Oligo-Quinolylene–Vinylene Foldamers

Quinoline based aromatic amide foldamers are known to adopt stable folded conformations. We have developed a synthetic approach to produce similar oligomers where all amide bonds, or part of them, have been replaced by an isosteric vinylene group. The results of solution and solid state structural studies show that oligomers exclusively containing vinylene linkages are not well folded, and adopt predominantly flat conformations. In contrast, a vinylene segment flanked by helical oligoamides also folds in a helix, albeit with a slightly lower curvature. The presence of vinylene functions also result in an extension of π-conjugation across the oligomer that may change charge transport properties. Altogether, these results pave the way to foldamers in which both structural control and specific electronic properties may be engineered.     

Simultaneous determination of boscalid and fludioxonil in grape and soil under field conditions by gas chromatography/tandem triple quadrupole mass spectrometry

A gas chromatography–tandem mass spectrometry method was developed and validated to simultaneously determine boscalid and fludioxonil in grape and soil samples. These samples were extracted with 10 mL of acetonitrile and purified using a mixed primary secondary amine/octadecylsilane sorbent. The method showed good linearity (R² > 0.99) in the calibration range 0.005–2 μg/mL for both pesticides. The limits of detection and quantification for the two analytes in grape and soil were 0.006 and 0.02 mg/kg, respectively. Fungicide recoveries in grape and soil were 81.18–92.11% for boscalid and 82.73–97.67% for fludioxonil with relative standard deviations of 1.31–10.31%. The established method was successfully applied to the residual analysis of boscalid and fludioxonil in real grape and soil samples. The terminal residue concentrations of boscalid and fludioxonil in grape samples collected from Anhui and Guizhou were <5 mg/kg (the maximum residue limit set by China) 7 days after the last application and 1 mg/kg (the maximum residue limit set by USA) 14 days after the last application. These results could provide guidance for the proper and safe use of boscalid and fludioxonil in grape and help the Chinese government to establish an MRL for fludioxonil in grape.     

Direct Identification of the Carbon Skeleton of Organic Compounds using Double Quantum Coherence 13C-NMR Spectroscopy. The INADEQUATE Pulse Sequence

NMR spectroscopy plays an important part in the determination of the structures of organic compounds. The parameters of importance here are the chemical shifts of the ¹H and ¹³C nuclei and the spin-spin interactions both between ¹H nuclei and between ¹H and ¹³C nuclei. Couplings between ¹³C nuclei were almost completely neglected until a few years ago, since they were extremely difficult to observe because of the low natural abundance of ¹³C. However, it is these couplings which afford information directly on the carbon-carbon connectivities in the molecule. It is now possible to use a special NMR pulse sequence to make these couplings more readily visible: the result of using this sequence is a ¹³C-NMR spectrum from which the carbon skeleton concerned can be directly read off. Two-dimensional spectra in particular are very easy to evaluate. The pulse sequence involved, which bears the somewhat puzzling name INADEQUATE, produces double-quantum coherences from which the NMR signals of the coupled carbon nuclei can be obtained. In this article the principle of double-quantum coherence is described and a number of examples for the application of the INADEQUATE pulse sequences to problems in synthetic organic chemistry, biosynthesis and natural products chemistry are presented; in addition, the possibility of applying the INADEQUATE method to other nuclei is considered.     

Classification of chromatographic data using multidimensional polynomials

Summary A pattern recognition methodology has been developed for analysis of chromatographic data. The method uses a new class of multidimensional orthogonal polynomials developed by Cohen in conjunction with a supervised learning technique. The method is applicable to any chromatographic data for which classification into two or more categories is desired. The algorithm analyzes both elution times and peak areas. An application is shown for the analysis of organic acids in ascitic fluid obtained from patients with liver disorders. Classification of these patients for presence or absence of bacterial infection shows over ninety percent correct classification.     

基于正交试验法的显微镜上照明设计

根据LED光源特性和目标面光强的分布要求,采用正交试验法,对显微镜的LED照明系统进行优化设计。利用TracePro软件对所设计的系统进行光线追迹仿真,结果表明,在Φ50mm的范围内照度均匀性达到83.7%,能量利用率达到52.8%。该结构简单,成本低,易于实现。     

主链型阳离子表面活性剂聚季铵盐的制备

以N,N-二甲基-1,3-丙二胺、尿素及1,4-二氯丁烷为原料,通过共缩聚反应两步法制备了一种新的主链型的水溶性聚季铵盐.采用正交试验获得了制备聚季铵盐的最佳条件：N,N-二甲基-1,3-丙二胺与尿素的物质的量比为2∶1,反应温度为135℃,反应时间为11h,得到中间体双[3-（N,N-二甲基丙胺基）]丙脲,产率高达99％;中间体与1,4-二氯丁烷的物质的量比为1∶1,于90℃下反应6h.采用红外光谱和核磁氢谱对产物结构进行表征,测定了其热稳定性和特性粘数.     

“蓝瓶子”实验再探究*

利用SPSS 25.0统计软件对“蓝瓶子”实验进行正交实验设计,通过统计学分析得出最佳实验条件。利用氧化还原传感器(ORP)对“蓝瓶子”振荡体系的电极电势变化曲线进行分析,并针对蓝色的产生和消失过程设计3组对比实验深入探究,阐明其反应原理,意在引导学生深刻理解趣味实验现象背后的微观反应本质。     

A Novel Preprocessing Algorithm for Three-Way HPLC Data

Orthogonal signal correction (OSC) was a data preprocessing algorithm. It ensured that the filtered information was irrelevant to concentration data while using it to filter the noise from the original data. This paper extended the OSC application range from two-way data to three-way data. Two drug data sets, Enoxacin, Norfloxacin, Ciprofloxacin and Betamethasone, cortisone acetate, prednisone acetate, showed that the application of the OSC algorithm to three-way HPLC data was feasible and needed further research.     

辣根过氧化物酶反应的化学动力学分析

用辣根过氧化物酶来处理废水中的苯酚和氯酚为许多人所关注。采用停流快速混合技术，利用快速扫描紫外可见分光光度计得到辣根过氧化物酶催化过氧化氢氧化苯酚聚合过程的瞬态光谱数据。对此测量数据矩阵用正交投影及遗传算法解析后，确定体系中产生紫外吸收的物种数，及辣根过氧化物酶中间体形式的纯光谱信息，进而解出反应过程中各组分的动力学曲线。