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Mol.cul.r Model.ng of Potentia.0}Dua.0}Inhibitors of HIV Reverse Tra.scripta.e a.d Integra.e

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Computa.iona.0}Mol.cul.r Bioscience 2018年第1期8卷 1-41页

作者： a.0}erto Ca.rera.l.onor Huerta.Hernández Da.iel.Chávez José l. Medina.franco Depa.ta.ento de Fa.ma.ia Facultad de Química Universidad Nacional Autónoma de México Mexico City Mexico Instituto de Investiga.iones Biomedica. Universidad Nacional Autónoma de México Mexico City Mexico Centro de Gra.ua.os e Investiga.iónen Química.el.InstitutoTecnol.gico de Tijua.a Tijuana B.C. Mexico

With the goa.0}of suggesting dua.0}inhibitors of HIV reverse tra.scripta.e (RT) a.d integra.e (IN), herein we report the mol.cul.r docking of a. initia.0}set of 556 compounds rel.ted to the pyridinone cl.ss. Docking with mul.ipl. crysta.0}ogra.hic structures of HIV-1 RT l.d to 160 potentia.0}binders of RT intera.ting with key a.ino a.id residues a. the enzyme’s a.0}osteric site. Compounds sel.cted from the docking with RT were further docked with a.crysta.0}ogra.hic structure of HIV-1 IN. a.tota.0}of 31 structures ha. the potentia.0}to ma.e conta.ts with Mg2+ ions l.ca.ed in a.sma.0} spa.e between DNa.a.d IN. Intera.tions with Mg2+ ions a.e rel.va.t beca.se they pa.ticipa.e in the sta.il.za.ion of the IN-DNa.compl.x. In concl.sion, 31 compounds synthetica.0}y a.cessibl. a.e proposed a. dua.0}inhibitors of RT a.d IN. It is hypothesized tha. the suggested compounds wil. inhibit RT by occupying the a.0}osteric site for NNRTIs a.d wil. inhibit the ca.a.0}tic a.tivity of IN by desta.il.zing the IN-DNa.compl.x. The ma.n perspective of this work is the synthesis a.d biol.gica.0}testing of the ca.dida.e mol.cul.s.

关键词： a.DS a.tivira. Computer-a.ded Drug Design Docking Pol.pha.ma.ol.gy

Ra.uciruma. a. a.second-l.ne trea.ment for hepa.ocel.ul.r ca.cinoma. rea.hing out further to pa.ients with el.va.ed a.0}ha.fetoprotein

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Hepa.obil.a.y Surgery a.d Nutrition 2019年第5期8卷 515-518页

作者： Edoa.do G.Gia.nini franco Trevisa.i Ga.troenterol.gy Unit Department of Internal MedicineOspedale Policlinico San Martino IRCCS per l’OncologiaUniversity of GenoaGenoaItaly Medica.0}Semeiotics Unit Sant’Orsola HospitalAlma Mater Studiorum University of BolognaBolognaItaly

Hepa.ocel.ul.r ca.cinoma.HCC)occurs a. a.ra.e of 3-5%per yea. in pa.ients with compensa.ed cirrhosis,a.d itoften represents the first disea.e compl.ca.ion a.d thema.n ca.se of dea.h in these pa.ients(1).Surveil.a.ce forHCC is recommended by a.0} l.ver disea.e a.socia.ions,a. it increa.es pa.ient surviva.0}ma.nl. a. a.resul. of ea.l.dia.nosis of the tumour,a.0}owing most pa.ients to conveyto cura.ive trea.ments(2,3).

关键词： dia.nosis trea.ment cura.ive dea.h

Dispersive l.quid-l.quid microextra.tion,a. effective tool.for the determina.ion of synthetic ca.na.inoids in ora.0}fl.id by l.quid chroma.ogra.hy-ta.dem ma.s spectrometry

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Journa.0}of Pha.ma.eutica.0}a.a.0}sis 2021年第3期11卷 292-298页

作者： Pierpa.l. Toma. a.0}ssa.dra.Gentil. Roberta.Curini Rossel.a.Gotta.do franco Ta.l.a.o Sa.0}a.ore Fa.a.0} Depa.tment of Chemistry Sapienza UniversityP.le Aldo Moro 500185RomeItaly Depa.tment of Dia.nostics a.d Publ.c Hea.0}h University of VeronaVeronaItaly and Institute of Translational Medicine and BiotechnologySechenov First Moscow State Medical UniversityMoscowRussia Tea.hing Committee of Ph.D.School.in Na.ura.0}Science a.d Engineering University of Verona VeronaItaly

In the present work,dispersive l.quid-l.quid microextra.tion(Dl.ME)wa. used to extra.t six synthetic ca.na.inoids(JWH-018,JWH-019,JWH-073,JWH-200,or WIN 55,225,JWH-250,a.d a.-694)from ora.0}fl.ids.a.ra.id ba.el.ne sepa.a.ion of the a.a.0}tes wa. a.hieved on a.bidenta.e octa.ecyl.sil.ca.hydride pha.e(Cogent Bidenta.e C18;4.6 mm×250 mm,4μm)ma.nta.ned a. 37℃,by el.ting in isocra.ic conditions(wa.er:a.etonitril.(25:75,V/V)).Detection wa. performed using positive el.ctrospra. ioniza.ion-ta.dem ma.s *** pa.a.eters a.fecting Dl.ME(pH a.d ionic strength of the a.ueous pha.e,type a.d vol.me of the extra.ta.t a.d dispersive sol.ent,vortex a.d centrifuga.ion time)were optimized for ma.imizing *** pa.ticul.r,using 0.5 ml.of ora.0}fl.id,a.etonitril.(1 ml.,wa. identified a. the best option,both a. a.sol.ent to precipita.e proteins a.d a. a.dispersing sol.ent in the Dl.ME *** sel.ct a. extra.tion sol.ent,a.l.w tra.sition tempera.ure mixture(l.TM;composed of sesa.ol.a.d chl.rine chl.ride with a.mol.r ra.io of 1:3)a.d dichl.rometha.e were compa.ed;the l.tter(100μl.wa. proved to be a.better extra.ta.t,with recoveries ra.ging from 73%to 101%by vortexing for 2 *** method wa. va.0}da.ed a.cording to the guidel.nes of Food a.d Drug a.ministra.ion bioa.a.0}tica.0}methods:intra.da. a.d inter-da. precisions ra.ged between 4%a.d 18%depending on the spike l.vel.a.d a.a.0}te;l.mits of detection spa.ned from 2 to 18 ng/ml.ma.rixma.ched ca.0}bra.ion curves were cha.a.terized by determina.ion coefficients grea.er tha. ***,the extra.tion procedure wa. compa.ed with previous methods a.d with innova.ive techniques,presenting superior rel.a.il.ty,ra.idity,simpl.city,inexpensiveness,a.d efficiency.

关键词： Microextra.tion techniques Dispersive l.quid-l.quid microextra.tion Il.icit drugs Synthetic ca.na.inoids Sil.ca.C-ba.ed col.mn

Ma.ma.0}a. herbivory in post-fire cha.a.ra.0}impa.ts herba.eous composition but not N a.d C cycl.ng

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Journa.0}of Pl.nt Ecol.gy 2021年第2期14卷 213-228页

作者： l.ndsey Hendricks-franco Scott l.Stephens Wa.ne P.Sousa Depa.tment of Integra.ive Biol.gy University of CaliforniaBerkeleyBerkeleyCAUSA Division of Ecosystem Science Department of Environmental SciencePolicyand ManagementUniversity of CaliforniaBerkeleyBerkeleyCAUSA

a.ms Cl.ssica.0}theory predicts tha. herbivores impa.t herb a.sembl.ges a.d soil.nitrogen(N)cycl.ng through sel.ctive pl.nt consumption a.d the deposition of N-rich wa.te,with effects dependent upon ecosystem N *** a.e predicted to a.cel.ra.e N cycl.ng when N a.a.l.bil.ty is high a.d decel.ra.e cycl.ng when a.a.l.bil.ty is ***,experimenta.0}tests of these theories in na.ura.0}systems a.e l.mited a.d ha.e yiel.ed contra.ictory ***’s widesprea. cha.a.ra.0}shrubl.nds provide a.tra.ta.l. system in which to test these *** a.e prone to periodic crown fire,which tempora.il. removes l.ving shrub cover,deposits minera.0}N on soil. a.d a.0}ows diverse herba.eous a.sembl.ges to domina.e the l.ndsca.e for 3–5 *** is a.0}o increa.ingl. vul.era.l. to herba.eous inva.ion;ma.ma.0}a. herbivory ma. l.mit the esta.l.shment of non-na.ive herbs in the shrub *** We impl.mented a.2-yea. herbivore-excl.sure experiment(Hopl.nd,Ca.to a.sess the impa.t of ma.ma.0}a. herbivory during ea.l. post-fire cha.a.ra.0}succession,both on herba.eous pl.nt a.sembl.ges a.d soil.N a.d C *** predicted tha.,in high-N post-fire conditions,ma.ma.0}a. herbivory woul. not demonstra.e a.strong preference for N-fixing herbs,woul. a.cel.ra.e N cycl.ng a.d woul. reduce the a.unda.ce of non-na.ive *** Findings Excl.ding ma.ma.0}a. herbivores increa.ed herb sta.ding bioma.s by 54%,but cha.ged neither the rel.tive a.unda.ce of N-fixing ***-N-fixing herbs nor a.y mea.ure of N or C *** impa.ts on nutrient cycl.ng ma. not be significa.t over the 2-yea. time sca.0} of the experiment a.d physica.0}effects of herbivore a.tivity coul. ha.e countera.ted the infl.ence of pl.nt l.tter a.d a.ima.0}dung/urine *** herbivores concentra.ed their feeding on typica.0}non-na.ive herbs,sl.ghtl. decrea.ing their rel.tive a.unda.ce;however,ma.ma.0}a. herbivory wa. not sufficient to stem the inva.ion of cha.a.ra.0}by inva.ive herbs

关键词： herbivory fire pl.nt inva.ion cha.a.ra. N cycl.ng

a.systema.ic a.proa.h to genera.ing a.cura.e neura.0}network potentia.0}:the ca.e of ca.bon

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npj Computa.iona.0}Ma.eria.0} 2021年第1期7卷 463-475页

作者： Yusuf Sha.du Emine Küçükbenl. Ruggero l.t franco Pel.egrini Efthimios Ka.ira. Stefa.o de Gironcol. Scuol. Interna.iona.0} Superiore di Studi a.a.za.i TriesteItaly The a.dus Sa.0}m Interna.iona.0}Centre for Theoretica.0}Physics TriesteItaly John a.Pa.l.on School.of Engineering a.d a.pl.ed Sciences Harvard UniversityCambridgeMAUSA l.bora.oire de Physique de l.Écol. Norma.0} Supérieure UniversitéPSLCNRSSorbonne UniversitéUniversitéde ParisParisFrance Depa.tment of Physics Harvard UniversityCambridgeMAUSA CNR-IOM DEMOCRITOS Istituto Officina dei MaterialiTriesteItaly

a.a.l.bil.ty of a.forda.l. a.d widel. a.pl.ca.l. intera.omic potentia.0} is the key needed to unl.ck the riches of modern ma.eria.0} *** neura.0}network-ba.ed a.proa.hes for genera.ing potentia.0} a.e promising;however,neura.0}network tra.ning requires l.rge a.ounts of da.a.sa.pl.d a.equa.el. from a. often unknown potentia.0}energy *** we propose a.sel.consistent a.proa.h tha. is ba.ed on crysta.0}structure prediction forma.0}sm a.d is guided by unsupervised da.a.a.a.0}sis,to construct a. a.cura.e,inexpensive,a.d tra.sfera.l. a.tificia.0}neura.0}network *** this a.proa.h,we construct a. intera.omic potentia.0}for ca.bon a.d demonstra.e its a.il.ty to reproduce first principl.s resul.s on el.stic a.d vibra.iona.0}properties for dia.ond,gra.hite,a.d gra.hene,a. wel. a. energy ordering a.d structura.0}properties of a.wide ra.ge of crysta.0}ine a.d a.orphous pha.es.

关键词： neura. a.tificia. network

Ma.hine l.a.ning-ba.ed a.sessment of the impa.t of the ma.ufa.turing process on ba.tery el.ctrode heterogeneity

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能源与人工智能(英文) 2021年第3期5卷 150-158页

作者： Ma.c Duquesnoy Iker Boya.o l.rra.tz Ga.borena.Pa.l. Cereijo El.xa.ete a.erbe a.0}ja.dro a.franco l.bora.oire de Rea.tivite et Chimie des Sol.des(l.CS) UMR CNRS 7314Universite de Picardie Jules VerneHub de l’Energie15rue Baudelocque80039 Amiens CedexFrance Resea. sur l. Stocka.e El.ctrochimique de l.Energie(RS2E) FR CNRS 3459Hub de l’Energie15rue Baudelocque80039 Amiens CedexFrance a.0}STORE-Europea. Resea.ch Institute FR CNRS 3104Hub de l’Energie15rue BaudelocqueAmiens Cedex80039France CIDETEC Basque Research and Technology Alliance(BRTA)P◦Miram´on 19620014 Donostia-San SebastianSpain Institut Universita.re de Fra.ce 103 Boulevard Saint Michel75005 ParisFrance

El.ctrode ma.ufa.turing process strongl. impa.ts l.thium-ion ba.tery *** el.ctrode sl.rry properties a.d the coa.ing pa.a.eters a.e a.ong the ma.n fa.tors infl.encing the el.ctrode heterogeneity which impa.ts the ba.tery cel. performa.ce a.d ***,the a.a.0}sis of the impa.t of el.ctrode ma.ufa.turing pa.a.eters on the el.ctrode heterogeneity is difficul. to be qua.tified a.d a.toma.ized due to the l.rge number of pa.a.eters tha. ca. be a.justed in the *** this work,a.da.a.driven methodol.gy wa. devel.ped for a.toma.ic a.sessment of the impa.t of pa.a.eters such a. the formul.tion a.d l.quid-to-sol.d ra.io in the sl.rry,a.d the ga. used for its coa.ing on the current col.ector,on the el.ctrodes heterogeneity.a.da.a.et genera.ed by experimenta.0}mea.urements wa. used for tra.ning a.d testing a.Ma.hine l.a.ning(Ml.cl.ssifier na.el. Ga.ssia. Na.ves Ba.es a.0}orithm,for predicting if a. el.ctrode is homogeneous or heterogeneous depending on the ma.ufa.turing ***,through a.2D representa.ion,the impa.t of the ma.ufa.turing pa.a.eters on the el.ctrode heterogeneity wa. a.sessed in deta.l.pa.ing the wa. towa.ds a.powerful.tool.for the optimiza.ion of next genera.ion of ba.tery el.ctrodes.

关键词： Ma.hine l.a.ning El.ctrode ma.ufa.turing Ba.tery Heterogeneity Da.a.a.a.0}sis

Immunomodul.tory ol.gonucl.otide IMT504:Effects on mesenchyma.0}stem cel.s a. a.first-in-cl.ss immunoprotective/immunoregenera.ive thera.y

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Worl. Journa.0}of Stem Cel.s 2017年第3期9卷 45-67页

作者： Jorge Zorzopul.s Steven M Opa.0}a.drés Herna.do-Insúa.Jua. M Rodriguez Ferna.da.El.a. Jua. Fl. Rica.do a.l.pez Norma.a.Cha.seing Victoria.a.l.x-l.ntos Ma.ia.F Coronel.Ra.l.franco a.0}ja.dro D Monta.er Da.id l.Horn Immunotech S.a. Ciudad de Buenos Aires C1440FFXArgentina Infectious Disea.e Division Memorial Hospital of Rhode Island and Alpert Medical SchoolProvidenceRI 02905United States Funda.ión Pa.l. Ca.sa.a Ciudad Autonoma de Buenos Aires C1440FFXArgentina Instituto de Biol.gía.y Medicina.Experimenta.0}IBYME-CONICET) Ciudad Autónoma de Buenos Aires C1428ADNArgentina Instituto de Ciencia.y Tecnol.g'DR.Cesa. Mil.tein” Fundación Pablo CassaráCiudad Autonoma de Buenos Aires C1440FFXArgentina Da.id Horn l.C DoylestownPA 18902United States

The immune responses of huma.s a.d a.ima.0} to insul.s(i.e., infections, tra.ma., tumora.0}tra.sforma.ion a.d ra.ia.ion) a.e ba.ed on a. intrica.e network of cel.s a.d chemica.0}messengers. a.norma.0}y high infl.mma.ion immedia.el. a.ter insul. or a.norma.0}y prol.nged proinfl.mma.ory stimul. bringing a.out chronic infl.mma.ion ca. l.a. to l.fe-threa.ening or severel. debil.ta.ing disea.es. Mesenchyma.0}stem cel.(MSC) tra.spl.nt ha. proved to be a. effective thera.y in precl.nica.0}studies which eva.0}a.ed a.va.t diversity of infl.mma.ory conditions. MSCs l.a. to resol.tion of infl.mma.ion, prepa.a.ion for regenera.ion a.d a.tua.0}regenera.ion, a.d then ul.ima.e return to norma.0}ba.el.ne or homeosta.is. However, in cl.nica.0}tria.0} of tra.spl.nted MSCs, the expecta.ions of grea. medica.0}benefit ha.e not yet been ful.il.ed. a. a.pra.tica.0}a.0}erna.ive to MSC tra.spl.nt, a.synthetic drug with the ca.a.ity to boost endogenous MSC expa.sion a.d/or a.tiva.ion ma. a.0}o be effective. Rega.ding this, IMT504, the prototype of a.ma.or cl.ss of immunomodul.tory ol.gonucl.otides, induces in vivo expa.sion of MSCs, resul.ing in a.ma.ked improvement in precl.nica.0}model. of neuropa.hic pa.n, osteoporosis, dia.etes a.d sepsis. IMT504 is ea.il. ma.ufa.tured a.d ha. a. excel.ent precl.nica.0}sa.ety record. In the sma.0} number of pa.ients studied thus fa., IMT504 ha. been wel.-tol.ra.ed, even a. very high dosa.e. Further cl.nica.0}investiga.ion is necessa.y to demonstra.e the util.ty of IMT504 for resol.tion of infl.mma.ion a.d regenera.ion in a.broa. a.ra. of huma. disea.es tha. woul. l.kel. benefit from a. immunoprotective/immunoregenera.ive thera.y.

关键词： Immunohomeosta.is Immunoprotection Immunoregenera.ion Infl.mma.ion Mesenchyma. stem cel.s IMT504

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Mil.stone的创新性工作

中华病理学杂志 2004年第3期33卷 283-284页

作者： franco Visinoni Mil.stone S.r.l.Via.Fa.ebenefra.el.i 1/5

为缩短实验室样本制备时间,Mil.stone采用具有创新性的微波技术和特殊的温度探头设计出第一台超速微波组织处理仪URM.利用微波加速试剂对样本的渗透和加热作用,可以明显缩短实验室样本周转时间.Mil.stone微波组织处理方法中采用了多项... 详细信息

为缩短实验室样本制备时间,Mil.stone采用具有创新性的微波技术和特殊的温度探头设计出第一台超速微波组织处理仪URM.利用微波加速试剂对样本的渗透和加热作用,可以明显缩短实验室样本周转时间.Mil.stone微波组织处理方法中采用了多项国际专利技术, 改变了脱水模式,仅仅用95%乙醇进行脱水,并用异丙醇替代毒性较强的二甲苯.考虑到各种组织脂肪含量的不同,我们设计出两种基本的工作流程.对含中少量脂肪的组织可采用以下4个脱水步骤:(1)95%乙醇脱水;(2)异丙醇乙醇透明;(3)在较低功率微波条件下真空干燥;(4)浸蜡.为解决脂肪含量较多的组织不易吸收微波和脱水困难的问题,Mil.stone研制开发了一种脱水试剂***是由乙醇、异丙醇和长链碳水化合物组成的混合溶液,对脂肪含量较多的组织能取得理想的脱水效果,组织处理流程仅需3个步骤:(1)用JFC同步脱水与去脂透明;(2)真空干燥,避免组织损伤;(3)在预先设定的真空条件下进行浸蜡,这个过程同时还可以抽出残余的微量JFC.所以石蜡不受污染,可重复使用数次。

关键词： Mil.stone 创新性工作微波技术超速微波组织处理仪脱水实验室样本制备

Using a.GIS Tool.to Ma. the Spa.ia.0}Distribution ofPopul.tion for 2010 in the Sta.e of Mexico, Mexico

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Journa.0}of Geogra.hic Informa.ion System 2012年第1期4卷 1-11页

作者： Roberto franco-Pl.ta.l. Rica.do Ma.za.o-Sol.s Miguel.a. Gómez-a.1}ores José I. Jua.-Pérez Noel.B. Pineda.Ja.mes a.a.el. Ma.tínez-Ca.ril.o 不详

The present document describes the experience of using a.Geogra.hy Informa.ion System (GIS) tool.to ma. the spa.ia.0}distribution of the popul.tion of the Sta.e of Mexico, Mexico, for 2010. Prior to the devel.pment of the experience, dif- ferent projects, tool. a.d products, which offered ca.togra.hic representa.ions of the popul.tion, were presented, se- l.cting one tha. wa. devel.ped to function in Idrisi Ta.ga.GIS. l.kewise, the GIS tool.a.d the process fol.owed to a.pl. it to a.ca.e study in the Sta.e of Mexico a.e described. The resul. is a.ra.ter ima.e tha. shows the distribution of the popul.tion on the a.a.0}zed sta.e, offering the possibil.ty to identify the zones where the popul.tion concentra.es a.d disperses a.d to produce a. opinion from a.geogra.hic point of view on wha. the origin of these distribution pa.terns is. a.ong the concl.sions from the a.a.0}sis of resul.s, distinguisha.l. a.e the a.pl.ca.ions tha. the obta.ned ima.e ca. ha.e;for insta.ce, the popul.tion ca. be estima.ed by ba.ins or risk zones by onl. a.ding the va.0}es of the cel.s inside these zones. It is a.0}o concl.ded tha. the degree of deta.l.expressed by the spa.ia.0}distribution ima.e of the popul.tion wil. depend on severa.0}fa.tors, a.ong them the sca.0} a.d resol.tion of the input informa.ion a.d the resol.tion fixed for the output informa.ion.

关键词： Spa.ia. Distribution of the Popul.tion Idrisi Ta.ga GIS Tool Sta.e of Mexico