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The synthesis of deuterium labeled tryptamine derivatives, [2‐(1H‐indol‐3‐yl)‐[2H4]‐ethyl]‐dimethylamine (DMT), [2H10]‐diethyl‐[2‐(1H‐indol‐3‐yl)‐ethyl]‐amine (DET), [2‐(1H‐indol‐3‐yl)‐ethyl]‐[2H6]‐dipropyl‐amine (DPT) and [2H2]‐alpha‐methyltryptamine (AMT) is described. The isotopically labeled compounds are used as internal standards in gas chromatography‐mass spectrometry (GC‐MS) assays. 相似文献
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用密度泛函理论(DFT)中的B3LYP方法,采取6-31+G* *基组对2-氨基-5巯基-1,3,4-噻二唑(简称AMT)的异构化反应机理进行了量子化学研究,全参数优化了异构化过程中反应物、产物的几何构型,找出了异构化途径中的过渡态,并通过振动分析加以确认,同时进行零点能校正.研究结果表明,异构化过程存在六种不同的异构化通道,有六个过渡态,相对而言, A→C之间的异构化反应最易发生,C是最稳定的异构化产物. 相似文献
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采用偏最小二乘回归方法,经交叉有效性检验建立了接合正压力的平均值、接合转速、滑摩时间与摩擦片表面最高温度的关系模型,模型对各种因变量的累计解释能力超过90%,通过该模型计算得到的拟合值与实际值的平均相对误差为3.90%,优于最小二乘支持向量机的预测效果,为AMT离合器开发、控制设计的优化及实现过温保护提供了依据. 相似文献
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Label-free quantitative LC-MS profiling of complex body fluids has become an important analytical tool for biomarker and biological knowledge discovery in the past decade. Accurate processing, statistical analysis and validation of acquired data diversified by the different types of mass spectrometers, mass spectrometer parameter settings and applied sample preparation steps are essential to answer complex life science research questions and understand the molecular mechanism of disease onset and developments. This review provides insight into the main modules of label-free data processing pipelines with statistical analysis and validation and discusses recent developments. Special emphasis is devoted to quality control methods, performance assessment of complete workflows and algorithms of individual modules. Finally, the review discusses the current state and trends in high throughput data processing and analysis solutions for users with little bioinformatics knowledge. 相似文献