简介：cytosine的tautomers和相关含水的tautomers上的AbinitioMP2和DFT研究被执行了。cytosine和相关转变状态的四tautomers的地面状态结构充分被优化。震动的频率分析在所有优化结构上被执行。详细内在的反应坐标(IRC)计算被执行保证被连接到相关tautomers的优化转变状态结构。我们为cytosine的tautomers和相关含水的tautomers获得了相对稳定性顺序。在里面孤立并且含水的条件，C(2)O(7)的契约类型和C(4)N(8)极大地影响cytosinetautomers的稳定性。而且，我们在在keto和cytosinetautomers的enol形式之间的intramolecular质子转移上探索了水分子的影响。第一个水分子显然减少为monohydratedcytosinetautomers的异构化激活精力。第二和第三个水分子什么时候在反应环被增加，被显示出异构化精力障碍仅仅有点变化。溶剂效果在孤立的cytosine的质子转移障碍上有明显的影响。然而，溶剂效果似乎为monohydrated，dihydrated和trihydratedcytosine的异构化精力障碍不足道。在这些建筑群的水分子能被看作明确的水。因此，明确的水模型可能是更可信的探索intramolecular质子转移，与是含蓄的水模型的PCM比较。

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简介：Poly(N-vinyl-2-pyrrolidone)(PVP)-stabilizedrutheniumnanorodswithhighaspectratiobyrefluxingruthenium(Ⅲ)chlorideinn-propanolhavebeensuccessfullypreparedbymeansofafacileandrapidmicrowaveheatingforthefirsttime.Thestructureandmorphologyoftheobtainedproductswerecharacterizedbytransmissionelectronmicroscopy(TEM),selectareaelectrondiffraction(SAED),ultraviolet-visiblespectrophotometry(UV-vis),X-rayphotoelectronspectroscopy(XPS)andFouriertransformspectroscopy(FT-IR).XPSanalysisrevealsthatthenanorodswereinthemetallicstate.TEMimagesshowedthatrutheniumnanorodshadanobviousone-dimensionalstructurewiththeaspectratiorangedfrom5to40nmandlengthupto600nm.SAEDpatternsindicatedthatthenanorodsweresingle-crystallinewithahexagonalstructure.

简介：Aconvenient,environmentallybenign,andhighlyefficientprotocolforthepreparationofN-aryl-hydroxylaminesfromthecorrespondingnitroarenesinaZn/HCOONH4/CH3CNsystemunderultrasoundisdescribed.Theadvantagesofthepresentmethodincludehighchemoselectivity,simpleandpracticalwork-upprocedureandhighyield.

简介：FlavonolswereextractedfromAcanthopanaxSenticosusHarmsbySoxhletextraction(SE),atmosphericpressuremicrowave-assistedextraction(AMAE)andpressurizedmicrowave-assistedextraction(PMAE).Theinfluencesofexperimentalconditions,suchasconcentrationofethanolintheeluent,microwaveirradiationtime,etc.ontheextractionyieldwerestudied.Fourflavonols(hyperin,rutin,quercitrinandquercetin)intheextractsweredeterminedquantitativelybyHPLCmethod.TheexperimentalresultsdemonstratetheadvantagesofPMAEandAMAEoverthoseofconventionalSE,thatistheextractiontimeisdramaticallyreduced,andtheyieldsofflavonolsareeffectiveimproved.AlthoughtheyieldofflavonolsishigherandtheextractiontimeisshorterbyPMAEthanthoseofAMAE,flavonolsareeasytobedecomposedoveracertaintime.

简介：极其细小磨擦非结晶的合金催化剂被化学减小与KBH4准备。在在气压的cinnamaldehyde的液体阶段加氢期间，Ru-B催化剂准备了展出优秀选择到cinnamyl酒精。当加氢与超声的照耀被执行时，当到cinnamyl酒精的选择仍然保持几乎未改变时，反应率能极大地被提高。加氢率随超声的频率或照耀时间的增加被增加。根据各种各样的描述，例如XRD，XPS，TEM，赌注和ICP，结构、电子的特征上的超声的照耀的效果磨擦催化剂简短被学习。同时，催化表演上的ultrasonication的提升效果也基于cinnamaldehyde的选择加氢被讨论到cinnamyl酒精。

简介：采用油的酸的一条简单solvothermal途径被开发了与不同形状准备锐钛矿TiO2nanocrystals，它被从0～0.5mmol增加NaF的数量从nanorods调节到nano椭圆体，并且光乐队差距因此从3.47eV减少了到3.29eV。不管多么当氟化物被改变到NH4F，结果的TiO2nanocrystals拥有了一个锐钛矿阶段，但是由小尺寸的nanocrystals组成并且nanorods，和乐队差距被增加到3.53eV。X光检查光电子光谱学(XPS)结果与NaF的增加的数量说明了氟的符号内容的增加为形状和光乐队的变化的报道能TiO2nanocrystals豁开。而且，氟的符号内容的缺席引起了形状的更少的变化，产品的光乐队差距的增加面对NH4F。这结果可以提供另一个方法与氟化物的帮助改变形状和金属氧化物nanocrystals的乐队差距。

简介：为新奇分子的clefts的合成的一个快速、安全、有效的方法基于deoxycholic被报导。七新分子的clefts在好收益被综合了(8998%)。这个方法证明了极其简单、高度有效。这些受体的结构被1HNMR，红外，MS系列和元素的分析证实。

简介：Shortpeptidesbasedonthetripeptides,Leu-Arg-ProandLeu-Lys-Pro,weresynthesizedbymicrowaveassistedsolid-phasesynthesismethod,inordertomakeasearchforpotentialinhibitorsforangiotensinI-convertingenzyme(ACE)withminimumsideeffectsinthetreatmentofhypertension.OnepeptidewiththesequenceLeu-Arg-Pro-Phe-PheshowsthestrongestinhibitiontowardsACEwithanIC50valueof0.26μmol/Linvitro.Thestudyofstructure-activityrelationshipshowsthattheintroductionofabulkygroupintotheN-terminalofthisseriesofinhibitorsmayenlargesterichindrance,resultinginthepoorinhibitoryactivitytowardsACE.TheinhibitoryactivitydecreasedinturnwhenL-Pro,D-ProorAc6cwasattheC-terminalrespectively.ThebindinginteractionbetweeneachoftheseinhibitorsandtesticularACE(tACE)wasperformedbymoleculardocking.TheresultssuggestthatLeu-Arg-Pro-Phe-PhemainlyoccupiedtheS1subsiteoftACE,andmadecontactwithtACEviasevenH-bonds.ItappearedthatthesiteonthepeptidethatboundwithtACEwasinfluencedbytheconfigurationoftheaminoacid,LorD-form,attheC-terminalofthepeptide.

简介：这份报告描述了能够基于调停toehold的海滨排水量反应(toehold-SDR)和microbead俘获技术的联合在正常温度检测单个核苷酸多型性的一个免费酶、方便、便宜的genotyping生物传感器。生物传感器由一根记者探针和一根俘获探针形成的pre-hybridized海滨组成。面对一个变异的序列，没有调停toehold的海滨排水量，记者探查不能被免除pre-hybridized海滨。Microbeads俘获荧光灯通过biotin-streptavidin相互作用的pre-hybridized海滨microbeads给出重要荧光信号，当在答案没有荧光时。面对一个匹配的目标，然而，海滨排水量有效地被开始，记者探查被免除pre-hybridized海滨。在增加microbeads以后，解决方案生产明亮的荧光，当时microbeads没有明显的信号。遗传型根据答案的荧光紧张方便地被识别。方法提供简单、便宜的策略检测点变化。而且，这个生物传感器在1-40 的范围显示出线性关系；nmol/L和活动范围0.3 的察觉限制；nmol/L。

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简介：Wehavesuccessfullydemonstratedthathighqualityandhighdielectricconstantlayerscanbefabricatedbylowtemperaturephoto-inducedor-assistedprocessing.Ta2O5andZrO2havebeendepositedatt＜400℃bymeansofaUVphoto-CVDtechniqueandHfO2byphoto-assistedsol-gelprocessingwiththeaidofexcimerlamps.TheUVannealingofas-grownlayerswasfoundtosignificantlyimprovetheirelectricalproperties.Lowleakagecurrentdensitiesontheorderof10-8A/cm2at1MV/cmfordepositedultrathinTa2O5filmsandca.10-6A/cm2forthephoto-CVDZrO2layersandphoto-irradiatedsol-gelHfO2layershavebeenreadilyachieved.TheimprovementintheleakagepropertiesoftheselayersisattributedtotheUV-generatedactiveoxygenspeciesO(1D)whichstronglyoxidizeanysuboxidestoformmorestoichiometricoxidesonremovingcertaindefects,oxygenvacanciesandimpuritiespresentintheas-preparedlayers.Thephoto-CVDTa2O5filmsdepositedacross10.16-cmSiwafersexhibitahighthicknessuniformitywithavariationoflessthan±2.0%beingobtainedforultrathinca.10nmthickfilms.Thelamptechnologycaninprinciplebeextendedtolargerareawafers,providingapromisinglowtemperatureroutetothefabricationofarangeofhighqualitythinfilmsforfutureULSItechnology.