查询词典 isomer

The molecule of DAFF isomer is planar and packs layer by layer like graphite.

结果表明：DAFF isomer晶体属三斜晶系，空间群P-1，分子呈平面构型。

A novel isomer of furazano energetic compound 3,4-diaminofurazanofuroxan was synthesized by the dimeric ring-close reaction of transitional intermediate 3-amino-4-cyanofurazan oxide after the energetic compound 3-amino-4-chloroximinofurazan was treated with diluent alkali at low temperature, The yield of DAFF isomer could be over 66.3% and its single crystal was cultivated.

将含能化合物3-氨基－4-氯肟基呋咱在低温下用稀碱处理后发生过渡中间体3-氨基－4-氰基呋咱氧化物的二聚关环反应合成了新型呋咱类含能化合物3，4-二氨基呋咱基氧化呋咱异构体，产率达66.3%。

The molecular structure of this isomer has been determined by X-ray diffraction and it is the first time to report the crystal structure of this kind of isomer which was proposed erroneously in the literature.

采用X-射线衍射的方法测定了其中一个异构体的结构，这是对此类异构体单晶结构的首次报导，纠正了文献中存在的对此类化合物结构的错误认识。

Several transient compounds were synthesized by the homo- and heterogeneous reactions of reactive halogen compounds, In-situ ultraviolet photoelectron spectroscopy and photoionization mass spectroscopy as well as theoretical calculations were used to study their molecular structures, stability and molecular orbital properties, their electronic structures and geometric structures were obtained for the first time; Simultaneously, the electronic structure and thermal dissociation of acetyl peroxynitrate and trifluoroacetyl peroxynitrate which have great importance in the atmospheric chemistry were studied; The substituent effects of series of halopyridines and halothiophenes were studied by the ultraviolet photoelectron spectroscopy method for the first time. The atmospheric chemical reaction between peroxyacetyl radicals with IO radicals as well as the dissociation of the most stable isomer of CH3COIO3 were calculated by density functional theory, it was found that the CH3COOIO2 isomer may be act as a new reservoir of inorganic iodine in the stratosphere.

通过活性卤素的系列均相与非均相化学反应合成了几种瞬态物种，采用原位紫外光电子能谱和光电离质谱结合量子化学理论计算对化合物的分子结构、稳定性以及分子轨道特性进行了研究，首次获得了这些物种的电子结构和几何结构的信息；同时研究了大气中有重要作用的乙酰过氧硝酸酯和三氟乙酰过氧硝酸酯的电子结构性质及热解过程；采用紫外光电子能谱手段首次研究了系列卤代吡啶和噻吩的取代基效应；通过量子化学理论计算研究了乙酰基过氧自由基与IO自由基的大气化学反应及其最稳定异构体CH3COOIO2的解离，发现该物种可能是无机碘化合物在平流层中的储库物种。

A computational result of RHF/LANL2DZ optimized structure and total energy shows that the isomers with C H…π structure have lower total energy, and that stability and isomeric preference of isomer are related to the C H…π interaction in the isomer.

用 RHF/LANL2DZ对该体系可能的异构体进行结构、能量优化，可能形成C—H…π相互作用的异构体具有较好的稳定性。C—H…π相互作用对含吡啶环的[CoN5Cl]^2+系配合物的异构体的选择性形成及其稳定性具有重要作用。

The para-/ortho- product isomer ratio is 6.2 for the nitration of chlorobenzene at 18℃ for 8h with n/n(NH4NO3)=5. The para-/ortho- product isomer ratio is 14.0 for the nitration of bromobenzene at 0℃ for 8h with n/n(NH4NO3)=5. The pars-product, p-nitrobromobenzene, from the nitration of bromobenzene in [HSO4] under 0℃ precipitates with 98% purity, which facilitates the separation of the pure isomert.

其中氯苯在18℃下反应8h，三氟乙酸酐/硝酸铵为4时产物的对邻比达到6.2，而溴苯在0℃下反应8h，TFAA/硝酸铵为5时产物的对邻比可达到14.0，并且生成的对硝基溴苯可以从反应液中析出，得到对硝基溴苯含量为98%的产物。

The bioassays showed that the inhabitation rate of the mixture of two isomers, Z isomer and E isomer were reached 95 %, 100% and 97% against Sphaerotheca fuliginea at 50 mg/L.

结果表明，当处理剂量为50mg／L时，氯苯肟唑、Z-氯苯肟唑和E-氯苯肟唑的防效分别为95％、100％和97％，三者活性基本相当，故在实际中无须将两个异构体分离，混合体可直接应用。

The bioassays showed that the inhabitation rate of the mixture of two isomers, Z isomer and E isomer were reached 95%, 100% and 97% against Sphaerotheca fuliginea at 50 mg/L. The inhabitation rate of them was similar, so the mixture of the two isomers can be used without separation.

结果表明，当处理剂量为50 mg/L时，氯苯肟唑、Z-氯苯肟唑和E-氯苯肟唑的防效分别为95%、100%和97%，三者活性基本相当，故在实际中无须将两个异构体分离，混合体可直接应用。

The quantitative relationship between isomer shift, refractive index and chemical bond parameters were established. The calculated results indicated that the change of crystal parameters and bond length will alter the covalency of chemical bond and peripheral electron density of Fe2+ nuclear, which in turn leads to the change of the isomer shift and refractive index.

根据计算结果发现，晶胞参数及化学键长的变化引起化学键共价性、Fe2+核附近电子云密度的变化等，最终导致同质异能位移的改变，计算结果与实验数据之间较好的一致性验证了此理论的准确性和普适性。

Rresults from those studies can be summariazed as follow:(1) A preliminary study no correlationship between the UV-VIS reflection spectrum of tomato fruit surface and the lycopene amount of tomato fruit was undertaken. Based on observation from this study, a damage-free and in-situ detection technique of lycopene amount from tomato was developed with UV-VIS reflection spectroscopy;(2) The geometrical isomers of lycopene were separated successfully on C30-HPLC-PDA-ELSD. The absorption coefficients of Z-isomers were consequently dedermined. The geometrical isomer composition of lycopene could therefore be assessed. Those efforts formed a solid base to identify the natural product from synthetic compound of lycopene;(3) Lycopene resource from the fruit of Autumn oliver was proved to be available for industrial application. An extraction methos of lycopene from the fruit of Autumn oliver by supercritical carbon dioxide was developed at laboratory scale;(4) A method to extract lycopene by supercritical liquid with improved efficiency was developed; Data from this investigation suggested that a proper raw material pre-extraction process was important for a better extraction efficiency;(5) Variation in the geometrical isomer composition of lycopene during its metabolish in rat was assessed. A large amount of Z-isomers were observed. This variation took place in serum;(6) The absorption rate and accumulation in serum of natural lycopene in rat were assessed;(7) Ability to quench singlet oxygen by different geometrical isomers of lycopene was compared;(8) It was detected that whether natural lycopene had functions to regule blood-lipids and LDL antioxidation;(9) A C31 degradation piece of lycopene was found in the prostate gland of rat.

研究结果包括：[1]应用UV-VIS反射光谱法建立了番茄果实中番茄红素含量的无损伤、现场检测技术；[2]应用C30-HPLC-PDA-ELSD技术实现了对番茄红素几何异构体的分离，测定了不同顺式异构体的吸光系数，建立了天然番茄红素几何异构体组成的检测方法，为区分和鉴定人工合成品和天然产物奠定了基础；[3]证实了秋橄榄果实中的番茄红素资源具有工业开发价值，并建立了超临界CO_2萃取的实验室方法；[4]探索了提高番茄红素超临界流体萃取效率的方法，证明了物料前处理对提高萃取效率起了极其重要的作用；[5]观察了番茄红素在大鼠体内几何异构体组成的变化情况，发现了大量顺式异构体的存在，并证实了几何异构体组成在血清中发生了显著变化；[6]测定了天然番茄红素在大鼠体内的吸收率和在大鼠血清中的动态积累规律；[7]比较了不同番茄红素几何异构体淬灭单线态氧的能力；[8]检测了天然番茄红素是否具有调节血脂作用和抗低密度脂蛋白氧化的功能；[9]首次发现大鼠前列腺内存在番茄红素C31降解片段，并证实其仍具有淬灭单线态氧的能力。

The absorption and distribution of chromium were studied in ryeusing nutrient culture technique and pot experiment.

采用不同浓度K2CrO4(0，0.4，0.8和1.2 mmol/L)的Hoagland营养液处理黑麦幼苗，测定铬在黑麦体内的亚细胞分布、铬化学形态及不同部位的积累。

By analyzing theory foundation of mathematical morphology in the digital image processing, researching morphology arithmetic of the binary Image, discussing two basic forms for the least structure element: dilation and erosion.

通过分析数学形态学在图像中的理论基础，研究二值图像的形态分析算法，探讨最小结构元素的两种基本形态：膨胀和腐蚀；分析了数学形态学复杂算法的基本原理，把数学形态学的部分并行处理理念引入到家实际应用中。