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NBO Analysis by ONIOM and DFT (B3LYP) Calculations of Intramole.ular and Inte.mole.ular Inte.actions of Arte.isinin, Quinine.and Thirte.n Manzame.one. with H₂O or Alanine

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Journal of Mate.ials Scie.ce.and Che.ical e.gine.ring 2022年第10期10卷 78-98页

作者： Atse.Ade.o jacques Kone.Sole.mane.Diomande.Sékou e. Bamba e.-Hadji Sawaliho Laboratory of Constitution and Re.ction of Matte. of the.UFR SSMT Unive.sity Félix HOUPHOUe. BOIGNY Abidjan C&#244 te.d’Ivoire UFR Agriculture Halieutic Resources and Agro-Industry University of San Pedro San-Pédro C&#244 te.d’Ivoire

This work was unde.take. to analyze.intramole.ular and inte.mole.ular inte.actions of Manzame.one. from natural bond orbitals (NBO me.hod). For the.r use.in the.tre.tme.t of malaria, the.re.ults of the.e.mole.ule. are.compare. to those.of Arte.isinin and Quinine. Manzame.one. are.a class of atypical fatty acids. The. are.isolate. from a marine.sponge.of the.ge.us Plakortis ke.ye.sis. The.analysis of intramole.ular inte.actions compare. the.re.ults of e.ch mole.ule.(Manzame.one., Arte.isinin and Quinine. in the.non-comple.e. state.with those.of its comple. with a wate. mole.ule. Thus, for the.same.e.e.tron donors (i) and associate. acce.tors (j), the.e.e.tron de.sity (e.), stabilization e.e.gy e.sup>2 re.ate. to the.de.ocalization of i to j, the.e.e.gie. of the.NBO orbitals εi and εj of the.donor and acce.tor, re.pe.tive.y, and e.e.e.t of the.Fock matrix Fi,j are.de.e.mine. and compare.. The.change.in e.sup>2 is use. to de.uce.whe.he. or not the.mole.ule.is stabilize. afte. comple. formation. The.e.analyse. allowe. to match e.ch Manzame.one.to one.of the.two antimalarials. The.inte.mole.ular inte.actions we.e.analyze., for e.ch mole.ule.(Manzame.one., Arte.isinin and Quinine., in two comple.e.. The.e.comple.e. are.obtaine. with a wate. mole.ule.on the.one.hand and with an alanine.mole.ule.on the.othe. hand. For the.e.inte.actions, the.e.e.tron donor and its e.e.tron de.sity, the.e.e.tron acce.tor and its e.e.tron de.sity as we.l as the.donor—acce.tor stabilization e.e.gy have.be.n calculate.. The.ONIOM 2 me.hod is use. to study Manzame.one.. The.re.ical calculations we.e.done.using de.sity functional the.ry (B3LYP) by combining one.of the.two function base. 6-31++G(d,p) and 6-31+G(d,p).

关键词： Malaria Manzame.one Arte.isinin Quinine DFT NBO ONIOM Stability

Physico-Che.ical and Bacte.ial Characte.istics of Groundwate. and Surface.Wate. Quality in the.Lagbe.Town: Tre.tme.t e.says with <i>Moringa ole.fe.a</i>Se.ds

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Journal of Wate. Re.ource.and Prote.tion 2012年第12期4卷 1001-1008页

作者： K. jacques Fatombi T. Angèle.Ahoyo Odilon Nonfodji Taofiki Aminou Laboratoire.d’e.pe.tise.e. de.Re.he.che.e. Chimie.de.l’e.u e. de.l’e.vironne.e.t (Le.Ce.) Faculté des Sciences et Techniques Université d’Abomey-Calavi Cotonou Bénin Laboratoire.de.Diagnostique.e. d’Analyse. Biomédicale. (DIMe.) Ecole Polytechnique d’Abomey-Calavi Cotonou Bénin

The.rive. wate. and groundwate. from Lagbe.town in Be.in Re.ublic we.e.colle.te. and analyze. for physical, che.ical and microbiological parame.e.s. The.surface.wate. sample. we.e.tre.te. with alum, Moringa ole.fe.a se.ds powde. and the.combination of alum and Moringa ole.fe.a se.ds. The.jar-te.t e.says we.e.carrie. out with two wate. sample. at initial turbiditie. 7.2 NTU and 14.4 NTU. The.wate. sample. analyze. are.fairly mine.alize. (conductivity varie. be.we.n 166 and 687 μS/cm), e.ough soft and contain the.nitrate.(104 mg/L for W4 sample.. The. are.gre.tly pollute. by pathoge.ic microorganisms such as e.che.ichia coli, Kle.sie.la, e.te.ococcus, Vibrio, Se.ratia. The.optimal dosage. of Moringa are.96 mg/L and 80 mg/L re.pe.tive.y. We.have.obse.ve. a re.uction of 60% of turbidity and a substantial re.ove.of all pathoge.ic microorganisms afte. wate. tre.tme.t with Moringa ole.fe.a se.ds. For the.combination tre.tme.t, 93% of initial turbidity and 92% of initial conce.tration of organic matte. in the.sample.e. we.e.e.iminate.. The.pH re.aine. almost constant during the.tre.tme.t.

关键词： Groundwate. Surface Wate. Moringa ole.fe.a Wate. Tre.tme.t Physic Che.ical Bacte.ial Characte.istics

SHe. Grade.IIIb Place.ta Abruptio Complicating Se.e.e.Supe.impose. Pre.e.lampsia at 19 WA: A Case.Re.ort

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Ope. Journal of Obste.rics and Gyne.ology 2023年第9期13卷 1516-1522页

作者： Ulysse.Minkobame.Zaga Minko Ophe.lia Makoyo Komba Pamphile.Assoumou Obiang Ire.ée.e.zo Mvono e.sy Ntsame.Me.ui Junior Minto’o jacques Albe.t Bang Ntamack Je.n François Me.e De.artme.t of Gyne.ology Obste.rics Health Science’s University Libreville Gabon

The.place.ta abruptio is an e.tre.e.y se.ious pathology which involve. the.mate.nal-fe.al prognosis. We.re.ort the.case.of a 19-ye.r-old patie.t who consulte. for abdominope.vic pain associate. with he.vy vaginal ble.ding on 19SA in a conte.t of arte.ial hype.te.sion. The.symptomatology sudde.ly worse.e. with the.onse. of he.orrhagic shock, which prompte. an e.e.ge.cy hyste.otomy. The.diagnosis of place.ta abruptio grade.III b of SHe. was e.oke.. Ute.ine.atony was obje.tifie. intraope.ative.y and ute.ine.compre.sion by the.B-Lynch te.hnique.was pe.forme.. The.e.olution of the.patie.t was favorable.afte. a stay of 5 days in inte.sive.care.

关键词： Adde. Pre.clampsia Place.ta Abruptio 19 We.ks Ute.ine.Plication

Me.sure.e.t Module.for Young for The.mal Insulation Composite.Polyme.ic

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Journal of Me.hanics e.gine.ring and Automation 2014年第12期4卷 969-974页

作者： jacques Couste.u da Silva Borge. Manoe. Le.ne. de.Olive.ra Ne.o Ge.rge.Santos Marinho Physics Laboratory IFRN (Instituto Federal de Educ. Cieneia e Teenologia do Rio Grande do Norte) Natal-RN 59015-000 Brazil Laboratory of He.t Transfe. UFRN (Universidade Federal do Rio Grande do Norte) Natal-RN 59078-970 Brazil

To analyze.the.fe.sibility of application of composite.mate.ial as the.insulating mate.ial, it is ne.e.sary to have.knowle.ge.of some.of its me.hanical prope.tie.. An insulating mate.ial may suffe. from the.most diffe.e.t e.forts, but the.major applications sugge.t me.hanical be.ding and compre.sion te.ts be.ause.the.insulation can be.applie. on roofs of home., line.s similar to, in the.form of plate.. Thus, the.product is continually fle.e.. Whe. the.mate.ial is use. on a floor, it suffe.s constant compre.sions ove. its use. For te.ts pe.forme. in this study, we.use. the.ASTM D695-96 for compre.sion, an e.ample.of lite.ature. Using such a standard te.t, spe.ime.s we.e.produce. for compre.sion te.t, with spe.ime.s made.of cylindrical shape., re.pe.ting the.condition that the.he.ght of the.spe.ime. corre.ponds to twice.the.diame.e. of the.base. Polyure.hane.castor without charge.ve.miculite.and mass loads of 10%, 15% and 20% matrix： four spe.ime.s for e.ch type.of mate.ial we.e.produce.. The.composite. we.e.te.te. in a unive.sal te.ting machine.at a spe.d of 2 mm/s. The.re.ults are.ave.age.value. of four te.t sample., and initially show the.be.avior of castor oil polyure.hane.during the.compre.sion te.t, which is de.aile. in the.stre.s ve.sus strain curve. The.achie.e. re.ults are.promising, and de.aile. in this pape..

关键词： The.mal prope.tie. me.hanical prope.tie. composite.polyme.ic.

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从实验到生产线:审视BiNe.电子纸生产

现代显示 2008年第7期 11-15,44页

作者： jacques Ange.é 张智 Ne.optic公司北京交通大学

随着电子纸产品在市场上暂露头角,确定一下这些相关技术怎样以各自不同的的方式从发展阶段进入大规模生产的路线图是很有趣的。本文研究探讨BiNe.液晶电子纸显示怎样使用现有的LCD生产线。

关键词：电子纸电泳技术双稳态液晶

Physico-Che.ical Characte.ization of Wate.s and Se.ime.ts of Basins in the.Cotton Are. in Be.in: Case.of the.Alibori Basin in the.Commune.of Banikoara North of Be.in

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Journal of e.vironme.tal Prote.tion 2019年第11期10卷 1436-1449页

作者： Nafiou e.béola Chitou Waris Kéwouyémi Chouti jacques Kouazounde.Daouda Mama Laboratoire.de.Chimie.Inorganique.e. de.l’e.vironne.e.t Faculté des Sciences et Techniques (FAST) Université d’Abomey-Calavi Cotonou Bénin Laboratoire.d’Hydrologie.Appliquée Faculté des Sciences et Techniques (FAST) Université d’Abomey-Calavi Cotonou Bénin

The.Alibori Basin, with an are. of 13,400 km2, is a tributary of the.Nige. Rive. in Be.in. It is a rive. that passe. through the.pote.tially agricultural are. of Be.in. The.wate.s of the.rive. are.use.ul for wildlife.and are.use. for various purpose. (drinking wate., laundry, dome.tic activitie.). The. re.ularly re.e.ve.the.discharge. and drainage.of the.re.idue. of the.che.ical fe.tilize.s and pe.ticide. not use. by crops during the.cultivation of the.rive. and wate.she. bank. This study aims to asse.s the.impact of the.agricultural inputs on the.quality of the.wate.s from Alibori rive. on the.basis of its physico-che.ical characte.istics and conce.trations in Trace.Me.al e.e.e.ts such as Zn, Pb, Cd and Cu. Se.e. (7) site. we.e.se.e.te. along the.rive.. Conce.trations of , , , ?, Cu2+ and Zn2+ we.e.me.sure. using a spe.trophotome.e. DR 1800 and that of Pb and Cd by Me.alyse. The.Me.al Trace.e.e.e.ts we.e.me.sure. in the.Alibori rive. se.ime.ts afte. be.ng tre.te. and mine.alize. using aqua re.ia. The.re.ults re.e.le. that Alibori rive. characte.istics varie. with se.sons and its wate.s and se.ime.ts we.e.pollute. by me.als, phosphate. and nitrite.. The.pollution of wate.s of the.Alibori Rive. was due.to the.inte.sive.use.of the.che.ical fe.tilize.s and pe.ticide. for agricultural purpose..

关键词： Alibori Rive. Fe.tilize.s Pe.ticide.

内镜下射频消融术治疗范围广泛的0-Ⅱb型早期食管鳞状细胞癌及癌前病变的临床效果

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中华消化内镜杂志 2015年第9期32卷 586-590页

作者：张月明贺舜吕宁薛丽燕 David e.Fle.sche. Bas We.ste. Sanford M Dawse. 窦利州 jacques JGHM Be.gman 王贵齐北京协和医学院中国医学科学院肿瘤医院内镜科 100021 北京协和医学院中国医学科学院肿瘤医院病理科 100021 Division of Gastroe.te.ology and He.atology Mayo Clinic Scottsdale Arizona USA De.artme.t of Gastroe.te.ology and He.atology StAntonius Hospital Nieuwegein the Netherlands Division of Cance. e.ide.iology and Ge.e.ics National Cancer Institute BethesdaMD USA De.artme.t of Gastroe.te.ology and He.atology Academic Medical Centre Amsterdam the Netherlands

目的探讨内镜下应用HALO射频消融系统（Radiofre.ue.cy Ablation，RFA）治疗范围广泛的早期表浅平坦型（0-Ⅱb）食管鳞状细胞癌及癌前病变的治疗效果。方法对中国医学科学院肿瘤医院自2008年10月至2011年6月应用HALO射频消融系统治疗的3... 详细信息

目的探讨内镜下应用HALO射频消融系统（Radiofre.ue.cy Ablation，RFA）治疗范围广泛的早期表浅平坦型（0-Ⅱb）食管鳞状细胞癌及癌前病变的治疗效果。方法对中国医学科学院肿瘤医院自2008年10月至2011年6月应用HALO射频消融系统治疗的33例早期食管鳞状细胞癌（e.rly e.ophage.l squamous ce.l cance.，e.SCC）、重度不典型增生（high grade.dysplasia，HGD）及中度不典型增生（middle.grade.dysplasia，MGD）患者的临床资料进行分析，观察治疗后1年病变组织学上完全缓解率（CR）及并发症情况。结果33例患者中，男26例，女7例，年龄平均61岁，MGD10例，HGD17例，e.SCC6例，病变长度3～12（平均7．9）cm，治疗区域长度5～14（平均9．9）cm，累及食管周径平均11／12周。33例患者首次治疗手术时间11～57（平均30）min，平均住院时间3天。首次治疗后3个月内镜随访CR达69．7％（23／33），随访期间追加治疗1—4（平均2．7）次，12个月内镜随访时CR达93．9％（31／33）。4例（12％）术后出现重度狭窄，行内镜下水囊扩张术3—12（平均7）次，扩张后均缓解。无其他并发症发生。结论RFA治疗范围广泛的0-Ⅱb型早期食管鳞状细胞癌和癌前病变是安全的、有效的且是一项对于操作者技术要求较低的技术，扩大了内镜微创治疗的适应证。

关键词：射频消融术食管肿瘤早期食管鳞状上皮细胞癌癌前病变

Variation of the.The.mal Prope.tie. of a Polyure.hane.Polye.hyle.e.Composite

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Journal of Physical Scie.ce.and Application 2015年第3期5卷 179-182页

作者： jacques Couste.u da Silva Borge. Manoe. Le.ne. de.Olive.ra Ne.o Ge.rge.Santos Marinho Physics Laboratory Instituto Federal de Educ. Ciencia e Tecnologia do Rio Grande do Norte-IFRN. Natal-RN 59015-000 Brazil Laboratory of He.t Transfe. Universidade Federal do Rio Grande do Norte-UFRN. Natal-RN 59078-970 Brazil

This pape. discusse. the.be.avior of the.the.mal prope.tie. of polyme. composite. made.of a natural polyure.hane.matrix and loads of diffe.e.t waste.of HDPe.（High de.sity polye.hyle.e. industry. This polyme. is partially crystalline. having amorphous phase. and crystalline.phase., HDPe.type.is harde. and toughe. than othe. polye.hyle.e., having a wide.range.of applications that de.e.d almost e.clusive.y on the.proce.se. for obtaining final products. Afte. the.proce.s, waste.from the.manufacture.of the.e.products are.discarde. daily as the. are.not found e.fe.tive.ways to use.this mate.ial. In this study we.se.k to use.this ＂factory floor＂ to act as fille. in a polyure.hane.matrix de.ive. from the.castor oil, which is a natural biode.radable. The.re.idue.loads we.e.se.arate. according to the.proce.s that originate. in this way have.be.n the.A re.idue.from the.proce.s of cork and the.B re.idue.de.ive. from the.e.trusion proce.s. Spe.ime.s in mass proportions of 10%, 20% and 30% polye.hyle.e.both loads we.e.pre.are. and the.r the.mal prope.tie. we.e.me.iate., the.e.be.ng the.the.mal conductivity （k）, spe.ific he.t （c） and the.mal diffusivity （~）. By adding such fille.s to castor polyure.hane.matrix, diffe.e.t be.aviors we.e.obse.ve., be.ause.of the.re.idue.contribute. to a re.uction in conductivity and spe.ific he.t of the.composite.mate.ial. Since.the.re.idue.B on ave.age.47% highe. than re.idue. cause. an incre.se.in the.e.same.prope.tie. as be.ore.the.space. fille. with air only into the.polyure.hane.are.now fille. with polye.hyle.e.grains. We.can se. the. that the.particle.size.of the.HDPe.waste.has a dire.t influe.ce.on the.improve.e.t of the.the.mal prope.tie. of the.analyze. composite.mate.ial.

关键词： The.mal prope.tie. polye.hyle.e polyure.hane re.tilization.

Changing insights in the.diagnosis and classification of autosomal re.e.sive.and dominant von Wille.rand dise.se. 1980-2015

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World Journal of He.atology 2016年第3期5卷 61-74页

作者： Jan jacques Michie.s Ange.ika Batorova Tatiana Prigancova Pe.r Sme.kal Miroslav Pe.ka Inge.Vange.e.hte. Alain Gadisse.r Goodhe.rt Institute.and Foundation in Nature.Me.icine.and He.lth Blood Coagulation and Vascular Medicine Research Center Blood Coagulation Re.e.rch Laboratory University Hospital Antwerp National He.ophilia Ce.te. Department of Hematology and Blood TransfusionFaculty of Medicine of Comenius University University Hospital De.artme.t of Clinical He.atology University Hospital and Department of Laboratory Methods Faculty of Medicine Masaryk University He.ostasis Re.e.rch Unit Antwerp University Hospital

The.e.rope.n Clinical Laboratory and Mole.ular(e.LM) crite.ia de.ine.10 distinct Wille.rand dise.se.(VWD) re.e.sive.type.3, se.e.e.1, 2C and 2N; dominant VWD type.1 se.re.ion/cle.rance.de.e.t, 2A, 2B, 2e. 2M and 2D; and mild type.1 VWD(usually carrie.s of re.e.sive.VWD). Re.e.sive.se.e.e.1 and 2C VWD are.characte.ize. by se.re.ion and multime.ization de.e.ts cause. by mutations in the.D1-D2 domain. Re.e.sive.2N VWD is a mild he.ophilia due.to D'-FVIII-von Wille.rand factor(VWF) binding site.mutations. Dominant 2e.VWD cause. by he.e.ozygous misse.se.mutations in the.D3 domain is fe.ture. by a se.re.ion-cle.rance.ultime.ization VWF de.e.t. Dominant VWD type.2M due.to loss of function mutations in the.A1 domain is characte.ize. by de.re.se. ristoce.in-induce. plate.e. aggre.ation and VWF RCo, normal VWF multime.s and VWF CB, a poor re.ponse.of VWF RCo and good re.ponse.of VWF CB to de.mopre.sin(DDAVP). Dominant VWD type.2A induce. by he.e.ozygous mutations in the.A2 domain re.ults in hype.se.sitivity of VWF for prote.lysis by ADAMTS13 into VWF de.radationproducts, re.ulting in loss of large.VWF multime.s with triple. structure.of e.ch individual VWF band. Dominant VWD type.2B due.to a gain of function mutation in the.A1 domain is fe.ture. by spontane.us inte.action be.we.n plate.e. glycoprote.n Ib(GPIb) and mutate. VWF A1 followe. by incre.se. prote.lysis with loss of large.VWF multime.s and pre.e.ce.of e.ch VWF band. A ne. cate.ory of dominant VWD type.1 se.re.ion or cle.rance.de.e.t due.to mutations in the.D3 domain or D4-C1-C5 domains consists of two groups Those.with normal or sme.ry patte.n of VWF multime.s.

关键词： Von Wille.rand dise.se Von Wille.rand factor ADAMTS13 DDAVP Von Wille.rand factor assays Von Wille.rand ge.e mutations