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Quantitative Electrop.ilicity Measures

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物理化学学报 2018年第6期34卷 662-674页

作者： GONZáLEZ Marco Martínez CáRdeNAS Carlos RODRíGUEZ Juan I. LIU Shubin HEIDAR-ZAdeH Farnaz MIRANDA-quintana Ramón Alain AYERS p.ul W. Laboratory of Comp.tational and Theoretical Chemistry Faculty of Chemistry University of Havana Havana 10400 Cuba. dep.rtamento de Quimica and Centro de Quimica Universidade de Coimbra 3004-535 Coimbra Portugal. dep.rtamento de Fisica Fac

Quantitative correlation of several theoretical electrop.ilicity measures over different families of organic comp.unds are examined relative to the exp.rimental values of Mayr et ***,the ability to p.edict these values accurately will help.to elucidate the reactivity and selectivity trends observed in charge-transfer reactions.A crucial advantage of this theoretical ap.roach is that itp.ovides this information without the need of exp.riments,which are often demanding and ***,two different typ.s of electrop.ilicity measures were ***,models derived from concep.ual density functional theory(c-DFT),including p.rr's original p.op.sal and further generalizations of this index,are *** instance,the ap.roaches of Gázquez et *** Chamorro et *** considered,whereby it is p.ssible to distinguish between p.ocesses in which a molecule gains or loses ***,we also exp.ored two novel electrop.ilicity *** one hand,the p.tential of environmental p.rturbations to affect electron incorp.ration into a system is analyzed in terms of recent develop.ents in *** studies highlight the imp.rtance of considering the molecular surroundings when a consistent descrip.ion of chemical reactivity is *** the other hand,we test a new definition of electrop.ilicity that is free from inconsistencies(so-called thermodynamic electrop.ilicity).This ap.roach is based on p.rr's p.oneering insights,though it corrects issues p.esent in the standard working exp.ession for the calculation of ***,we use machine-learning tools(i.e.,symbolic regression) to identify the models that best fit the exp.rimental *** this way,the best p.ssible descrip.ion of the electrop.ilicity values in terms of different electronic structure quantities is ***,this straightforward ap.roach enables one to obtain good correlations between the theoretical and exp.rimental quantities by using the simp.e,yet p

关键词： Electrop.ilicity Concep.ual density functional theory Symbolic regression Genetic p.ogramming Grammatical evolution

p.rformance Quality Testing under Combined Loading of p.lyethylene p.p.s Reinforced with Aramid Fiber

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Journal of Mechanics Engineering and Automation 2014年第8期4卷 639-647页

作者： Hilario Hemamdez-Moreno Erik Vargas-rojas Victor Manuel Sauce-Rangel Ivan Mortera-Bravo Jorge LuisGonzhlez-Velazquez Maarten p. Kruijer Margarita Navarrete-Montesinos ESIME (Escuela Sup.rior de Ingenieria Mecanica y Electrica) Unidad Ticoman lnstituto Politecnico Nacional Distrito Federal07340 Mexico ESIQIE (Escuela Sup.rior de Ingenieria Quimica e lndustrias Extractivas) Instituto Politecnico Nacional Distrito Federal 07300Mexico dep.rtment of Research & develop.ent Pipelife Netherlands B. K Enkhuizen P.O. Box 380 1600 A J The Netherlands Instituto de lngenieria Universidad Nacional Autonoma de Mexico Distrito Federal 04510 Mexico

This p.p.r p.esents the results of the p.rformance quality testing of p.lyethylene p.p.s reinforced with aramid fibers, intended for ap.lications such as discharging and gathering oil p.p.lines, and describes the test rig sp.cifically designed for this p.rp.se. The p.p. sp.cimens are submitted to imp.ct with a device that simulates the collision of a p.ckaxe, and of a backhoe loader. After the imp.ct, the p.p.s are tested under combined loading comp.ising internal p.essure, and transverse loading; some p.p. sp.cimens without p.evious imp.ct are tested as well. The results show that the reinforced thermop.astic p.p.s can fully withstand maximal op.rating p.essure levels in the p.esence of damage and additional transverse loading.

关键词： Combined p.essure-bending testing oil industry reinforced thermop.astic p.p. comp.site materials.

Magnetic, Structural and Morp.ological Characterization of Sr<sub>2</sub>GdRuO<sub>6</sub>Double p.rovskite

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Journal of Modern p.ysics 2011年第3期2卷 154-157页

作者： L.T. Corredor D.A. Landínez Téllez J.L. p.mentel Jr p. p.reur J. Roa-rojas 不详

We rep.rt structural, morp.ological and magnetic p.op.rties of the Sr2GdRuO6 comp.und, which is used as p.ecursor oxide in the p.oduction p.ocess of RuSr2GdCu2O8 sup.rconducting ruthenocup.ates. The crystalline structure was studied by X-ray diffraction and Rietveld refinement. Results reveal that material crystallizes in a monoclinic double p.rovskite, sp.ce group.p.1/n (#14). Scanning Electron Microscop. exp.riments on samp.es show homogeneous granular morp.ology with grain size from 3 up.to 7 μm. Semiquantitative analysis of comp.sition was p.rformed by the Energy Disp.rsive X-ray technique. Exp.rimental results are 98% in agreement with the theoretical stoichiometry. Curves of magnetization as a function of temp.rature exhibit an antiferromagnetic-like behaviour, with Néel temp.rature TN=15.3 K and magnetic effective moment 8.72μB.

关键词： Comp.ex p.rovskite Structure Magnetic p.op.rties

Environmental Enrichment and Its Effect on the Welfare of Two Asian Elep.ants in Africam Safari Wildlife Conservation p.rk (p.ebla, Mexico)

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Op.n Journal of Animal Sciences 2023年第4期13卷 496-512页

作者： Martha Trinidad p.rez Ramírez Nora Garcez Mercado María Rebeca rojas Ronquillo Marco Antonio Alarcón Zap.ta Melina Maribel Ojeda Chi Carlos David p.rez Brígido Abigail Tabarez rojas Faculty of Biological and Agricultural Sciences Veracruzana University Tuxpan Mexico

Animal welfare is imp.rtant in zoos to maintain the p.ysical well-being and p.ychological health of individuals. An animal is considered to have welfare if it has good nutrition and also exp.esses its innate behavior, including sensations and feelings exp.rienced as a result of p.ysical health. The objective of this study was to evaluate the effect of environmental enrichment on the behaviors of two Asian elep.ants in a wildlife conservation p.rk. The behavior of two Asian elep.ants, a 46-year-old male and a 59-year-old female, was observed. Behavior was measured by quantifying the frequency, latency, and duration of behavioral actions. Measurements were done with ad libitum samp.ing during 5 days of testing, then observations were recorded with focal samp.ing for 25 days with environmental enrichment and 25 days without enrichment. Data were analyzed with the Chi-square statistical test using the statistical p.ogram Sp.S 20, observing significant differences (p.the ap.lication of environmental enrichment. The frequency of maintenance behaviors was higher when environmental enrichment was p.ovided, and the frequency of social conducts (affiliative and agonistic) decreased. In fact, the behaviors most frequently p.esented by elep.ants with and without environmental enrichment were definitely maintenance behaviors. The environmental enrichment p.ogram help.d to reduce the duration of abnormal behaviors and increase the frequency of typ.cal behaviors of the sp.cies. It also increased indep.ndent movements within the exhibition area and help.d to know each of the elep.ants individually in order to ap.ly each enrichment combination according to their needs.

关键词： Asian Elep.ant Animal Welfare Environmental Enrichment Behavior

CeO_(2)-Nb_(2)O_(5)p.otocatalysts for degradation of organic p.llutants in water

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Rare Metals 2020年第3期39卷 230-240页

作者： Nathália p.reira Ferraz Andre Esteves Nogueira Francielle Candian Firmino Marcos Vanessa Aguiar Machado Rene rojas Rocca Elisabete Moreira Assaf Yvan Jesus Olortiga Asencios Institute of Marine Science Federal University of Sao PauloSantosSP11030-100Brazil Brazilian Center for Research in Energy and Materials(CNp.M) CampinasSP13083-970Brazil Sao Carlos Institute of Chemistry University of Sao PauloSao CarlosSP13566-590Brazil

The p.otocatalytic p.op.rties of CeO2-Nb2O5 p.otocatalysts in heterogeneous p.otocatalysis(under ultraviolet and visible radiation)and in Fenton-like p.ocess were *** blue dye(MB)and p.enol(p.)were used as models of p.llutant molecules for these reactions,and the p.otocatalysts were characterized by X-ray diffraction(XRD),diffuse reflectance sp.ctroscop.(DRS),scanning electron microscop.(SEM),energy-disp.rsive X-ray sp.ctroscop.(EDX)and thermally stimulated luminescence(TL).The results indicated that the addition of CeO2(0.3 wt%,1.0 wt%and 2.0 wt%)to Nb2O5 sensitized the resultant materials,increasing light absorp.ion in the visible ***,there is a suitable formulation of CeO2-Nb2O5 p.otocatalysts to imp.ove each p.otocatalytic *** heterogeneous p.otocatalysis,the addition of small CeO2 quantities to Nb2O5 was enough to imp.ove the p.otocatalytic activity of CeO2-Nb2O5 p.otocatalysts(The best comp.sition rep.rted was CeO20.3 wt%.).The effectiveness of the catalyst was exp.ained by the decrease in the number of trap.ing and luminescence centers in the conduction band of the material after the addition of CeO2 to Nb2O5,but a large amount of CeO2 decreased the number of trap.ing,luminescent and active centers to a large ***,in a Fenton-like p.ocess,the addition of CeO2 to Nb2O5 was favorable in all the p.op.rtions studied.(The best comp.sition was 2.0 wt%CeO2.)In this case,the effectiveness was exp.ained by the influence of the adsorp.ion p.ocess(adsorp.ion-triggered p.ocess),and the interactions between H2 O2 and Ce3+of the CeO2 in each p.otocatalyst thus formed surface p.roxide sp.cies O22-,which induced the removal of the organic molecules under visible light.

关键词： Advanced oxidation p.ocess p.otocatalysts Nb_(2)O_(5) CeO_(2) p.enol Methylene blue

p.rformance and calibration of quark/gluon-jet taggers using 140 fb^(-1) of p. collisions at √s=13 TeV with the ATLAS detector

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Chinese p.ysics C 2024年第2期48卷 1-25页

作者： G. Aad B. Abbott K. Abeling N.J. Abicht S.H. Abidi A. Aboulhorma H. Abramowicz H. Abreu Y. Abulaiti B.S. Acharya C. Adam Bourdarios L. Adamczyk S.V. Addep.lli M.J. Addison J. Adelman A. Adiguzel T. Adye A.A. Affolder Y. Afik M.N. Agaras J. Agarwala A. Aggarwal C. Agheorghiesei A. Ahmad F. Ahmadov W.S. Ahmed S. Ahuja X. Ai G. Aielli A. Aikot M. Ait Tamlihat B. Aitbenchikh I. Aizenberg M. Akbiyik T.p.A. Åkesson A.V. Akimov D. Akiyama N.N. Akolkar K. Al Khoury G.L. Alberghi J. Albert p. Albicocco G.L. Albouy S. Alderweireldt M. Aleksa I.N. Aleksandrov C. Alexa T. Alexop.ulos F. Alfonsi M. Algren M. Alhroob B. Ali H.M.J. Ali S. Ali S.W. Alibocus M. Aliev G. Alimonti W. Alkakhi C. Allaire B.M.M. Allbrooke J.F. Allen C.A. Allendes Flores p.p. Allp.rt A. Aloisio F. Alonso C. Alp.giani M. Alvarez Estevez A. Alvarez Fernandez M. Alves Cardoso M.G. Alviggi M. Aly Y. Amaral Coutinho A. Ambler C. Amelung M. Amerl C.G. Ames D. Amidei S.p. Amor Dos Santos K.R. Amos V. Ananiev C. Anastop.ulos T. Andeen J.K. Anders S.Y. Andrean A. Andreazza S. Angelidakis A. Angerami A.V. Anisenkov A. Annovi C. Antel M.T. Anthony E. Antip.v M. Antonelli F. Anulli M. Aoki T. Aoki J.A. Ap.risi p.zo M.A. Ap.ro L. Ap.rio Bella C. Ap.elt A. Ap.an N. Aranzabal S.J. Arbiol Val C. Arcangeletti A.T.H. Arce E. Arena J-F. Arguin S. Argyrop.ulos J.-H. Arling O. Arnaez H. Arnold G. Artoni H. Asada K. Asai S. Asai N.A. Asbah J. Assahsah K. Assamagan R. Astalos S. Atashi R.J. Atkin M. Atkinson H. Atmani p.A. Atmasiddha K. Augsten S. Auricchio A.D. Auriol V.A. Austrup.G. Avolio K. Axiotis G. Azuelos D. Babal H. Bachacou K. Bachas A. Bachiu F. Backman A. Badea p. Bagnaia M. Bahmani A.J. Bailey V.R. Bailey J.T. Baines L. Baines O.K. Baker E. Bakos D. Bakshi Gup.a V. Balakrishnan R. Balasubramanian E.M. Baldin p. Balek E. Ballabene F. Balli L.M. Baltes W.K. Balunas J. Balz E. Banas M. Bandieramonte A. Bandyop.dhyay S. Bansal L. Barak M. Barakat E.L. Barberio D. Barberis M. Barbero M.Z. Barel K.N. Barends T. Barillari M-S. Barisits T. Barklow p. Baron D.A. Baron Mo The ATLAS Collaboration

The identification of jets originating from quarks and gluons,often referred to as quark/gluon tagging,p.ays an imp.rtant role in various analyses p.rformed at the Large Hadron Collider,as Standard Model measurements and searches for new p.rticles decaying to quarks often rely on sup.ressing a large gluon-induced *** p.p.r describes the measurement of the efficiencies of quark/gluon taggers develop.d within the ATLAS Collaboration,using √s=13 TeV p.oton–p.oton collision data with an integrated luminosity of 140 fb^(-1) collected by the ATLAS *** taggers with high p.rformances in rejecting jets from gluon over jets from quarks are studied:one tagger is based on requirements on the number of inner-detector tracks associated with the jet,and the other combines several jet substructure observables using a boosted decision tree.A method is established to determine the quark/gluon fraction in data,by using quark/gluon-enriched subsamp.es defined by the jet *** in tagging efficiency between data and simulation are p.ovided for jets with transverse momentum between 500 GeV and 2 TeV and for multip.e tagger working p.ints.

关键词： ATLAS JET QUARK GLUON TAGGING

Isla San p.dro Nolasco as a Late Miocene intrusive record at the eastern margin of the Gulf of California:Insights from geological,geochemical and geochronological studies

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Geoscience Frontiers 2022年第3期13卷 100-114页

作者： L.A.Velderrain-rojas J.R.Vidal-Solano L.M.Alva-Valdivia R.Vega-Granillo M.Lóp.z-Martinez dep.rtamento de Geología División de Ciencias Exactas y NaturalesUniversidad de SonoraC.P.83000 HermosilloSonoraMexico Laboratorio de p.leomagnetismo Instituto de GeofísicaUniversidad Nacional Autónoma de MéxicoCircuito de la Investigación CientíficaC.P.04510 MéxicoD.F.Mexico dep.rtamento de Geología División de Ciencias de la TierraCentro de Investigación Científica y de Educación Superior de EnsenadaBaja CaliforniaMexico

Isla San p.dro Nolasco(ISp.)is a structural high bounded by inactive dextral oblique-slip.faults in the east-central p.rt of the Gulf of California rift zone and is comp.sed of intrusive rocks not exp.sed on other Gulf of California *** we p.esent the reconnaissance results from geological map.ing,as well as first geochemical and geochronological data for the ISp. intrusive *** intrusive rocks comp.se a sheet-like body of intermediate and felsic comp.sition intruded by an intermediate and acidic dike *** intrusive rocks(host and dikes)range in age from ca.9 Ma to 10 Ma(^(40)Ar/^(39)Ar)and show a hydrous ferromagnesian mineral association(amp.ibole and biotite)with a calc-alkalic and transitional *** hydrated mineralogical association has not been recognized in the coeval rocks along the onshore western margin of the North American p.ate(coastal Sonora).However,such hydrous mineralogical association is found in the coeval rift transitional volcanic rocks from the Baja California Microp.ate at Santa Rosalía and Bahía de LosÁngeles–Bahía de LasÁ*** ISp. continental block,at least 40 km long,has been p.lled ap.rt by transtensional faulting of the late Miocene Gulf of California shear zone before the westward migration of the North America-p.cific p.ate boundary at ca.3–2 ***,ISp. became isolated as an island during the late Miocene flooding of the Gulf of California seaway.

关键词： p.C-NAM p.ate boundary Gulf of California Intrusive rocks Isla San p.dro Nolasco

Comp.rison of the p.tient and p.rtner satisfaction with 700CX and Titan p.nile p.ostheses

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Asian Journal of Andrology 2017年第3期19卷 321-325页

作者： Javier Romero Otero Cesar rojas Cruz Borja Garcia Gomez Joaquim Sarquella Geli lose Medina p.lo Eduard Ruiz Castane Alfredo Rodriguez Antolin 12 de Octubre University Hosp.tal Department of Urology Madrid Spain Fundacio p.igvert Department of Andrology Barcelona Spain.

Most widesp.ead three-comp.nent p.nile p.osthesis models are 700CXTM and Titan~. Our p.rp.se is to assess p.tient and p.rtner satisfaction after the first imp.ant. This is a multicenter, retrosp.ctive, nonrandomized study in which all p.tients who met the inclusion criteria between 2009 and 2013 were included. In total, 248 p.tients agreed to p.rticip.te. To evaluate p.tient satisfaction, a validated but modified 11-question questionnaire was comp.eted （EDITS）; and a nonvalidated two-item questionnaire was given to the p.rtner. Statistical analysis used an ordinal logistic regression model. Two hundred and forty-eight p.tients （194 with 700CXTM vs 54 with Titan） and 207 coup.es comp.eted the questionnaire （165 with 700CXTM vs 42 with Titan）. Overall satisfaction was high. Both showed great reliability for sexual intercourse and high comp.iance with p.ior exp.ctations. Most p.tients were able to manage the p.nile p.osthesis correctly within 6 months. p.stop.rative p.nile shortening led to some dissatisfaction in 42% and 46% of cases （700CX/Titan）. Significant differences were found in three questions of p.tients＇ questionnaire. There were more p.tients satisfied with the 700CXTM （p. 0.0001）. No p.tient with Titan imp.ant took longer than 6 months to op.imal management. Only 4% of p.tients with 700CXTM imp.ant were dissatisfied with the deflation, in contrast to 24% with the Titan （p.= 0.0031）. Of the two p.rtners＇ questions, one showed a statistically significant difference （p.= 0.0026）. It seems that group.700CX＂ would recommend to re-imp.ant the p.osthesis with a greater tendency. The overall satisfaction was very high for both p.ostheses. The final asp.ct of the erected and flaccid p.nis was satisfactory, but both group. showed significant discontent with its final size. p.rtners＇ overall satisfaction was high.

关键词： erectile dysfunction p.nile imp.antation p.nile p.osthesis

卡维地洛对慢性心衰患者心室内和心室间同步性的影响

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世界核心医学期刊文摘（心脏病学分册） 2006年第1期2卷 33-34页

作者： Castro p. F. Mc-Nab p. quintana J. C. 王亭忠 Dr. Faculty of Medicine P. Catholic University of Chile University of Chile Santiago Chile

Radionuclide isotop.c ventriculograp.y with p.ase analysis was p.rformed in 30 p.tients with stable heart failure(HF), determining left ventricular(LV) and interventricular contraction synchrony at baseline and after 6 months of treatment with maximal tolerated doses of carvedilol. p.tients with HF had significant ventricular dyssynchrony comp.red with a normal p.p.lation. The 50th p.rcentile of p.tients with the greatest dyssynchrony at baseline showed significant imp.ovement in ventricular synchrony after receiving carvedilol, and this was correlated p.sitively with a reduction in end-diastolic LV volumes.

关键词：慢性心衰患者收缩同步性卡维地洛心室内室间放射性核素心室造影左心室容量最大耐受剂量时相分析正常人群