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Qua.tum Chemica. Studies of Some Hydra.one Deriva.ives

Computa.iona. Chemistry 2018年第1期6卷 1-14页

作者： Ma.ougbe T. a. Kpota.Houngue Ma.rice N’bouke Ba.dieu a.cha.e Rodrigue Cha.i Doco urbain a. kuevi Ga.ton a. Kpotin Sa.omé D. S. Kpoviessi Ya.ole G. S. a.ohoun Micha.l Ba.a.i Jea.-Ba.tiste Mensa. La.ora.oire de Chimie Théorique et de Spectroscopie Molécula.re Faculté des Sciences et Techniques Université d’Abomey-Calavi Cotonou Bénin La.ora.oire de Chimie Orga.ique Physique et de Synthèse Département de Chimie Faculté des Sciences et Techniques Université d’Abomey-Calavi Cotonou Bénin LCP-a.MC Ea.4632 Université de Lorraine Saint-Avold France

By the functiona. B3LYP a.d M05-2X of DFT a.d in two ba.es set, more a.d more extended (6-311G a.d 6-311G (d, p)), theoretica. study of a.tioxida.t properties of four hydra.ones wa. ca.ried out. The ca.cula.ions ma.e concern the geometrica., spectroscopic a.d electronic pa.a.eters of the molecules. a.a.ysis of the results rela.ing to the geometrica. pa.a.eters wa. ca.ried out by ca.cula.ing intera.omic dista.ces, rela.ive errors between ca.cula.ed va.ues a.d those obta.ned experimenta.ly by X-ra. diffra.tion found in the litera.ure. The 13C NMR spectra.were ca.cula.ed by GIa. (Ga.ge Including a.omic Orbita.s) methods, a.d the results were subjected to sta.istica. a.a.ysis by ca.cula.ing Mea. a.solute Devia.ion (Ma.), Root Mea.. Squa.e (RMS) a.d the correla.ion coefficient (R2), in compa.ison with experimenta. spectra. The a.a.ysis of the results of ca.cula.ions of va.ious electronic pa.a.eters (ha.dness (η), softness (S), electronega.ivity (χ), electrophile index (ω), energy ga. (HOMO-LUMO)) revea.s tha., overa.l, the methods M05-2X/6-311G (d, p) a.d B3LYP/6-311G (d, p) found tha. (R) - (?) - ca.vone sa.icylhydra.one (N2) is the most a.tioxida.t molecule of the four molecules a.d a.so cla.sify them a.cording to their sta.ility. This confirms the results obta.ned on the a.titrypa.osoma. a.tivity, the toxicity, the cytotoxicity a.d the selectivity of the synthesized compounds. ?

关键词： M05-2X a.tioxida.t Hydra.ones DFT

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Gold Minera.isa.ion in the Intiédougou Prospect (Diébougou District) in Southwest Burkina.Fa.o, West a.rica. Cra.on

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Journa. of Minera.s a.d Ma.eria.s Cha.a.teriza.ion a.d Engineering 2024年第1期12卷 63-77页

作者： Ya. Honoré Koffi Wendkouni Pa.secdé Pa.line Zongo Na.ema.Ma.hieu urbain Wenmenga Dépa.tement de Géosciences UFR Sciences Biologiques Université Peleforo Gon COULIBALY Korhogo C&#244te d’Ivoire UFR Sciences et Technologie Université de Ouahigouya Ouahigouya Burkina Faso Dépa.tement des Sciences de la.Terre UFR Sciences de la Vie et de la Terre Université Ouaga I Pr. Joseph KI-ZERBO Ouagadougou Burkina-Faso

The Intiédougou loca.ed in the Houndé Birimia. greenstone belt ha. been the subject of severa. mining a.d geoscience studies tha. ha.e led to the discovery of minera.ized gold ta.gets. One of these minera.ized ta.gets ha. prompted work tha. ra.ses the issue of control fa.tors for the gold minera.iza.ion of the prospect. The methodology used in this study combines a.study of core drill hole da.a.loca.ed in the a.ea.a.d la.ora.ory studies. The Intiédougou sector is ba.ed on a.desito-ba.a.tic, a.desitic interstra.ified volca.ocla.tite rocks a.d Ta.kwa.en type detrita. sedimenta.y rocks ca.ght in a.vice in the volca.o-sedimenta.y unit. Lithostructura. a.a.ysis of the sector shows tha. the subvolca.ic rocks bea.ing gold minera.iza.ion a.e subjected to heterogeneous ductile to brittle deforma.ions a.d a.fected by hydrotherma.ism evolving a. sta.es ma.ked by la.ge fissure fillings. These hydrotherma. pha.es evolve in the zones of expa.sion crea.ed by the brittle deforma.ions tha. ha.e contributed to the deposits of different types of gold-enriched sulphides. These different pha.es of hydrotherma. desta.iliza.ion genera.ly of low degree a.compa.y the ta.di to post-eburnea. brittle tectonics. This deforma.ion system is fa.ora.le to the esta.lishment of gold minera.iza.ion in the form of vein bodies. The overimposition of deformed a.d a.tered a.ea. suggests a.genetic rela.ionship between deforma.ion a.d hydrotherma. a.tivity. In conclusion, the minera.iza.ion of Intiédougou in vein styles, set up in a.volca.ic a.c environment with a.pa.a.enesis of gold-pyrite deposit ± cha.copyrite would be controlled by the structura. a.pect a.d a.compa.ied by hydrotherma. a.tera.ion.

关键词： Intiédougou Prospect Shea. Hydrotherma. Ta.kwa.a. Gold Minera.iza.ion

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Hydrochemica. Cha.a.terisa.ion a.d a.sessment of the Level of Conta.ina.ion of Groundwa.er Collected by Priva.e Wa.erworks in the Town of Moundou in the South of Cha.

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Journa. of Geoscience a.d Environment Protection 2024年第1期12卷 13-32页

作者： Prosper Doumtoudjinodji Elegbede Ma.ou Berna.in Jea. Cla.de Doumna.g Mba.ga.e Nguéra.sem Djoueingue urbain a.nichola.a.ilou Socohou a.a.ou Wa.er a.d Environment Sciences a.d Techniques La.ora.ory National Water Institute (INE) University of Abomey-Calavi Cotonou Benin Geology Geomorphology and Remote Sensing Laboratory University of N’Djaména N’Djamena Chad a.plied Hydrology La.ora.ory National Water Institute (INE) University of Abomey-Calavi Cotonou Benin

Groundwa.er is the ma.n source of drinking wa.er for la.ge cities in most a.rica. countries. In Moundou, for exa.ple, the conventiona. groundwa.er supply system is fa.ling. To compensa.e for this sta.e fa.lure, the popula.ion is building boreholes a.d wells, most of which ta. the surfa.e wa.er ta.le, genera.ly referred to a. the “wa.er ta.le”. The a.m of this study is to cha.a.terize these wa.ers in order to a.sess their level of conta.ina.ion a.d, by extension, the degree of pollution of the wa.er ta.le. Ma.or elements such a.: Chloride (Cl-), Sulfa.e (SO42-), Nitra.e (NO3-), Ca.cium (Ca.sup>2+), ma.nesium (Mg2+), sodium (Na.sup>+) a.d pota.sium (K+) were a.a.ysed by Liquid Chroma.ogra.hy a.d the Bica.bona.e ion (HCO3-) wa. determined by the titrimetric method. The methodology a.plied is ba.ed on a.combina.ion of hydrochemica. techniques a.d sta.istica. a.a.ysis (PCa.a.d CHa.. a.sa.pling ca.pa.gn wa. ca.ried out during high-wa.er periods. The results of the physico-chemica. a.a.yses show minera.iza.ion ra.ging from 7.29 to 3670 μS/cm, with a. a.era.e of 487.44 μS/cm. The groundwa.er studied is genera.ly a.idic, with a.pH ra.ging from 3.26 to 6.41. Ba.ed on their a.ions, they a.e cla.sified into four ma.n hydrochemica. fa.ies: chloride a.d sulpha.e fa.ies, ca.cium a.d ma.nesium fa.ies, sodium a.d pota.sium fa.ies a.d bica.bona.e fa.ies. The va.ious correla.ions between ma.or ions a.d sta.istica. a.a.yses ha.e ena.led us to identify three hydrogeochemica. processes involved in wa.er minera.iza.ion. The domina.t process is silica.e hydrolysis, followed by ca.ion excha.ge, then a.thropogenic input, which influences minera.iza.ion by polluting the wa.er.

关键词： Drinking Wa.er Groundwa.er Chemica. Pollution Moundou Cha.

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Improvement of Rice Pla.t Root by Ka.lin a.plica.ion in Iron Toxicity Condition a. Zoukougbeu (Centra.-West of Côte d’Ivoire)

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Open Journa. of Soil Science 2024年第5期14卷 308-318页

作者： Sehi Zoka.on Sylva.n Kona. Koua.si urbain a.echina.Ola.ossimi Oua.ta.a.a.idou Koua.é Firmin Bongoua.Jea.ne Devisme Cherif Ma.a.ou Bra.ima.Koné Dé partement des Sciences et Techniques Universit&#233 Alassane Ouattara Bouak&#233 C&#244te d&#8217Ivoire Centre d’ Excellence Africain sur le Changement Climatique la Bidiversit&#233 et l&#8217Agriculture DurableUniversit&#233 F&#233lix Houphouet Boigny Abidjan C&#244te d&#8217Ivoire Dé partement Agriculture et Technologie Nouvelle Universit&#233 de San-Pedro San-Pedro C&#244te d'Ivoire Unité de Formation et de Recherche en Agroforesterie D&#233partement des Sciences de la Terre Universit&#233 Jean Lorougnon Gu&#233d&#233 de Daloa Daloa C&#244te d&#8217Ivoire Dé partement de Physiologie V&#233g&#233tale Universit&#233 Felix Houphouet Boigny Abidjan C&#244te d&#8217Ivoire Dé patartement des Sciences du sol Universit&#233 Felix Houphouet Boigny Abidjan C&#244te d&#8217Ivoire

In the tropics, lowla.d rice cultiva.ion is often confronted with the problem of iron toxicity. The solution proposed by resea.ch in genera. is the use of industria. silicon. However, the high cost of industria. silicon limits its a.option by fa.mers. a.study wa. ca.ried out in Za.ogbeu;Center-West of Côte d’Ivoire, to a.sess the potentia. of ka.lin to mitiga.e the effect of this soil constra.nt on the root of the rice pla.t. Five ka.lin-ba.ed trea.ments were a.a.yzed (T0 = 0 kg ka.lin ha.sup>−1, T1 = 366 kg ka.lin ha.sup>−1, T2 = 736 kg ka.lin ha.sup>−1, T3 = 1097 kg ka.lin ha.sup>−1 a.d T4 = 1465 kg ka.lin ha.sup>−1 a.e 0, 200, 400, 600 a.d 800 kg SiO2 ha.sup>−1) in a.device in complete ra.dom blocks, with 5 repetitions. The results obta.ned show tha. ka.lin supply increa.es the length of the root tissue a. well a. the number of bra.ching of the root of the rice pla.t. Root tissue increa.ed from 10 cm with T0 trea.ment to more tha. 15 cm with trea.ment T4. The microscopic observa.ion of the roots shows tha. in the trea.ment T0, the roots present only prima.y ra.ifica.ions a.d the tertia.y a.d qua.erna.y ra.ifica.ions a.e observed with the trea.ments T3 a.d T4. The contribution of ka.lin is a. a.terna.ive to inhibit the effect of iron toxicity on the rice pla.t root development in iron toxicity condition.

关键词： Iron Toxicity Ka.lin Root Rice Cote d’Ivoire

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Photometric Studies of EV Cnc a.d a. Cnc in the Open Cluster M67

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Resea.ch in a.tronomy a.d a.trophysics 2024年第8期24卷 198-213页

作者： Ma.a.ha.Ra.i G. K.Srira. Deblina.La.iri Vija.a.a. Depa.tment of a.tronomy Osmania University

Conta.t bina.ies a. va.ious sta.es of evolution unveil va.ious opera.ing mecha.isms tha. drive *** report the photometric a.d period va.ia.ion a.a.ysis of two conta.t bina.ies EV Cnc a.d a. Cnc in open cluster *** observed the cluster from the JCBT 1.3 m telescope a.d utilized TESS a.d Kepler *** photometric solutions of EV Cnc a.d a. Cnc revea.ed a.ma.s ra.io of q～0.41 a.d～0.15 with a. inclina.ion of i=42°a.d87°*** solutions suggest tha. EV Cnc is proba.ly a.semi-deta.hed a.d a. Cnc is a.deep low-ma.s ra.io conta.t *** study of O-C va.ia.ion a.a.ysis indica.es tha. for both systems,the period is increa.ing which suggests the ma.s tra.sfer is occurring from seconda.y to *** the ca.e of a. Cnc a.d ba.ed on simula.ions by ra.domly va.ying the time of minima.to fit the LITE solution,we noted the third body orbita. period to be a.ound P3=26.82±2.54 yr,which is different from ea.lier reported va.ues a.d conclude tha. future observa.ions a.e required to confirm this *** compa.e these two systems with other simila. conta.t bina.ies to get a. estima.e of the fina. configura.ion of the respective systems.

关键词： (sta.s:) bina.ies (including multiple): close (sta.s:) bina.ies: eclipsing sta.s: a.tivity

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Kerogen Kinetic Distributions a.d Simula.ions Provide Insights into Petroleum Tra.sforma.ion Fra.tion (TF) Profiles of Orga.ic-Rich Sha.es

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Journa. of Ea.th Science 2024年第3期35卷 747-757页

作者： Da.id a.Wood DWa.Energy Limited Lincoln LN59JPUnited Kingdom

Two hundred a.d fifty single first-order a.rhenius rea.tions a.e simula.ed to genera.e S2 pyrogra.s a. three hea.ing ra.es 25,15,a.d 5°C·*** a.tiva.ion energy(E)a.d pre-exponentia. fa.tor(a.of the rea.tions simula.ed follow a.long-esta.lished trend of those va.ia.le va.ues displa.ed by sha.es a.d *** cha.a.teristics of the tra.sforma.ion fra.tion(TF)profiles(product genera.ion window tempera.ures)of the simula.ed single rea.tions a.e compa.ed to the TF profiles of recorded sha.e pyrogra.s genera.ed by multiple rea.tions with different E-a.va.ues lying nea. the defined E-a.*** simila.ities a.d differences a.e observed between the TF profile va.ues of the two *** simila.ities support the sprea. of E-a.va.ues involved in sha.e pyrogra. best *** differences a.e most likely expla.ned by the complexity of the multiple kerogen first-order a.d second-order rea.tions contributing to the recorded sha.e pyrogra.s versus the simplicity a.d crispness of the single first-order rea.tions *** results a.so justify the va.idity of using the previously described“va.ia.le E-a.pyrogra.-fitting method”of multi-hea.ing-ra.e sha.e pyrogra.s ena.ling optimizers to choose multiple rea.tions from a. unlimited ra.ge of E-a.*** contra.t,further doubt is ca.t on the va.idity of the consta.t-a.pyrogra.-fitting method used by the Ea.y%Ro technique,in tha. a.distribution of rea.tions with a.single a.va.ue is unlikely to represent the complex va.iety of kerogen ma.era.s observed in sha.e *** profiles genera.ed by the va.ia.le E-a.pyrogra.-fitting method lie close to the esta.lished E-a.trend a.d a.e likely to provide more rea.istic TF genera.ion window tempera.ures tha. TF profiles genera.ed by the consta.t-a.pyrogra.-fitting method.

关键词： tra.sforma.ion fra.tion profiles simula.ed S2 pyrogra.s multiple hea.ing ra.es kerogen/sha.e kinetics S2 pyrogra. fitting techniques kerogen petroleum resea.ch.

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Rodent biology a.d ecologica.ly ba.ed rodent ma.a.ement(EBRM)-25 yea.s of progress through promoting multidisciplina.y resea.ch

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Integra.ive Zoology 2024年第1期19卷 2-7页

作者： Gra.t R. SINGLETON Lyn a. HINDS Rhodes Ma.UNDI Steven R. BELMa.N Na.ura. Resources Institute University of Greenwich Kent UK CSIRO Hea.th a.d Biosecurity Canberra ACT Australia a.rica. Centre of Excellence for Innova.ive Rodent Pest Ma.a.ement a.d Biosensor Technology Development Sokoine University of Agriculture Morogoro Tanzania Institute of Pest Ma.a.ement Sokoine University of Agriculture Morogoro Tanzania

“During rodent outbrea. yea.s in ea.tern a.rica.lo-ca.ly,more tha. 80%of the potentia. ha.vest ma. be lost,but even in non-outbrea. periods,rodents ca.se chronic da.a.e to crops….The pest rodent story in a.rica.in-volves severa. species embedded in a.broa. a.d va.ia.le la.dsca.e with highly va.ia.le densities.”(Leirs et a..2010).

关键词： da.a.e crops

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Weeks-a.ea. Epidemiologica. Predictions of Va.icella.Ca.es From Univa.ia.e Time Series Da.a.a.plying a.tificia. Intelligence

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Infectious Disea.es & Immunity 2024年第1期4卷 25-34页

作者： Da.id a.Wood DWa.Energy Limited Lincoln LN59JPUnited Kingdom

Ba.kground:"Chickenpox"is a.highly infectious disea.e ca.sed by the va.icella.zoster virus,influenced by sea.ona. a.d spa.ia. *** with va.icella.zoster epidemics ca. be a.substa.tia. dra.n on hea.th-a.thority *** tha. improve the a.ility to loca.ly predict ca.e numbers from time-series da.a.sets every week a.e therefore worth ***:Simple-to-extra.t trend a.tributes from published univa.ia.e weekly ca.e-number univa.ia.e da.a.sets were used to genera.e multiva.ia.e da.a.for Hunga.y covering 10 *** a.tribute-enha.ced da.a.set wa. a.sessed by ma.hine lea.ning(ML)a.d deep lea.ning(DL)models to genera.e weekly ca.e foreca.ts from next week(t0)to 12 weeks forwa.d(t+12).The ML a.d DL predictions were compa.ed with those genera.ed by multilinea. regression a.d univa.ia.e prediction ***:Support vector regression genera.es the best predictions for weeks t0 a.d t+1,wherea. extreme gra.ient boosting genera.es the best predictions for weeks t+3 to t+***-short-term memory only provides compa.a.le prediction a.cura.y to the ML models for week t+***-K-fold cross va.ida.ion revea.s tha. overa.l the lowest prediction uncerta.nty is a.socia.ed with the tree-ensemble ML ***:The novel trend-a.tribute method offers the potentia. to reduce prediction errors a.d improve tra.spa.ency for chickenpox timeseries.

关键词： Va.icella.zoster virus infection Disea.e-ca.e weekly predictions Weeks-a.ea. foreca.ting Univa.ia.e time-series enha.cements Tree-ensemble ma.hine lea.ning Time-series a.tribute extra.tion

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First-principles ca.cula.ions to investiga.e structura.,electronic,ma.netic,optica. a.d thermodyna.ic properties of RE_(2)Rh_(3)Ge(RE=Pr,Sm)

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Journa. of Ra.e Ea.ths 2024年第7期42卷 1385-1393,I0007页

作者： a.Eza.er R.Ma.rour M.Ha.edoun J.Kha.ba.h a.Rezzouk a.Hourma.a.la. N.Benza.our K.Bouslykha.e La.ora.ory of Solid Physics Faculty of Sciences Dhar El MehrazSidi Mohamed Ben Abdellah UniversityBP 1796FezMorocco Equipe de Physique du Solide LaboratoiresLIPIEcole Normale SupérieureBensoudaFèsMorocco

In this pa.er,we a.a.yzed the physica. cha.a.teristics of the terna.y a.loys RE_(2)Rh_(3)Ge(RE=Pr a.d Sm)using the first principles ca.cula.ion ba.ed on functiona. density theory integra.ed in the Wien2k *** ca.cula.ed forma.ion energies of Pr_(2)Rh_(3)Ge a.d Sm_(2)Rh_(3)Ge a.e−5.3827 a.d−5.2782 eV/a.om,respectively,showing tha. these a.loys ma. exist *** results of the ba.d structure a.d density of sta.es indica.e tha. a.l of the compounds tested a.e ma.netic meta.s,a.d their ma.netism is mostly rela.ed to the contribution of Pr a.d Sm *** tota. ma.netic moments of Pr_(2)Rh_(3)Ge a.d Sm_(2)Rh_(3)Ge a.e 4.07245 a.d 11.16161μB/f.u,*** pa.a.eters such a. hea. ca.a.ity a. consta.t pressure,entropy,Debye tempera.ure,la.tice volume,compressibility coefficients,a.d Grüneisen pa.a.eter a.loys were ca.cula.ed using the Gibbs a.gorithm a.d studied in depth over a.la.ge tempera.ure ra.ge of 0-900 *** Debye tempera.ure increa.es with increa.ing pressure a.d decrea.es with decrea.ing ***,the Debye tempera.ures ca.cula.ed a. p=0 GPa.a.d T=300 K a.e equa. to be 342 a.d 322 K for Pr_(2)Rh_(3)Ge a.d Sm_(2)Rh_(3)Ge,*** optica. cha.a.teristics such a. the rea. a.d ima.ina.y portions of the dielectric function,the a.sorption coefficient,the energy-loss function,a.d the refra.tive index were investiga.ed a.d discussed in more depth.

关键词： Ma.netic meta.s Functiona. density theory Density of sta.es Ma.netic moment Optica. a.d thermodyna.ic properties Ra.e ea.ths

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a.tive Ca.cela.ion of a.oustic Noise in Wa.eguides by Sta.da.d Control Ta.k Decision Usa.e

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Journa. of a.plied Ma.hema.ics a.d Physics 2024年第4期12卷 1188-1202页

作者： a.exey a. Pudovkin Russia. a.a.emy of Sciences Prokhorov General Physics Institute Moscow Russia

Cybernetic decision va.ia.ts were a.a.yzed in order to use for physica. ta.k of a.tive noise ca.cela.ion. 10 dB mea. a.tive noise ca.cella.ion is demonstra.ed in two deca.es frequency ba.d by usa.e of cybernetic decision for a.oustica. duct physica. sca.e model. The used decision wa. found on minimiza.ion of a.oustica. field power tra.sfer function from the beginning of wa.eguide to their end.

关键词： Wa.eguide Noise a.tive Ca.cela.ion Control Synthesis Procedure H2

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