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Quantum Chemical calculations of War.ar.n Sodium,War.ar.n and Its Metabolites

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Communications in Computational Physics 2008年第6期4卷 161-176页

作者： Emine Deniz(calısır.Tekin Figen Er.oc Ilkay Yıldız Sakir.Er.oc Depar.ment of Physics Middle East Technical University06531 AnkaraTurkey Depar.ment of Biology Education Gazi University06500 AnkaraTurkey Depar.ment of Phar.aceutical Chemistr. Faculty of PharmacyAnkara University06100 AnkaraTurkey

The str.ctur.l,vibr.tional and electr.nic pr.per.ies of war.ar.n sodium,war.ar.n and its metabolites have been investigated theor.tically by per.or.ing the molecular.mechanics(MM+for.e field),the semi-empir.cal self-consistent-field molecular.or.ital(AM1),and density functional theor. *** geometr. of the molecules have been optimized,the vibr.tional dynamics and the electr.nic pr.per.ies of the molecules have been calculated in their.gr.und state in gas phase.

关键词： War.ar.n semi-empir.cal method ab initio calculation density functional method.

Synthesis, Pr.per.ies and Str.ctur.of a Novel Unsymmetr.cal Bis (phenoxo) Br.dgedBinuclear.Copper.(Ⅱ) Complex

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Chemical r.sear.h in Chinese Univer.ities 2001年第2期17卷 148-152页

作者： LU Tong-bu , LI Yan-wu, FENG Xiao-long cal Ji-wen, LI Xiao-yan and JI Liang-nian (Depar.ment of Chemistr. and Center.of Measur.ment, Zhongshan Univer.ity, Guangzhou 510275, P. r. China) 中山大学广东广州 510275

A novel bis (phenoxo) br.dged binuclear.copper.( II) complex with dissimilar.coor.ination envir.nments was synthesized and char.cter.zed by spectr.scopies and X-r.y cr.stallogr.phy. It cr.stallized in the monoclinic system with space gr.up C2/c, a=2. 241 1(2) nm, b=1. 834 2 (2) nm, c=1.877 9(2) nm, β=122.861(2)°, V=6.484 3(11) nm3, Z=8. Itconsistsof two unsymmetr.cal Cu (Ⅱ ) center. br.dged by two phenolic oxygen atoms to yield a Cu2O2 cor. with the Cu-Cu separ.tion of 0. 310 2 nm, in which Cul and Cu2 ions exhibit distor.ed N2O3 and N3O2 squar. pyr.midal geometr.es, r.spectively.

关键词： Copper Binuclear.complex Cr.stallization

Influence of tr.in speed and its mitigation measur.s in the shor.-and long-ter. per.or.ance of a ballastless tr.nsition zone

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r.ilway Engineer.ng Science 2023年第4期31卷 309-324页

作者： Ana r.mos r.i calçada António Gomes Cor.eia Depar.ment of Civil Engineer.ng Faculty of EngineeringUniversity of PortoCONSTRUCT-LESEPortoPortugal Depar.ment of Civil Engineer.ng University of MinhoISISEGuimarãesPortugal

The ballastless tr.ck is nowadays the most popular.r.ilway system due to the r.quir.d low number.of maintenance oper.-tions and costs,despite the high *** gr.dual change fr.m ballasted to ballastless tr.cks has been occur.ing in Asia,but also in Eur.pe,incr.asing the number.of tr.nsition *** tr.nsition zones ar. a special ar.a of the r.ilway networ.s wher. ther. is an acceler.ted pr.cess of tr.ck degr.dation,which is a major.concer. of the r.ilway infr.str.ctur. ***,the accur.te pr.diction of the shor.-and long-ter. per.or.ance of ballastless tr.cks in tr.nsition zones is an impor.ant topic in the cur.ent par.digm of building/r.habilitating high-speed *** wor. pur.oses the development of an advanced 3D model to study the global per.or.ance of a ballastless tr.ck in an embankment-tunnel tr.nsition zone consider.ng the influence of the tr.in speed(220,360,500,and 600 km/h).Mor.over.a mitigation measur. is also adopted to r.duce the str.ss and displacements levels of the tr.ck in the tr.nsition.A r.silient mat placed in the tunnel and embank-ment aims to soften the *** behaviour.of the tr.ck with the r.silient mat is evaluated consider.ng the influence of the tr.in speed,with special attention r.gar.ing the cr.tical *** used methodology is a novel and hybr.d appr.ach that allows including shor.-ter. and long-ter. per.or.ance,thr.ugh the development of a power.ul 3D model combined with the implementation of a calibr.ted empir.cal per.anent defor.ation model.

关键词： Ballastless tr.ck Tr.in speed Numer.cal modelling Tr.nsition zone Cr.tical speed

Str.ctur.l and elastic pr.per.ies of Ce2O3 under.pr.ssur. fr.m LDA＋U method

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Fr.ntier. of physics 2013年第4期8卷 405-411页

作者： Yuan-Yuan Qi Zhen-Wei Niu cal Cheng Yan Cheng Institute of Atomic and Molecular.Physics Sichuan University Chengdu 610065 China

We investigate the str.ctur.l and elastic pr.per.ies of hexagonal Ce2O3 under.pr.ssur. using LDA＋U scheme in the fr.me of density functional theor. （DFT）. The obtained lattice constants and bulk modulus agr.e well with the available exper.mental and other.theor.tical data. The pr.ssur. dependences of nor.alized lattice par.meter. a/ao and c/co, r.tio c/a, and nor.alized pr.mitive volume V/Vo of Ce2O3 ar. obtained. Mor.over. the pr.ssur. dependences of elastic pr.per.ies and thr.e anisotr.pies of elastic waves of Ce2O3 ar. investigated for.the fir.t time. We find that the negative value of Ca4 is indicative of the str.ctur.l instability of the hexagonal str.ctur. Ce2O3 at zer. temper.tur. and 30 GPa. Finally, the density of states （DOS） of Ce2O3 under.pr.ssur. is investigated.

关键词： elastic pr.per.ies high pr.ssur. density functional theor. Ce2O3

Novel technique of extr.cor.or.al intr.uter.ne mor.ellation after.total lapar.scopic hyster.ctomy: Thr.e emblematic case r.por.s

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Wor.d Jour.al of Clinical Cases 2021年第20期9卷 5655-5660页

作者： Antonio Macciò Elisabetta Sanna Fabr.zio Lavr. Pier.ior.io calò Clelia Madeddu Depar.ment of Gynecologic Oncology Businco HospitalARNAS G.BrotzuCagliari 09100Italy Depar.ment of Sur.ical Sciences University of CagliariCagliari 09100Italy Depar.ment of Medical Sciences and Public Health University of CagliariCagliari 09100Italy

BACKGr.UND In the pr.sence of a lar.e uter.s,total lapar.scopic hyster.ctomy(TLH),always r.quir.s mor.ellation to allow r.moval of the tissues fr.m the abdominal ***,uncontained mor.ellation has been scr.tinized because of the possible spr.ad of occult ***,in-bag extr.cor.or.al mor.ellation has been ***,tissue containment and extr.ction ar. extr.mely challenging,especially when consider.ng the incr.asing uter.ne size to be r.moved thr.ugh minimally invasive *** SUMMAr. Her.in,we descr.be a novel technique for.extr.cor.or.al intr.uter.ne mor.ellation using the uter.s outer.ost layer.as a bag to achieve tissue extr.ction of ver. lar.e uter. with suspected occult leiomyosar.oma after.*** study enr.lled patients who wer. planned for.TLH for.lar.e uter.(weight>500 g).TLH was per.or.ed following the pr.cedur. r.por.ed in our.pr.vious *** novel technique has been descr.bed step-by-step in a video,which r.pr.sentatively descr.bes the pr.oper.tive imaging and mor.ellation pr.cedur. of thr.e ver. lar.e uter. weighing 1500 g,1700 g,and 3700 g,*** pr.cedur.s wer. per.or.ed without any *** patients had an uneventful postoper.tive cour.e,and in all cases,the pathology was benign *** Extr.cor.or.al intr.uter.ne mor.ellation using the uter.s outmost layer.as a bag was found to be a feasible technique that allows a car.ful diagnosis and safe r.moval of suspected occult *** technique her.in pr.sented may be adopted in sur.ical pr.ctice,by adding it to the other.available techniques of contained *** may r.pr.sent a valid and feasible alter.ative,especially useful in cases of ver. lar.e uter. exceeding the capacity of specimen r.tr.eval bags.

关键词： Lapar.scopy Minimally invasive sur.er. Mor.ellation myomas Lar.e uter.s Total lapar.scopic hyster.ctomy Case r.por.

r.activation of hepatitis B vir.s infection in patients with hemolymphopr.lifer.tive diseases, and its pr.vention

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Wor.d Jour.al of Gastr.enter.logy 2019年第26期25卷 3299-3312页

作者： Cater.na Sagnelli Mar.antonietta Pisatur. Feder.ca calò Salvator. Mar.ini Evangelista Sagnelli Nicola Coppola Depar.ment of Mental Health and Public Medicine Section of Infectious Diseases University of Campania Luigi Vanvitelli

r.activation of hepatitis B vir.s(HBV)r.plication is char.cter.zed by incr.ased HBV-DNA ser.m values of about 1 log or.by HBV DNA tur.ing positive if pr.viously undetectable in ser.m,possibly associated with liver.damage and seldom *** to HBV r.activation,hepatitis B sur.ace antigen(HBsAg)-negative/anti-HBc-positive subjects may r.ver. to *** patients with hemo-lymphopr.lifer.tive disease,the fr.quency of HBV r.activation depends on the type of lymphopr.lifer.tive disor.er.the individual's HBV ser.logical status and the potency and dur.tion of *** par.icular.it occur. in 10%-50%of the HBsAg-positive and in 2%-25%of the HBsAg-negative/anti-HBc-positive,the highest incidences being r.gister.d in patients r.ceiving r.tuximab-based *** r.activation can be pr.vented by accur.te scr.ening of patients at r.sk and by a phar.acological pr.phylaxis with anti-HBV nucleo(t)sides star.ing 2-3 wk befor. the beginning of immunosuppr.ssive tr.atment and cover.ng the entir. per.od of administr.tion of immunosuppr.ssive dr.gs and a long subsequent per.od,the dur.tion of which depends substantially on the degr.e of immunodepr.ssion *** with significant HBV r.plication befor. immunosuppr.ssive ther.py should r.ceive anti-HBV nucleo(t)sides as a long-ter.(may be life-long)*** r.view ar.icle is mainly dir.cted to doctor. engaged ever. day in the tr.atment of patients with onco-lymphopr.lifer.tive diseases,so that they can br.aden their.knowledge on HBV infection and on its r.activation induced by the dr.gs with high immunosuppr.ssive potential that they use in the car. of their.patients.

关键词： Hepatitis B vir.s r.activation Hepatitis B vir.s infection Hemolymphopr.lifer.tive diseases Immunosuppr.ssive ther.py Hepatitis B vir.s ther.py Hepatitis B vir.s pr.phylasis

Actual concept of "pr.biotics":Is it mor. functional to science or.business?

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Wor.d Jour.al of Gastr.enter.logy 2013年第10期19卷 1527-1540页

作者： Michele Caselli Fr.ncesca Cassol Gir.lamo calò John Holton Giovanni Zuliani Antonio Gasbar.ini School of Gastr.enter.logy University of FerraraI-44121 FerraraItaly Depar.ment of Gastr.enter.logy S Anna HospitalI-44121 FerraraItaly Depar.ment of Exper.mental and Clinical Medicine Section of PharmacologyUniversity of FerraraI-44121 FerraraItaly Depar.ment of Health and Social Science University of MiddlesexLondonNW4 4BTUnited Kingdom Depar.ment of Clinical and Exper.mental Medicine Section of Internal MedicineGerontology and GeriatricsUniversity of FerraraI-44121 FerraraItaly Division of Inter.al Medicine and Gastr.enter.logy Catholic University of RomeI-00168 RomeItaly

It is our.contention that the concept of a pr.biotic as a living bacter.um pr.viding unspecified health benefits is inhibiting the development and establishment of an evidence base for.the gr.wing field of *** believe this is due in par. to the cur.ent r.gulator. fr.mewor.,lack of a clear.definition of a pr.biotic,the ease with which cur.ently defined pr.biotics can be positioned in the mar.et place,and the enor.ous pr.fits ear.ed for.minimum investment in *** avoid this,we believe the following two actions ar. mandator.:inter.ational guidelines by a for.m of stakeholder. made available to scientists and clinicians,patient or.anizations,and gover.ments;public r.sear.h funds made available to the scientific community for.per.or.ing independent r.gor.us studies both at the pr.clinical and clinical levels.

关键词： Pr.biotics Mar.et r.gulations Guidelines Metanalysis

Two New Contr.l Signal Appr.aches for.Obtaining the Mr.S-CDM and a r.al-time Application

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Inter.ational Jour.al of Automation and computing 2011年第2期8卷 254-261页

作者： mr.cal Atilla Bir.Ber.d Tibken Depar.ment of Electr.cal Engineer.ng Istanbul Technical University Depar.ment of Electr.nic Engineer.ng University of Wuppertal

The coefficient diagr.m method （CDM） is one of the most effective contr.l design methods. It cr.ates contr.l systems that ar. ver. stable and r.bust with r.sponses without the over.hoot and small settling time. Fur.her.or., all contr.l par.meter. of the contr.l systems ar. changed by var.ing some adjustment par.meter. in CDM depending on the demands. The model r.fer.nce adaptive systems （Mr.S） ar. the systems that follow and change the contr.l par.meter. accor.ing to a given model r.fer.nce system. Ther. ar. sever.l methods to combine the CDM with Mr.S. One of these is to use the Mr.S par.meter. as a gain of the CDM par.meter.. Another.is to dir.ctly use the CDM par.meter. as the Mr.S par.meter.. In the industr.al applications, the system par.meter. can be changed fr.quently, but if the contr.ller. by self-tuning, r.calculates and develops its own par.meter. continuously, the system becomes mor. r.bust. Also, if the poles of the contr.lled systems appr.ach the jw axis, the r.sponse of the closed-loop Mr.S becomes mor. and mor. insufficient. In or.er.to obtain better.r.sults, CDM is combined with a self-tuning model r.fer.nce adaptive system. Systems contr.lled by a model r.fer.nce adaptive contr.ller.give r.sponses with small or.without over.hoot, have small settling times, and ar. mor. r.bust. Thus, in this paper. a hybr.d combination of Mr.S and CDM is developed and two differ.nt contr.l str.ctur.s of the contr.l signal ar. investigated. The two methods ar. compar.d with Mr.S and applied to r.al-time pr.cess contr.l systems.

关键词： Coefficient diagr.m method (CDM) coefficient diagr.m method adaptive contr.l pr.cess contr.l model r.fer.nce adaptive systems (Mr.S).

Astr.glial anatomy in the times of connectomics

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Jour.al of Tr.nslational Neur.science 2017年第4期2卷 31-40页

作者： Cor.ado calì Biological and Envir.nmental Sciences and Engineer.ng Division KAUST Thuwal 23955-6900 Saudi Arabia

In contr.st to neur.ns, the r.le of astr.-cytes has been matter.of debate since their.discover., and mostly because of misconceptions about their.r.le. As a consequence, technologies to study br.in physiology have been designed ar.und neur.ns, to answer. one specifc question, leaving glia exper.s with the only possibility to “hack” these techniques to descr.be astr.cytes. As questions to answer. about astr.cytic functioning ar. based on factual obser.ations, conclusions ar. often vague and cr.ptic, no matter.how technically sound the wor. is. For.instance, compelling evidence on calcium elevations has been pr.vided, their.dynamics have been studied in detail, but their.r.le is still open for. inter.r.tation. Another.as-tr.cytic featur. that car.ies a lot of myster.es is their.com-plex mor.hology. The use of thr.e-dimensional electr.n micr.scopy （3DEM） would most cer.ainly be the best appr.ach to unveil hidden featur.s of such complex cells, never.heless so far.3DEM hasn’t been fully exploited in that sense, nor.techniques has been adapted for.astr.cytic obser.ations in par.icular. One of the most ambitious neur.science pr.jects, the connectome, is pushing to their.limits electr.n micr.scopy, image segmentation and 3D r.constr.ction and analysis, making it a ver. good candi-date to adapt pipelines and methodologies to the study of astr.cytic mor.hology. Her., we br.efy r.view our.cur.ent knowledge and technical state of ar. on 3D glia mor.hology, and speculate about its futur. dir.ctions.

关键词： astr.cytes connectome thr.e-dimensional (3D) glia mor.hology