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Brian D. Hudson Ashley R. George Martyn G. Ford David J. Livingstone 《Journal of computer-aided molecular design》1992,6(2):191-201
Summary Molecular dynamics simulations have been performed on a number of conformationally flexible pyrethroid insecticides. The results indicate that molecular dynamics is a suitable tool for conformational searching of small molecules given suitable simulation parameters. The structures derived from the simulations are compared with the static conformation used in a previous study. Various physicochemical parameters have been calculated for a set of conformations selected from the simulations using multivariate analysis. The averaged values of the parameters over the selected set (and the factors derived from them) are compared with the single conformation values used in the previous study. 相似文献
3.
5-[(Hydroxy)(phenyl)methyl]pyridine-2-carboxylic acid ((±)-vertilecanin A) was prepared from nicotinic acid in four steps
with an overall yield of 29%.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 10, pp. 2389–2390, October 相似文献
4.
γ-芳基取代烯丙醇菊酯的合成及杀虫活性陈亚娟,黄润秋,马军安(南开大学元素有机化学研究所,天津,300071)关键词γ-芳基取代烯丙醇,拟除虫菊酯,杀虫活性第一个人工合成除虫菊酯烯丙菊酯保留了天然除虫菊酯醇部分的环戊烯醇酮结构,至今仍广泛用作卫生杀虫... 相似文献
5.
The coupled-column (LC-LC) system, consisting of a first column packed with internal surface reversed phase (ISRP) (50 x 4.6mm ID) and a Chrompack C18 (100 x 4.6 mm ID) as second column, allowed the simultaneous determination of five benzoylurea insecticides in dichloromethane (CH2Cl2) extracts of vegetable samples without any clean-up step. This system was combined with a photochemically induced fluorescence (PIF) post-column derivatization in order to provide strongly fluorescent photoproducts from the non-fluorescent benzoylureas. Limits of detection ranged from 0.21 to 0.98 microg L(-1) of pesticide (equivalent to 0.14-0.65 microg kg(-1) in vegetable samples) and limits of determination ranged from 4.0 to 10.0 microg L(-1) (equivalent to 2.7-6.7 microg kg(-1)). Linearity of the method was established between 2 and 1800 microg L(-1), depending upon the compound. Validation of the total method was performed by randomly analyzing recoveries of four vegetable samples (aubergine, cucumber, green bean, and tomato) spiked at two levels of concentration (10.0 and 33.3 microg kg(-1)). The combination of the LC-LC system with PIF detection provides a sensitive, selective, and rapid method for the determination of pesticides in vegetable samples at levels lower than the maximum residue levels (MRLs) established for these compounds by Spanish legislation. 相似文献
6.
反相高效液相色谱法测定杀虫剂中吡虫啉的含量 总被引:5,自引:0,他引:5
报道了反相色谱法测定杀虫剂中吡虫啉的含量,该法采用YWG-C18(250mm×4.0mm,10μm),柱,以甲醇-水(含0.1%二乙胺,pH5.0),(35:65,V/V,1.0mL/min)为流动相,紫外检测波长为270nm,0.16AUFS,样品可直接用甲醇超声提取。样品中吡虫啉平均回收率≥97.43%,相对标准偏差≤2.1%。 相似文献
7.
Summary An analytical method for the simultaneous determination of the pyrethroid metabolites cis and trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylic acid, cis 3-(2,2-dibromovinyl)-2,2-dimethylcyclopropane carboxylic acid, 3-phenoxybenzoic acid and 4-fluoro-3-phenoxybenzoic acid in human urine samples is described. The urine is subjected to acid-induced hydrolysis followed by exhaustive solvent extraction, covering both conjugated and free acids, followed by a common derivatisation step yielding the corresponding methyl esters. Quantitation was by diastereomeric, capillary gas chromatography-mass spectrometry. It appears that 4-fluoro-3-phenoxybenzoic acid is a characteristic urinary marker for cyfluthrin exposure. The limits of determination are 0.5–1.0 g L–1 urine depending on the metabolites concerned. The applicability of the method was tested on urine samples from pest control operators exposed occupationally to cypermethrin and cyfluthrin. 相似文献
8.
Summary The applicability of capillary electrochromatography to the automated analysis of pesticides and phthalate esters that are
of environmental concern was assessed. Reversed phase packing materials were compared. Column to column and run to run reproducibility
was established. Peak height with an internal standard gave the best reproducibility. Faster analysis than alternative HPLC
methods was demonstrated for a mixture of the insecticide pirimicarb and related pyrimidines. The relationship between the
concentration of an analyte in a sample and at the detector was determined by the use of radio-labelled14C-pirimicarb. The volume fraction of the liquid zone was 0.64. The possibility of electroosmosis through the pores is discussed
with reference to the Rice-Whitehead model for electroosmotic flow in a capillary. A new parameter, the effective pore size
is used in equations for electroosmosis through porous packings. 相似文献
9.
10.
《Journal of separation science》2018,41(14):2924-2933
A magnetic solid‐phase extraction adsorbent that consisted of citrus peel‐derived nanoporous carbon and silica‐coated Fe3O4 microspheres (C/SiO2@Fe3O4) was successfully fabricated by co‐precipitation. As a modifier for magnetic microspheres, citrus peel‐derived nanoporous carbon was not only economical and renewable for its raw material, but exerted enormous nanosized pore structure, which could directly influence the type of adsorbed analytes. The C/SiO2@Fe3O4 also possessed the advantages of Fe3O4 microspheres like superparamagnetism, which could be easily separated magnetically after adsorption. Integrating the superior of biomass‐derived nanoporous carbon and Fe3O4 microspheres, the as‐prepared C/SiO2@Fe3O4 showed high extraction efficiency for target analytes. The obtained material was characterized by scanning electron microscopy, Fourier transform infrared spectroscopy, X‐ray photoelectron spectroscopy, and the Brunauer–Emmett–Teller method, which demonstrated that C/SiO2@Fe3O4 was successfully synthesized. Under the optimal conditions, the adsorbent was selected for the selective adsorption of seven insecticides before gas chromatography with mass spectrometry detection, and good linearity was obtained in the concentration range of 2–200 μg/kg with the correlation coefficient ranging from 0.9952 to 0.9997. The limits of detection were in the range of 0.03–0.39 μg/kg. The proposed method has been successfully applied to the enrichment and detection of seven insecticides in real vegetable samples. 相似文献