简介：Thetitlecomplexi-C4H9Co（salen）（Py）（Py=pyridine.salen=dianionofdisalicylideneethylenediamine）hasbeenfirstsynthesized.ItscrystalstructurehasbeendeterminedbyX-raydiffractionmethod.ThecrystsisaremonoclinicwithspacegroupP21/C.Theunitcellparametesarepresented.ThestructurehasbeenrefinedtoafinalRof0.038.

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简介：Bothenantiomersoffluoxetineweresynthesizedinfivestepsfromethylbenzoylacetate(1)usingmicrobial-chemicalapproachwithoverallyieldsof59%and62%respectively.(S)-Enan-tiomercanbeobtainedin>99%e.e.byrestingcellofbaker’syeastandtheRformwasproducedin81%e.e.byimmobilizedGeotrichumsp.G38.

简介：Bothenantiomersofdenopamineweresynthesizedusingmicrobial-chemicalapproachviabioreductionof1-(acetoxyphenyl)ketone4(R=CH2C1)and5(R=CO2Et)withfungusGeotrichumsp.G38.

简介：(-)-(5R,6S)-6-Acetoxyhexadecan-5-olide1,anaturalmosquitoattractantpheromone,wassynthesizedfromreadilyavailablealdehyde2andcyclopentanone3usingL-proline-catalyzedasymmetricaldolreactionasthekeystep.

简介：SodiumdithioniteinitiatedsulfinatodehalogenationofBrCF2CF2Risstudied.

简介：6/3-(4-Chlorophenyl)-s-triazolo[3,4-b][1,3,4]thiadiazoles(2a-e)and(5a-e)weresynthesizedrespectivelybyintermolecularcyclizationof5-aryl/4-chlorophenyl-4-amino-3-mercapto-1,2,4-triazoles(1a-e)and(4)with4-chlorobenzoicacid/arylacids,whichwerecondensedwithpiperazineunderphasetransfercatalystTBABtoyieldthecorrespondingfreebasesofmonopiperazinederivativesandfollowedtoformwater-solublesalts(3a-e)and(6a-e)withhydrochloricacidingoodyields.Theinvitrobiologicalresultsshowedthatpiperazinegroupconjugatedwiththeabovefusedheterocyclesplayedanimportantroleinantibacterialactivity.ThestructuresofnovelcompoundswereconfirmedbyIR,1HNMR,MSandelementalanalysis.

简介：本文报导了作者们编制的分子波函数绘图程序JDPLOT,利用该程序可绘制各类原子轨道、分子轨道、轨道电子密度截面等值图,以及它们的截面立体透视图。文中给出了简单示例。

简介：为提高小样本定量构效关系（QSAR）预测精度，基于支持向量机全局核函数与局部核函数提出了一种新的建模方法：先依不同核函数筛选描述符，再依保留描述符构建支持向量机回归（SVR）子模型．子模型预测活性值与实验值组成混合样本．以均方误差（MSE）最小为原则，对混合样本再次基于SVR实施核函数寻优与子模型筛选，基于最优核函数和保留子模型以留一法完成预测．对2个小样本体系的QSAR研究表明，该方法兼具局部核函数和全局核函数的优点，既有较强的学习能力，又有较好的推广能力，预测精度高，稳定性好．

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简介：FiveC3/C3fluoroquinolonedimerstetheredwithafusedheterocyclicringofs-triazolo[2,1-b][1,3,4]thiadiazolederivedfromantibacterialquinolonesweresynthesizedandcharacterized,andtheirinvitroantitumoractivityagainstL1210,CHOcelllineswasevaluatedviatherespectiveIC50values.

简介：神经生长禁止的因素(GIF)，metallothionein家庭的一个成员(metallothionein-3，MT3)，由它的不同神经生长众所周知禁止的活动，它没被另外的MTisoforms显示出。到现在为止，然而，人们仍然不清楚地知道GIF怎么施加它的生物功能。因为GIF力量用作没有scavenger，这被报导了并且与锌的版本有关，我们的学习被与没有施主的SNOCa类型学习人的GIF和人的MT1g的反应集中于GIF和号码的相互作用，GIF是比向SNOC的MT-1g更反应的，这被发现。为了进一步弄明白，如果在这反应的GIF的高反应源于酸硷的催化作用，几异种被构造：E23K，E41G/E43A，E23K/E41G/E43A。由向SNOC学习他们的基本性质和反应，GIF的S-nitrosylation与酸硷的催化作用有关，这被发现不仅，而且到metal-thiolate簇的可接近性。

简介：AhighlyefficienttotalsynthesisofS-(+)-tylophorinehasbeenaccomplishedinfullyasymmetricfashion.

简介：AseriesofdoubleperovskitesRSrMnFeO_6(R=La,Pr,Nd,Sm)wassynthesizedundermildhydrothermalconditions.Crystalgrowthsofthesamplesweresensitivetoalkalinity,temperature,fillingfraction,andcompositionofinitialreactionmixture.ThedesiredseriesofcompoundsbelongstotheclassofAA'BB'O_6perovskiteswitharandomdistributionofMnandFeatomsovertheB-cationsub-lattice.TheirstructuresshowthedistortedorthorhombicsymmetrywithspacegroupPnma.TheshapesandsizesofthecrystalswereanalyzedonaRigakuJSM-6700Fbyscanningelectronmicroscopy.AnalysisdonebyXPS,MssbauerspectroscopyandiodometrictitrationrevealsthatMnandFeionshave+4and+3oxidationstates,respectively.

简介：给出了使用ＧＡＵＳＳＩＡＮ程序中密度泛函理论方法进行量子化学计算时遇到的一类问题－六氟锗乙烷分子Ｆ３Ｇｅ－ＧｅＦ３的基态构型随计算积分精度不同而改变，即ＧＡＵＳＳＩＡＮ程序中计算积分精度对计算结果产生重要影响的一个例子。

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简介：INthepreviouspapersoftheauthor’s,theelementaryreactionoperatorconcerningpointgroupwasdiscussed.Inthispaper,morecomplexreactionoperatorswillbeanalysed.Byusingtheskillinreactionoperator,theelectrocyclicandcy-cloadditionreactionsareillustrated.

简介：Baker'syeastmediatedreductionofopticallyactivediketoneisdescribed.Thetwoketogroupsareefficientlydifferentiatedandtheeevalueoftherecoveredmaterialisconsiderablyraised.Itaffordshighlyopticallyactivekeyintermediatesefficientlyforthesynthesisofnaturalpolyhydroxylatedagarofuranproducts.

简介：NaphtholgreenBwasused,forthefirsttime,asanewmediatorinanamperometricglucosebiosensor.Itisagoodmediator,promotingelectrontransferfromglucoseoxidasetographiteelectrode.Thebiosensorshowshighsensitivitytoglucoseatlowpotentialwithresponsetimeof30seconds.Thelinearrangeisfrom1.5to18μmol/Lglucosewithdetectionlimitof0.5μmol/Lglucose.

简介：给出了使用GAUSSIAN程序中密度泛函理论方法进行量子化学计算时遇到的一类问题———六氟锗乙烷分子F3Ge—GeF3的基态构型随计算积分精度不同而改变,即GAUSSIAN程序中计算积分精度对计算结果产生重要影响的一个例子.更多还原