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The inclusion behavior of 4,4′ -Thiodiphenol (TDP),a typical bisphenol and endocrine disruptor,reacts with β-cyclodextrin (β-CD) in aqueous solutions has been investigated by means of UV absorption spectrum and quantum-chemical calculation with Gaussian 98 software. The results show that the inclusion behavior of TDP is quite different in acidic solutions (pH 5.9) from that in alkaline solutions (pH 10.0). This behavior difference is attributed to the different formula structures in aqueous solutions at acidic and alkaline pH values that are demonstrated by quantumchemical modeling and calculation. TDP forms a 1∶1 β-CD inclusion complex in aqueous solutions. The equilibrium constant K was calculated to be 553.49 L/mol at pH 5.9 and 1 318.20 L/mol at pH 10.0 respectively for the inclusion complex reaction by using the modified Benesi-Heldbrand equation. After inclusion TDP's structure is changed especially at the inclusion part with the bond order becoming larger,which results in inhibitive photodegradation during direct photooxidation and H2O2 assisted photooxidation.  相似文献   

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本文在~1H NMR中用WATR法直接测定和比较了不同果汁中葡萄糖和蔗糖的存在.WATR法在观察频率89.55MHz和NH_4C1为质子交换试剂时,稀水溶液最佳的测定条件是pH~6.2和NH_4C1浓度为0.5—1.0M.  相似文献   

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0 IntroductionCyclodextrins (CD)arenon reducingcyclicmaltooligosaccharidesproducedfromstarchbycyclodextringlycosyltransferaseandarecom posedofahydrophilicoutersurfaceandahy drophobicinnercavity .β cyclodextrinsarecom posedofsevenD glucopyranoseunits.Theringshapedstructureandhydrophobicinnercavityal lowthemtohousevariousguestmoleculesandtoformhost/ guestinclusioncomplexes.Cyclodex trinswereusedtoforminclusioncomplexwithdrugstoincreasewatersolubilityandbioavailabili tyofpoorlywater solubledru…  相似文献   

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文章报道并研究了十九个新的不对称取代乙二胺及其衍生物的 ̄1H-NMR,发现此类化合物中连二亚甲基的化学位移存在递变规律,指出该规律与其相连氮上的取代基的共轭效应和诱导效应的强弱相关。  相似文献   

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GENE THERAPY IS A COMMON PROCESS TO DELIVER EXTRIN- SIC GENES INTO TARGET CELLS FOR FURTHER GENE EXPRESSION, FOR THE PURPOSE OF TREATING DISEASES. A WELL DESIGNED GENE DELIVERY CARRIER CAN EFFICIENTLY PACKAGE AND PRO- TECT NUCLEIC ACID FROM BEING DIGESTED BY A VARIETY OF ENZYMES IN VIVO AND SHOULD BE ABLE TO SPECIFICALLY LO- CATE EXTRINSIC GENES INTO THE TARGET ORGANISMS. S…  相似文献   

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以一取代苯为基本模型,由一取代苯对位质子的 ̄1H──NMR谱化学位移δ_p与 ̄(13)C──NMR谱化学位移δ_c=128.5+A_p计算式中的取代参数A_p之间的线性关系,用最小二乘方法来得一取代苯对位碳核 ̄(13)C──NMR谱化学位移经验公式:δ'_c=9.2+16.39δ_p,其计算结果与文献值相一致。  相似文献   

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本文测定了N,N—二甲基甲酰胺(DMF)在甲苯和四氯化碳混合溶剂申随甲苯摩尔分数变化的~1H NMR谱,观察到N,N—二甲基甲酰胺(DMF)分子中的两个甲基和混合溶剂中的甲苯共振吸收峰的化学位移随甲苯摩尔分数增加而逐渐移向高场,而且两个甲基向高场移动的程度不同。发现如果苯环上的氢被甲基取代,DMF分子中的甲基和溶剂分子中的苯基向高场移动的幅度递减,得到了所有化学位移与混合溶剂中甲苯的摩尔分数呈线性关系。  相似文献   

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本文测定了一系列丙烯酸酯(包括:甲基丙烯酸甲酯,甲基丙烯酸异冰片酯,丙烯酸酯等)与N-芳基取代甲基丙烯酰胺,(包括:N-苯基甲基丙烯酰胺(N-φMA),N-对甲苯基甲基丙烯酰胺(N-p-TMA),N-邻甲苯基甲基丙烯酰胺(N-o-TMA),N-对澳苯基甲基丙烯酰胺(N-p-BrPhMA),N-对氯苯基甲基丙烯酰胺(N-p-ClPhMA),N-对硝基苯基甲基丙烯酰胺(N-p-NPhMA),N-邻硝基苯基甲基丙烯酰胺(N-o-NNPhMA),N-萘基甲基丙烯酰胺(N-α-HMA))的共聚物 ̄1H-NMR谱。用 ̄1H-NMR方法测定了共聚物的组成,估算了共聚体系中各单体的竞聚率,比较了各种单体的反应活性。  相似文献   

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Influenza A (H1N1) was spread widely between cities and towns by road traffic and had a major impact on public health in China in 2009. Understanding regulation of its transmission is of great significance with urbanization ongoing and for mitigation of damage by the epidemic. We analyzed influenza A (H1N1) spatiotemporal transmission and risk factors along roads in Changsha, and combined diffusion velocity and floating population size to construct an epidemic diffusion model to simulate its transmission between cities and towns. The results showed that areas along the highways and road intersections had a higher incidence rate than other areas. Expressways and county roads played an important role in the rapid development stage and the epidemic peak, respectively, and intercity bus stations showed a high risk of disease transmission. The model simulates the intensity and center of disease outbreaks in cities and towns, and provides a more complete simulation of the disease spatiotemporal process than other models.  相似文献   

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本文用宽带去偶和门控去偶等NMR技术对氟鲁他米特进行了1H、13CNMR谱数据分析和归属,得到了1H—1H,1H—13C、19F—13C的偶合常数,确定了氟鲁他米特的化学结构.  相似文献   

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Alzheimer’s disease (AD) is one of the progressive neurodegenerative diseases associated with protein conformational transition, generally known as protein conformational disorders[1]. The general characteriza- tions of AD are the intracellular fibrillar…  相似文献   

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基于群论理论和原子分子反应静力学正确判断了H2O(X^1A1)离解极限。采用密度泛函B31yp/6-311++g^**方法优化出H2O(X^1A1)了平衡几何、离解能和振动频率.考虑核振动能量,修正Bom—Oppenheimer近似理论下的分子势能函数,计算了H2O(X^1A1)分子的二阶力常数、正则振动频率和零点能。使用多体项展式理论方法导出了基态H2O(X^1A1)分子非Bom—Oppenheimer近似理论下的分析势能函数,然后根据该修正势能函数绘出等值势能图,并讨论了H+OH反应和O+H2反应的势能面静态特征。结果表明:在H+OH—H2O通道上反应为无阈能反应,而O+HH→H2O存在鞍点,反应具有一定的方向性,以垂直H—H键的方向最为有利。  相似文献   

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Rainbow trout histone H3(RH3)promoter was cloned via high fidelity PCR.The cloned RH3 promoter was inserted into a promoter-lacked vector pEGFP-1,resulting in an expression vector pRH3EGFP-1.The linearized pRH3EGFP-1 was microinjected into fertilized eggs of rare minnows and the sequential embryogenetic processes were monitored under a fluorescent microscope.Strong green fluorescence was ubiquitously observed at as early as the gastrula stage and then in various tissues at the fry stage.The results indi cate that RH3 promoter,as a piscine promoter,could serve in producing transgenic Cyprinoid such as rare minnow.Promoter activity of RH3,CMV and common carp β-actin(CA)were compared in rare minnow by the expression of respective recombinant EGFP vectors.The expression of pCMVEGFP occurred earlier than the following one,pRH3EGFP-1,and then pCAEGFP during the embryogenesis of the transgenics.Their expression activities demonstrated that the CMV promoter is the strongest one,followed by the CA and then the RH3.  相似文献   

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系统研究了图论方法在定量构效(性)关系(QSAR/QSPR)中的应用,研究了一种路径长度新的指数P_1,并发现它与烷烃~(13)CNMR化学位移和有良好线性相关性。  相似文献   

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Endo-β-glucanases play vital roles in the regulation of pollen tube growth. Here, a previously identified endo-1,4-β-glucanase from Lilium longiflorum (lily), named LlpCel1, was expressed in Escherichia coli, purified, and further investigated for its physiological function. The recombinant LlpCel1 protein hydrolyzed carboxy-methylcellulose (CMC) and exhibited activity towards laminarin from Eisenia. arborea and 1,3:1,4-β-glucan of barley. The pH for the optimum activity was 6.0 and the value of Km calculated from CMC was 5.0 mg/mL. Adding EDTA resulted in the total loss of the enzymatic activity, and this effect could be restored by the addition of Ca2 . Western blotting analysis showed that LlpCel1 protein was present in pollen grains and rehydrated pollen grains, and the amount of the protein was increased during pollen germinating, but not in the pollen tube. Consistently, the immunofluorescence labeling study with the antibody against LlpCel1 also indicated the presence of LlpCel1 at the begin-ning of germination, but not in the elongating pollen tube. Furthermore, incubation of LlpCel1 with pollen at the beginning of pollen germination increased the germination percentage and the length of pollen tube. All of these results suggested that LlpCel1 could play an important role in the regulation of lily pollen germination and the initiation of pollen tube growth.  相似文献   

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