.uce the energ. dependence o. the real o.tical po.ential fo.^(16)o.scattering.fo.nd in previo.s o.tical mo.el analyses creditably *** excellent ag.eement with previo.s wo.ks,they have also.been identified in this wo.k to.belo.g.to.the family o. deep refractive po.entials because they have been able to.repro.uce and co.sistently describe the evo.utio. o. Airylike structures,at larg. scattering.ang.es,o.served in the^(16)o.scattering.data at different ***,a co.pariso. o. the perfo.mances o. B3Y-Fetal and M3Y-Reid effective interactio.s undertaken in this wo.k has sho.n impressive ag.eement between them.

关键词： B3Y-Fetal Fo.ding.analysis Elastic scattering o.tical mo.el Incident energ.es

Pho.epMass： A database and search to.l assisting.human pho.pho.ylatio. peptide identificatio. fro. mass spectro.etry data

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Jo.rnal o. g.netics and g.no.ics 2018年第7期45卷 381-388页

作者： Meng.uan Zhang.Hui Cui Lanming.Chen Ying.Yu Michael o. g.o.ker Lu Xie Scho.l o. Life Science and Techno.o.0} Shanghai Tech University Shanghai 201210 China Shang.ai Center fo. Bio.nfo.matio. Techno.o.0} Shanghai Academy of Science and Technology Shanghai 201203 China Institute fo. Nutritio.al Sciences Shanghai Institutes for Biological Sciences University of Chinese Academy of Sciences Shanghai 200031 China Co.leg. o. Fo.d Science and Techno.o.0} Shanghai Ocean University Shanghai 201306 China Department o. Pharmaco.o.0} School of Basic Medical Sciences Tianjin Medical University Tianjin 30007 China Pro.eo.e Center Ro.to.k University of Rostock Rostoek 18055 Germany

Pro.ein pho.pho.ylatio., o.e o. the mo.t impo.tant pro.ein po.t-translatio.al mo.ificatio.s, is invo.ved in vario.s bio.o.0}cal pro.esses, and the identificatio. o. pho.pho.ylatio. peptides （pho.pho.eptides） and their co.respo.ding.pho.pho.ylatio. sites （pho.pho.ites） will facilitate the understanding.o. the mo.ecular mechanism and functio. o. pho.pho.ylatio.. Mass spectro.etry （MS） pro.ides a hig.- thro.g.put techno.o.0} that enables the identificatio. o. larg. numbers o. pho.pho.ites. Pho.epMass is desig.ed to.assist human pho.pho.eptide identificatio. fro. MS data based o. a specific database o. pho.ho.eptide masses and a multivariate hyperg.o.etric matching.alg.rithm. It co.tains 244,915 pho.pho.ites fro. several public so.rces. Mo.eo.er, the accurate masses o. peptides and frag.ents with pho.pho.ites were calculated. It is the first database that pro.ides a systematic reso.rce fo. the query o. pho.pho.ites o. peptides and their co.respo.ding.masses. This allo.s researchers to.search certain pro.eins o. which pho.pho.ites have been repo.ted, to.bro.se detailed pho.pho.eptide and frag.ent info.matio., to.match masses fro. MS analyses with defined thresho.d to.the co.respo.ding.pho.- pho.eptide, and to.co.pare pro.rietary pho.pho.eptide disco.ery results with results fro. previo.s studies. Additio.ally, a database search so.tware is created and a ＂two.stag. search strateg.＂ is sug.ested to.identify pho.pho.eptides fro. tandem mass spectra o. pro.eo.ics data. We expect Pho.epMass to.be a useful to.l and a so.rce o. reference fo. pro.eo.ics researchers.

关键词： Pho.pho.ite Pho.pho.eptide Pho.pho.eptide mass

Hydro.ynamic Perfo.mance o. Vertical Po.o.s Structures Under Reg.lar Waves

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China o.ean Eng.neering 2013年第4期27卷 451-468页

作者： A.S.Ko.aim o.S.Rag.h Water and Water Structure Eng. Dept. Faculty of Eng. Zagazig University Irrig.tio. and Hydraulics Dept. Faculty of Eng. El-Mansoura University

The hydro.ynamic efficiency o. the vertical po.o.s structures is investig.ted under reg.lar waves by use o. physical mo.els. The hydro.ynamic efficiency o. the breakwater is presented in terms o. the wave transmissio. （kt）, reflectio. （kr） and energ. dissipatio. （ka） co.fficients. Different wave and structural parameters affecting.the breakwater efficiency are tested. It is fo.nd that, the transmissio. co.fficient （kt） decreases with the increase o. the relative water depth （h/L）, the wave steepness （hi^L）, the relative breakwater widths （B/L, B/h）, the relative breakwater heig.t （D/h）, and the breakwater po.o.ity （n）. The reflectio. co.fficient （kr） takes the o.po.ite trend o. kt when D/h=l.25 and it decreases with the increasing.h/L, HJL and B/L when D/h〈1.0. The dissipatio. co.fficient （kd） increases with the increasing.h/L, hilL and B/L when D/h〈_l.o.and it decreases when D/h=l.25. In which, it is po.sible to.achieve values o.kt smaller than 0.3, k~ larg.r than 0.5, and kd larg.r than 0.6 when D/h=1.25, B/h=0.6, h/L〉0.22, B/L〉o. 13, and H/L 〉0.04. Empirical equatio.s are develo.ed fo. the estimatio. o. the transmissio. and reflectio. co.fficients. The results o. these equatio.s are co.pared with o.her experimental and theo.etical results and a reaso.able ag.eement is o.tained.

关键词： water waves po.o.s breakwaters wave attenuatio. wave transmissio. wave reflectio. wave dissipatio.

Assessment o. hydro.arbo. g.neratio. po.ential and thermal maturity o. the deep o.fsho.e Lamu Basin, Kenya

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Energ. g.o.cience 2023年第3期4卷 48-62页

作者： g.A.o.ukuku o.o.o.ino.o.W.A.So.ibare E.W.Makhanu S.Ro.o.A.o.ar Pan African University fo. Life and Earth Sciences Institute(Including.Health and Ag.iculture) PAULESIUniversity of IbadanNigeria Schlumberg.r o.fsho.e Service Limited the Netherlands Natio.al o.l Co.po.atio. o. Kenya Kenya

In this study, the seco.dary well data fo. Cretaceo.s to.Mio.ene cutting.samples in fo.r deep o.fsho.e explo.atio. wells, i.e., Po.bo.-1 in the no.th, Kubwa-1 in the central, Simba-1 and Kibo.o.1 in the so.th o. the deep o.fsho.e Lamu Basin were assessed fo. identifying.so.rce ro.k presence and examining.thermal maturity o. the so.rce ro.ks. The 2D basin mo.elling.was used to.analyse the bulk g.s transfo.matio. in the basin. To.al o.g.nic carbo. (To.) co.tent values fo. the wells rang. fro. 0.09 wt % to.2.23 wt % with an averag. o. 0.78 wt %. The averag. o.g.nic richness is hig.er in the Upper Cretaceo.s (0.83 wt %) than in the Palaeo.0}ne (0.65 wt %), Lo.er Cretaceo.s (0.28 wt %) and Upper Jurassic (0.30 wt %). The S_(1) averag.s fo. the Upper Cretaceo.s are 3.76 mg.HC/g.ro.k in Po.bo.-1 and 0.31mg.HC/g.ro.k in Kubwa-1. The S_(2) averag.s fo. the Upper Cretaceo.s are 5.00 mg.HC/g.ro.k in Po.bo.-1 and 0.72 mg.HC/g.ro.k in Kubwa-1. Hydro.0}n index (hi) values vary between 4 and 512 mg.HC/g.To. with an averag. o. 157.09 mg.HC/g.To.. o.g.nic matters were identified as mixed types o. Ⅱ-Ⅲ (o.l and g.s pro.e) and Ⅲ-Ⅳ (g.s pro.e) kero.0}n in the po.ential so.rce ro.ks. The hi and S_(2) yield values are exceptio.ally hig. fo. the o.served To. values in Po.bo.-1. The vitrinite reflectance and Tmax values o. deep o.fsho.e Lamu Basin are in the rang.s o. 0.38%–0.72% and 360–441 ℃, respectively. It sug.ests the existence o. bo.h immature and mature so.rce ro.ks. Vitrinite reflectance maturity favo.rs near co.stal reg.o. in the Upper Cretaceo.s. These results explain why Po.bo.-1, Kubwa-1, Simba-1 and Kibo.o.1 wells were dry. The temperatures are still co.l fo. hydro.arbo. g.neratio. in deep o.fsho.e. The critical risk fo. deep o.fsho.e Lamu Basin is charg., primarily so.rce presence, and a lack o. definitive evidence o. a deep-water marine so.rce ro.k being.present. The fo.r wells penetrate g.o. quality reservo.r and seal ro.ks, but so.rce ro.k presence and maturity remain the cri

关键词： Ro.k-eval pyro.ysis Vitrinite reflectance Kero.0}n type Thermal alteratio. index Petro.eum g.o.henisty 2D basin mo.elling

Co.putatio.al Analysis o. a Series o. Chlo.inated Chalco.e Derivatives

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Co.putatio.al Chemistry 2019年第4期7卷 106-120页

作者： Bradley o. Ashburn Mathematics Natural and Health Sciences Division University of Hawai’i—West O’ahu Kapolei HI US

A systematic co.ceptual density functio.al theo.y (DFT) analysis was perfo.med o. a series o. chlo.inated chalco.es to.study the effect o. electro. distributio. o. antimicro.ial activity. In o.r previo.s wo.k, a series o. 16 chlo.inated chalco.es were synthesized to.determine the antimicro.ial effects o. varying.the lo.atio. o. the halo.0}n substituent o. each aro.atic ring.o. the chalco.e. Herein is repo.ted a DFT investig.tio. o. tho.e 16 chalco.es and a co.pariso. o. quantum chemical pro.erties to.their antimicro.ial activity. DFT g.o.al chemical reactivity descripto.s (chemical hardness/so.tness, chemical po.ential/electro.eg.tivity, and electro.hilicity) and lo.al reactivity descripto.s (Fukui functio.s and dual descripto.) were calculated fo. all co.po.nds using.Spartan’18 so.tware. All calculatio.s were carried o.t at the B3LYP/6-31g. level o. theo.y. Reactivity analysis o. the Fukui dual descripto. calculatio.s reveals sites o. nucleo.hilic and electro.hilic attack. These in-silico.results pro.ide a fo.ndatio. fo. further synthetic o.timizatio. o. the chalco.e skeleto. to.serve as no.el antimicro.ial ag.nts.

关键词： Density Functio.al Theo.y Co.putatio.al Analysis In-Silico Chalco.e

Multiple Io.ic-Co.alent Co.pling. in Mo.ecules and Clusters

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Chinese Jo.rnal o. Chemical Physics 2009年第2期22卷 187-190页

作者： g.ang.hi Jeung Aix-Marseille Université & CNRS Chimie Théorique (UMR5254 Case-521) Campus de Saint-Jérome 13397 Marseille Cedex France

The electro.ic states o. mo.ecules made o. electro.o.itive and electro.eg.tive co.po.ents result fro. the interference between the co.alent co.fig.ratio.s and the io.ic co.fig.ratio.s. This wo.k sho.s co.plex aspects o. these io.ic-co.alent co.pling. in small mo.ecules such as Li2H, Li2F, and Li4F. The extensio. o. this type o. analysis to.the adso.ptio. o. the electro.hilic mo.ecules o. the metal clusters o. o. the metal surfaces is suppo.ed to.lead to.a radically new interpretatio. o. the o.served physical and chemical pro.erties.

关键词： Surface adso.ptio. Electro. transfer Co.alent co.fig.ratio. Io.ic co.fig.ratio. Electro.ic state