简介：运用电化学循环伏安和石英晶体微天平研究了1,4-丁二醇(1,4-BDL)在Pt电极及以Sb和S吸附原子修饰的Pt(Pt/Sbad和Pt/Sad)电极上的吸附和氧化过程.结果表明,1,4-丁二醇的氧化与电极表面氧物种有着极其密切的关系,表面质量变化提供了吸附原子电催化作用的新数据.Pt电极表面Sb吸附原子能在较低的电位下吸附氧,可显著提高1,4-丁二醇电催化氧化活性.与Pt电极相比,1,4-丁二醇在饱和吸附Sb原子的Pt电极上氧化的峰电位负移了0.20V,峰电流增加了1.5倍.相反,Pt电极表面S吸附原子的氧化会消耗表面氧物种,饱和吸附的S原子抑制了1,4-丁二醇的氧化.
简介：Aseriesofbenzo-fusedheteroaromaticcompoundswith5-,6-and7-memberedtings,suchasbenzimidazole,quinoxalineand1H-1,5-benzodiazepinederivatives,weresynthesizedthroughcondensationreactionofo-pheny1-enediaminewithary1aldehydesorketones.Theexperimentalconditionswerecarefullyexamined,andtheproductswerecharacterizedby^1HNMR,^13CNMR,MS,IRandelementalanalyses.Inaddition,thestructureofabenzodiazaepinederivativewith7-memberedringwasconfirmedbysinglecrystalX-raydiffractionanalysis.
简介：Refluxingcalix[4]-1,3-substitutedbenzaldehydederivative(4)withglycinehydrazidederivative,weobtainedanovelcalix[4]arenehydrazonederivative(5)via'1+2'condensationinayieldof78%.Inthereactionofcompound4withL-leucinehydrazidederivativeatroomtemperature,lariatcalix[4]-1,3-aza-crown(6)withchiralaminoacidgroupasbranchedchainwassynthesizedvia'1+1'additioninayieldof70%.Thepreliminaryextractionexperimentssuggestedthathostingcompounds5and6possessedgoodcomplexationabilitiesforα-aminoacids.
简介：应用分子力学、半经验量子化学RM1方法优化了32个抗野生型HIV-1病毒毒株的二芳基嘧啶类（DAPYs）化合物分子结构，从分子构象模型中提取了多种参数并结合疏水性参数与指示性参数建立QSAR多元线性回归方程．回归方程显示：分子体积V的增大会降低其抑制活性，而左苯环与嘧啶环间二面角日增大可以提高抑制活性．同时指示性参数工表明左苯环CN基团加入可以明显增加抑制活性，嘧啶环上R1位置苯基与硝基的加入可以极大降低抑制活性．
简介：Thetitlecomplexi-C4H9Co（salen）（Py）（Py=pyridine.salen=dianionofdisalicylideneethylenediamine）hasbeenfirstsynthesized.ItscrystalstructurehasbeendeterminedbyX-raydiffractionmethod.ThecrystsisaremonoclinicwithspacegroupP21/C.Theunitcellparametesarepresented.ThestructurehasbeenrefinedtoafinalRof0.038.
简介：研究了考虑溶剂效应后2,1,3-苯并噻二唑衍生物中S原子被CH2—、O—和NH—取代引起的电子性质和光谱性质的变化,结果表明,与母体分子相比,O—取代引起的最高占据轨道能量(EHOMO)和最低空轨道能量(ELUMO)的变化很小,而CH2—和NH—取代引起的EHOMO和ELUMO的变化较明显,且CH2—和NH—取代后分子EHOMO的变化小于ELUMO的变化.CH2—取代导致最大吸收波长(λabs)和最大发射波长(λem)明显红移,而O—和NH—取代导致λabs和λem明显蓝移;而且取代后分子的吸收和发射光谱的振子强度都增大.
简介：Thecrystalstructureofthetitlecomplex{[Co(TCB)2/2-(IMI)2(H2O)2][Co(IMI)4(H2O)2]}(H2O)4(whereTCB=1,2,4,5-benzenetetracarboxylicanion;IMI=imidazole)hasbeendeterminedbyX-raydiffractionmethod.Crystaldatafor{[Co(TCB)2/2(IMI)2(H2O)2][Co(IMI)4(H2O)2]}-(H2O)4:triclinic,spacegroupP1,a=1.0647(2)nm,b=1.1165(1)nm,c=1.00361(1)nm,α=91.56(1)°,β=111.34(1)°,γ=115.642(10)°,V=0.9772(3)nm5,Z=1.Thepolymercobalt(II)complexhasanovelthree-dimensionnetworkstructure.Co(1)atomandCo(2)atombotharecoordinatedinanoctahedralarrangementandlocatedinthecenterofthecoordinationanionandthecenterofthecoordinationcation,respectively.MoreoverfourcarboxylgroupsofTCBaredividedintotwotypes,twopara-carboxylgroupsbridgeCo(1)atominmonodentatefashionandothertwopara-carboxylgroupsareinfree.
简介：Aseriesof2’-purineandpyrimidinederivativesof1’,4’-anhy-dro-2’-deoxy-D-arabitol(1)and1’,4’-anhydro-2’-deoxy-D-altritol(2)weresynthesizedregio-andstereo-selectivelyfromD-sorbitolthroughsomeconversioninhighyields.
简介：Thefluorescencequenchingofnaphthalene(2)and1,3-di(α-naphthyl)propane(1)byRNAandbasesinmethanol-water(v:v=1:1)binarysolventsinthepresenceorabsenceofcyclodex-trin(CD)hasbeeninvestigated.Theresultsshowthatboththemonomerandexcimerfluorescenceof1canbequenchedbythesequenchers.Thequenchingandratesdependonthequencherandtem-perature.Itisshownthatthereisacriticaltemperature(Tc)foreachquencher.BelowTc,theexcimerfluorescencespectrashowvibrationalstructuresandtheStern-Volmerplotsarestraightlines(forura-cilandcytosine);whileabovetheTc,thevibrationalstructuresdisappearandtheStern-Volmerplotsdeviatefromlinearityandcurveupward.Theformerisastaticprocess;whilethelatterisamixtureofbothstaticanddynamicprocesses.Theadditionofα-CDhasnoeffectonthefinestructure,whereasβ-CDpreventstheappearanceofthisstructureefficiently.Thequenchingratesbothforthemonomerandexcimerof1bybasesexceptcytosineinthepresenceofβ-CDatambienttemperaturearenotchanged;thequenchingoffluorescenceof1byRNAinthepresenceofβ-CD,however,ishindered.Time-resolvedfluorescencestudyshowsthattheexcimerfinestructuresappearfromthezerotime.Theintensityoffinestructuresdependonthefractionofwater(φ)inbinarysolvents,anditisindependentofthepHvalueofthesolvents.ItissuggestedthatbasesandRNAinducedaggregates(perhapsmicrocrystal)areformed,inwhichthemotionofmolecules1islimited.
简介：Benzodiazepineandbenzothiazepinederivativeshavebeenwellknownastherapeuticallyimportantcompounds.Fournewtricyclicheterocycliccompounds,3a,4,5,11-tetrahydro-3H-1,2,4-triazolo[4,3-d][1,5]benzothiazepines(3),3a,4,5,11-tetrahydro-3H,6H-1,2,4-triazolo[4,3-d][1,5]benzodiazepine(4),3a,4,5,11-tetrahydro-1,2,4-oxadiazolo[4,5-d][1,5]benzothiazepines(5,6)and3a,4,5,11-tetrahydro-6H-1,2,4-oxadiazolo[4,5-d][1,5]benzodiazepines(7,8),havebeensynthesizedby1,3-dipolarcycloadditionreactionsof2,3-dihydro-1,5-benzothiazepinesand2,3-dihydro-1H-1,5-benzodiazepinewithbenzonitrileN-phenylimineandbenzonitrileoxides,respectively.Theconformationsofsomecycloadductsandcycloadditionmechanismaredescribed.
简介：Anovelseriesofpyrido[1,2-e]purin-4(3H)-onederivativescontainingpolarsubstituentson5'-positionweredesignedandpreparedaspotentialPDE5inhibitors.Thispaperreportsthesyntheticroutes,1H-NMRdata,andthePDE5inhibitoryactivitiesofthetargetcompounds.Thepolarpiperazinylgroupcontained(on5'-position)compound,3B2,showedthehighestactivityamongthetestedderivativesbutlesspotencythansildenafil1.
简介：利用PCR以实验室构建的原核重组表达质粒pProEX-OCIF为模板扩增得到N末端融合有6×His标签和rTEV蛋白酶识别序列的人破骨细胞形成抑制因子(OsteoclastogenesisInhibitoryFactor,简称OCIF)结构域D1～D6(简称OCIFm)编码基因片段;将其与pMD18-T连接,转化大肠杆菌TOP10,筛选得到阳性重组质粒pMD18-OCIFm,双酶切重组克隆质粒pMD18-OCIFm得到OCIFm基因片段;将其定向插入甲醇营养型酵母分泌表达载体pPIC9中,构建获得重组表达质粒pPIC9-OCIFm.测序验证后,以限制性内切酶SalⅠ线化,电穿孔转化酵母宿主菌GS115.筛选得到阳性表达菌株后,甲醇诱导表达4d,SDS-PAGE和Westernblot对表达情况进行分析和确认.所获得的OCIFm基因片段在甲醇营养型酵母中表达量占菌体总蛋白的30%以上.利用Ni-NTA树脂对表达产物进行一步亲和层析纯化.活性测定表明纯化的表达产物可诱导体外培养的成熟破骨细胞样细胞的凋亡.表达产物的生物学活性较利用原核表达系统明显提高.
简介：RemanspectroscopyisusedasatooltomonitorthereactionbetweenN,N’-di（pmethyl）monothioxamidesand1,3-diaminetrimethyleneandtodetectthereactionintermediate.Byobservingchangesof1024cm-1C=Sbandandappearanceofanewbendataround1720cm-1,thereactionmechanismisdiscussed.
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