学科分类
/ 6
104 个结果
  • 简介:新奇pyridopyrazolopyrimidinone衍生物作为潜在的PDE5禁止者被设计并且综合。目标混合物比sildenafil对人的血小板PDE5,而是更少的有势力表明了重要禁止的活动。

  • 标签: 衍生物 高分子化学 合成方法 化合物 化学活性
  • 简介:借助密度泛函理论,用B3LYP和BP86方法,对一系列潜在的新型高能密度材料分子H2N5MN5H2(M=Be,Mg,Ca,Zn,和Cd)进行了理论预测研究.结果表明,这些材料分子都非常稳定,不容易分解,其中H2N5MN5H2最稳定.金属离子的配位作用对化合物的稳定起了重要作用.配体H2N5也因从金属M获得一个电子变成H2N^-离子而变得更稳定.

  • 标签: 高能密度材料 密度泛函理论 稳定性
  • 简介:Theapplicationof5'-nitrosalicylfluorone(5'-NSF)-molybdenum(Ⅵ)complexasaspectroscopicprobewasstudied.InthebuffermediumofHOAc-NaOAcat3.45andinthepresenceofPVA124microemulsion,5'-NSF-Mo(Ⅵ)complexcombinesproteinrapidlytoformastablecompound,leadingtoanabsorbancedecreaseat525nmof5'-NSF-Mo(Ⅵ)complex.Accordingtothischange,microdeterminationofproteinhasbeendescribed.Bovineserumalbumin(BSA)couldbedeterminedinthelinearrangeof0—16μg·mL^-1withthedetectionlimitof11ng·mL^-1.Manyaminoacidandmetalionsstudieddonotinterferewiththeassay.Themethodpossesseshighsensitivityaswellashighselectivity.Itcanbeusedtodetermineproteininhumanurineandmilkpowdersuccessfully.Therelativestandarddeviationsareinallinstanceslessthan4.7%,andtherecoveriesarebetween97.6%and106.0%.Moreover,thebindingnumberofBSAwiththecomplex,whichisdeterminedbyusingmolarratio,Rosenthanlgraphicandsloperatiomethods,isingoodagreementwitheachother.

  • 标签: 蛋白质 5'-硝基水杨基荧光酮 钼化合物 微乳液 分光光谱法 牛血清白蛋白
  • 简介:利用2种杂化的密度泛函DFT方法(BHLYP和B3LYP),2种纯DFT方法(BLYP和BP86),以DZP++为基函数对Cl2O5/Cl2O5-的平衡构型进行了量子化学计算,研究了它们的几何构型、相对能量和振动频率,并对Cl2O5/Cl2O5-体系的电子亲和势进行了理论预测.

  • 标签: 二氯氧化物 分子结构 密度泛函 电子亲和势
  • 简介:3,5,6,8-Tetrahydro-4H-thiopyrano[4′,3′:4,5]thieno[2,3-d]pyrimidin-4-ones(7)weresynthesizedviathebasecatalyticreactionsofaminesorphenolswithcarbodiimides(5),whichwereobtainedfromtheaza-Wittigreactionsofiminophosphoranes(4)witharomaticisocyanates.

  • 标签: 反应合成 膦亚胺 四氢 噻吩 嘧啶 碳二亚胺
  • 简介:ThemolecularsieveVPI-5wassynthesizedbyusingvariousorganicamines(DEA,Di-PA,DBA,DPenA,TBA,DEOAandTEOA)asthestructure-directingagent.TheuseofDPAenlargedtherangeofthecrystallizationtemperaturefrom110℃to190℃inthesynthesisofVPI-5,whiletheuseofTEOAchangedthecompositionofthereactantsinabroadvariety.DiaminesarethetypicalaminesinthesynthesisofVPI-5.AmongthemDBAandDPAarethemostfavoritestructure-directingagentsforthesynthesisofVPI-5molecularsieve.

  • 标签: VPI-5 MOLECULAR SIEVE AMINES
  • 简介:通过DSC和同步辐射WAXS技术测定了结晶温度对iPP和TMB-5/iPP结晶行为的影响.结果表明,随等温结晶温度升高,iPP总结晶度变化不大,但是β晶型含量降低的同时α晶型含量增加.TMB-5是一种具有温度依赖的选择性成核剂,当等温结晶温度高于140℃时,含TMB-5成核剂的iPP的β晶型的含量急剧降低.本文进一步探讨了TMB-5对iPP结晶行为影响的机理.

  • 标签: 等规聚丙烯 Β成核剂 结晶温度
  • 简介:Aseriesof5-aminolevulinicacidanditsalkylestermethanesulfonateswasexploitedtophotodynamictherapy(PDT)ofhumanlymphocyticcells,U-937invitro.ThePDTefficiencyisinfluencedbytheconcentrationandincubationtime.Generally,forALAanditsalkylestermethanesulfonates,thecellsurvivalratedecreasesandtheaccumulationabilityofPpIXincreaseswiththeconcentrationandincubationtime.Wefoundthatthelongercarbonchainmethanesulfonates(C5-S,C6-S,C8-S)exhibitbetterPDTeffectthanALAmethanesulfonate.ThispossiblyprovidesapromisingroutetotheclinicalapplicationofPpIX-mediatedPDTtocancercell.

  • 标签: 氨基乙酰丙酸 光动力疗法 肿瘤细胞 衍生物 甲烷 细胞存活率
  • 简介:4,4-Dialkyl-2-oxazolin-5-onesarepreparedbyonestepreactionof2-oxazolin-5-onewiththemagnesiummethylcarbonate(MMC)andalkyIhalides.Itisanovelandconvenientmethodforsynthesisofα,Υ-disubstitutcdα-aminoacidbyhydrolysisof4,4-dialkyl-2-oxazolin-5-ones.

  • 标签: carbonate HYDROLYSIS ACID DISUBSTITUTED CONVENIENT STARTING
  • 简介:STUDYONTHEREARRANGEMENTREACTIONOF-AMINO-1-AMINOCARBONYL-1,2,ANDITSANALOGUES¥RongJianLU;HuaZhengYANG;BaoYingQIAN;HaiYanDENG(N...

  • 标签:
  • 简介:一系列1,3二度(2-alkyltetrazol-5-yl)triazenes被钠亚硝酸根的处理在高收益综合了并且盐酸有substituted-5-aminotetrazoles的酸。所有混合物充分用红外光谱学被描绘,1HNMR和13CNMR光谱学和高分辨率团分光计(HRMS)。大多数这些triazenes展出与TNT可比较、低的好爆炸性能融化从81的点??????獩硯穡汯湩吗?

  • 标签: 三氮烯 烯类 合成 官能化 NMR光谱 表征
  • 简介:采用薄膜分散法,以司盘类非离子表面活性剂和胆固醇为主要原料,制备抗肿瘤药物5-氟尿嘧啶(5-FU)类脂囊泡.以包封率为考察指标,对可能影响包封的各种实验条件进行优化.实验表明:药物浓度为1.0g/L,Span20与胆固醇比例为4∶3,50℃超声30min,所制得的5-FU类脂囊泡的包封率可达40%以上.透射电镜照片显示所制得的类脂囊泡为球形单室结构,测得平均粒径为393nm,且分布较均匀,表明制得的囊泡粒径符合注射给药的要求.

  • 标签: 5-氟尿嘧啶 类脂囊泡 非离子表面活性剂 胆固醇 包封率
  • 简介:IntroductionInrecentyears,Langmuir-Blodget(LB)filmshaveatractedmuchatentionbecauseoftheirposibilitiesasfunctionalmoleculardev...

  • 标签: STRUCTURE ORIENTATION LB film POLARIZED FLUORESCENCE
  • 简介:采用ICP-ASE法对匝迪-5中的Cu,As,Cd,Hg和Pb元素进行了初级形态分析。结果显示Pb和Cu在头煎液和二煎液中的含量之和分别为0.25mg/kg和0.53mg/kg。As,Cd和Hg未检出;人工胃液中Pb的含量为0.02mg/kg,Cu的含量为0.37mg/kg。说明匝迪-5煎煮液和人工胃液中重金属均低于国家药典标准的要求。

  • 标签: 匝迪-5 ICP-ASE 形态研究 重金属
  • 简介:Li4Ti5O12(LTO)/carbonnanotubes(CNTs)compositematerialissynthesizedbasedonasolid-statemethodbysand-milling,spray-dryingandcalciningat8508CunderN2flow.TheLTO/CNTssampleswith1wt%and3wt%weightratioofCNTsadditionandthepristineLTOsampleareprepared.TherateperformanceandthethermalstabilityofthesesamplesareinvestigatedbasedonLiMn2O4(LMO)/LTOfull-cell.TheresultsshowthattheweightratioofCNTsadditionhasdistincteffectonLTOperformances.ThecompositematerialsofLTOcompositedCNTshavebetterperformanceathigh-rateduetotheintercalationenhancementbyconductivenetworkofCNTs.Atsecond,theoverchargingtemperatureresponseofthecell’ssurfacewith1wt%CNTsadditionisthelowest.Theparticlesizedistributionismeasuredandthemostuniformparticlesareobtainedwith1wt%CNTsaddition.ThistrendcouldexplainthatthemediumquantityofCNTsisoptimaltoimprovetheheatandmasstransferandpreventtheproblemsofcrystallitegrowinginterferenceandaggregationduringthecalcinationprocess.

  • 标签: 下线 服务 迁移
  • 简介:TheepoxidationofallylchloridewithH2O2onTi-ZSM-5preparedbyisomorphoussubstitutionofHZSM-5withTiCl4gaswasstudied.TheresultsshowthatTi-ZSM-5hasahighcatalyticefficiencyfortheepoxidationofallylchloride.TheH2O2utilizationreaches99.50%whentheallylchloride/H2O2molarratiois>1.Theeffectofsolventspecies,catalystconcentration,H2O2andallylchlorideconcentrationandreactiontemperatureontheepoxidationwasinvestigatedsimultaneously.Itisfoundthatmethanolisthebestsolventforthereaction.Thereactionrateequationwithv=k[Cat.][H2O2]1/2-[C3H5Cl]andtheapparentactivationenergywithEa=63.462kJ/molareobtainedaccordingtothekineticsstudy.

  • 标签: TI-ZSM-5 EPOXIDATION of ALLYL chloride epichloro-hydrin