简介：TwoseriesofterritremBanalogues(10a-10cand18)havebeendesignedandsynthesizedfromjujubogenin5awhichwaspreparedfromjujubogeninglycosides5bobtainedfromtheleavesofZizyphusjujuba.Thestructuresofthenewcompoundswereconfirmedby1H-,13C-NMRandMSdata.Compounds10cand18showedweakinhibitoryeffectonAChEat10^-4mol/E.
简介：Thesynthesisofanewtypeofhetero-macrocyclicpolyether2,3-henzo-1,4,7,13-tetraoxa-10-selenacyclopentadeca-2-eneisdeseribed.
简介：ＳＹＮＴＨＥＳＩＳＡＮＤＡＮＴＩ－ＨＵＭＡＮＩＭＭＵＮＯＤＥＦＩＣＩＥＮＣＹＶＩＲＵＳ－１（ＨＩＶ－１）ＡＣＴＩＶＩＴＹＯＦ９－（２－ＰＨＯＳＰＨＯＮＹＬＭＥＴＨＯＸＹＥＴＨＹＬ）ＡＤＥＮＩＮＥ（１）ＡＮＤＩＴＳＲＥＧＩＯＩＳＯＭＥＲ３－（２－ＰＨＯ...
简介：在微波辐射条件下，以2-氨基-5-苯并呋喃基-1，3，4-噻二唑和N．取代三氯乙酰苯胺为原料，在固体氢氧化钠作用下，“一锅法”高产率合成了10种N-（5-苯并呋喃基-1，3，4-噻二唑-2-基）-NL芳基脲，并通过IR、^1HNMR和元素分析表征了目标产物的结构．
简介：采用荧光光谱法研究了水溶液中四溴荧光素、四氯四溴荧光素、二碘荧光素、乙基罗丹明B、健那绿B等5种荧光染料探针与牛血清白蛋白（BSA）的相互作用.实验表明,这5种染料探针同牛血清白蛋白结合时,疏水作用力起决定性作用,静电力起次要作用,相比之下牛血清白蛋白（BSA）结合阴离子的能力最强,其次为中性分子,最后为阳离子.通过疏水作用力,5种染料均是以非极性苯基进入BSA疏水性腔体中同色氨酸残基发生作用,弱氢键的形成加强了这种作用力,且使得光谱间能量转移效率明显提高.5种染料探针的极性部位由于极性和空间效应的原因难以进入腔体内部,致使反应均按接近1∶1的方式进行.
简介：Thenovelcomplex[K(18-C-6)]2[Cd(mnt)2][18-C-6-18-crown-6,nmt=1,2-dicyanoethene-1,2-dithiolate,C2S2-(CN)2^2-]wassynthesizedandcharacterizedbyelementalanalysis,IRspectrumandX-raydiffractionanalysis.Thecomplexdisplaystwo-dimensionalnetworkstructureof[K(18-C-6)]complexsegmentsand[Cd(nmt)2]complexsegmentbridgedbyS-K-S,S-K-NandN-K-Ninteractionsbetweenadjacent[K(18-C-6)]and[Cd(mnt)2]units.
简介：AbinitiomolecularorbitalcalculationsofdoublynegativechargedB16H162-(D2)andneutralB16H16(Td)havebeendoneattheHF/6-31Glevel.TheyarepredictedtobechemicallyandkineticallystablebyvibrationalanalysesontheirrespectiveenergyhypersurfaceoftheHF/6-31Glevel.ThegeometricalstructureofthespeciesB16H1622-(D2)wasdiscussed.
简介：用Co2（CO）8与CH3CSNH2反应制得产物Ⅰ，又用Na2Fe（CO）4与Ⅰ反应制得产物Ⅱ（Ⅰ：Co3（μ3－S）（CO）7（CH3CSNH），Ⅱ：Co2Fe（μ3-S）（CO）7（CH3CSNH）．通过元素分析。IR、UV、1HNMR、MS表征并用X射线衍射法测得Ⅱ的单晶结构.该簇合物属三斜晶系、PT空间群，晶胞参数：a=0．9203（1），b=1．1296（2），c=1.1425（2）nm；α=116．40°（2），β＝101．92°（2），γ＝92．58°（1）；z＝2，V=1．2162nm3，Dc＝1．698cm3，μ＝21．89cm-1.结构分析表明，Co2FeS构三角锥分子骨架，所有CO均为端基配体，S1为面桥基配体，CH3CSNH为双齿配体，与Co、Fe形成五元环结构．
简介：综合运用密度泛函理论、分子力学、统计学及比较分子力场分析等方法研究了抗肿瘤药物5,8-二甲基乙酰紫草素衍生物的二维（2D）、三维（3D）定量构效关系（QSAR）.所建最优2D-QSAR方程的交叉验证系数（q^2）和拟合相关系数（R^2）分别为0.618和0.736.CoMFA模型的q^2和非交叉验证系数（r^2）分别为0.703和0.982,预测相关系数R^2pred为0.746.结果表明,所建立的2D/3D-QSAR模型都具有良好的统计学意义及合理、可信的预报能力,可以预测未知化合物的活性。基于此研究结果,设计了4个具有较高抗肿瘤活性的新化合物.
简介：
简介：Anovelaciddyeacidwassynthesizedbythecondensationreactionbetweenbromamineacidand2-amino-6-nitrobenzothiazoleanditsanti-UVprotectionpropertieswereevaluated.Theresultsshowedthatsilkdyedwiththisdyehadverygoodultravioletradiationprotectioncapabilityandexcellentdyeingperformance.TheUV-absorptionmechanismofthisdyewasalsodiscussed.
简介：ThreeC2-symmetric(10R,11R)-diethylsubstituteddibenzosuberane(DBS)-basedheliceneswithvaryingstericandconjugationdemandsoftheirbottomfragmentsweresynthesized.Onlythehelicene-7a[withthebottompartderivedfromtetralonewasfoundphoto-switchableinreasonabletimescale.Photoisomerizationofthediastereomericallypure(10R,11R,P)-helicene(7a)at280nmledtovirtuallyexclusiveformationoftheoppositeMform-diastereomer7a′(7a′/7a=99.6/0.4).Thepreferentialreturnof7a′to7acanbeeffecteduponirradiationat254nm(7a′/7a=3G/67)orthermallyat1307a′/7a=0/100).Thephoto-inducedswitchingprocessamountstoa133%differenceind.e.(from99.2%to-34%).TheconcomitantchangeofhelicenechiralitybetweenthesetwodiastereomericphotostationarystatesaugurswellfortheirpotentialapplicationasanopticalswitchinLCmaterials.Toourknowledge,oursystemservesasthebestchirochromicopticalswitchascomparedtotheexamplespossessingsimilarphotochromicproperties.
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