【摘 要】
：
A study on the use of analyte chemical structures to permit prediction of retention times(and thereby to select optimal chromatographic conditions) is reported.A Quantitative Structure-Retention Relat
【机 构】
：
Australian Centre for Research on Separation Science(ACROSS),University of Tasmania,Private Bag 75,H
【出 处】
：
43rd International Symposium on High Performance Liquid Phas
论文部分内容阅读
A study on the use of analyte chemical structures to permit prediction of retention times(and thereby to select optimal chromatographic conditions) is reported.A Quantitative Structure-Retention Relationships(QSRR) approach is ultilised whereby molecular modelling is utilised to generate molecular descriptors of analytes based on their chemical structures.
其他文献
短链烷基噻吩作为FCC 汽油中的主要组分,其在改性Y 分子筛上的反应路径是进一步降低FCC 汽油中硫含量的关键[1].先前研究者们只停留在改性Y 分子筛的织构性质和B 酸或L 酸的角度对烷基噻吩的转化进行了研究.然而,改性Y 分子筛中与B 酸或L 酸相关的非骨架铝物种或相关离子物种的存在形式对烷基噻吩的中间体的形成与转化路径等更微观角度的研究还鲜有报道.
环氧丙烷(PO)是第三大丙烯衍生物,对我国化学工业和国民经济发展具有深远的影响.丙烯气相直接环氧化制备PO的工艺具有绿色环保、原料廉价和操作简单等优势,成为当前的研究热点[1].目前,该体系中传统的催化剂(负载Au纳米颗粒的钛硅分子筛TS-1)仍存在以下问题(1)催化剂的微孔孔道易被焦炭堵塞而产生快速失活 [2];(2)产物PO难以及时从TS-1表面脱附造成深度氧化为副产物[3-5].
The pyrolysis of 1,2-dichloroethane is the most popular commercialized way of production vinyl chloride,however it is plagued by the high energy consuming and the resulted coke formation.Therefor exte
我们报道了一种结合了结构解析和结构预测分子筛的新方法,并且成功合成出预测的分子筛结构1.通过旋转电子衍射(Rotation Electron Diffraction,RED),我们发现未知分子筛ZSM-25和已知分子筛PAU(属于立方晶系,a =34.34(A))结构的强衍射点分布相同(见图1a-d).利用ZSM-25实验结构因子的振幅和PAU结构因子的相角成功解析出ZSM-25的结构(见图1e,
Biomass,which is regarded as a renewable feedstock,has attracted much attention for theproduction of fine chemicals and fuels.Many economically viable processes have beendeveloped for the conversion o
分子筛、介孔材料及大孔材料得到了人们的广泛关注.由于其性能不仅取决于其组成,更取决于其结构,因此对其进行结构研究异常重要.电子晶体学以电子为探针,通过透射电子显微学(TEM)和扫描电子显微学(SEM)可以得到样品多方面的信息[1].
We have developed multiple proteomics approaches to comprehensive analysis of post-translational modifications(PTMs)of proteins.For large scale analysis of protein phosphorylation and glycosylation in
A column-array based multi-dimensional liquid chromatographic system was developed.In this system,the first dimension was a ion exchange liquid chromatographic column and the second dimension was an 8
Traditional Chinese medicine(TCM) has been the primary means for maintaining health as well as preventing and treating human diseases.However,the pharmacologically active ingredients of a phytocomplex
There has been much criticism about discovered biomarkers not making it into clinics.A reason for this paucity is that the skill sets for discovery and translation are different,and success requires b