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The results show that for collectors of the same kind, their selectivity is in linear relationship with HOMO energy and can be predicted well. For collectors of different kinds, it can be concluded from shape of HOMO and atomic HOMO density that the selectivity of ethoxycarbonyl thionocarbamates is better than the one of xanthogen formates.

结果表明:对于同种类型的捕收剂,其选择性与HOMO能量呈线性关系,依据HOMO能量能较准确地预测这两种捕收剂的选择性能;对于不同种类的捕收剂,通过对HOMO形状以及组成原子的HOMO密度的讨论可知,乙氧羰基硫氨酯类捕收剂的选择性能要比黄原酸甲酸酯类捕收剂的强。

According to the temperature control characteristic of the carbonyl compound mode evaluation device,the paper presents the design of system hardware and software,studies of control algorithm in combination with PID,pure delay and fuzzy control technology.

针对羰基合成反应装置中温度控制的特点,设计了温控器的硬件和软件部分;研究了与之相适应的控制算法,提出将模糊控制、PID控制及纯滞后控制算法有机地结合起来,使温控器在具有PID控制器动态跟踪品质和稳态精度的基础上,进一步实现控制的自适应性,发挥模糊控制鲁棒性强、动态响应好、上升时间快、超调小的特点。

Results and Discussion Flavin 2 was synthesized from 3,4-diaminobenzoic acid (3) and alloxane monohydrate (4) in good yield according to standard procedures (Scheme 1).9 The first step afforded flavin 5 in quantitative yield, in 1:1 ratio of the 7- and 8-hydroxycarbonyl regioisomers, and was subsequently methylated by methyl iodide to form flavin 6 in 86% yield, in a 3:2 ratio of the 7- and 8-regioisomers.

结果与讨论黄素二是合成3,4 -二氨基安息香的酸( 3 )和氧嘧啶水合物( 4 )在良好的收益率根据标准程序(计划1) 0.9的第一步,给予黄素五,在定量产量,在1:1的比例, 7 -8 -羟基羰基 regioisomers ,并随后甲基甲基碘形成黄素6月在86 %的产量,在一个3:2的比例, 7 -和8 regioisomers 。

Because the carbonyl in its structure is with strongly absorb-electron effect, so it is a kind of non-proton polarity solvent with high boiling point, high flash point and low melting point, use conveniently for many processing operation such as filtration, distillation, solvent extraction, and so on; it is with very low toxicity, so the harm to human body is inappreciable, and reduce the environment pollution; due to its very strong dissolvability, it can dissolve organic matter, inorganic matter, resin, polymer, etc., and activate all kinds of reagent, mix to dissolve the other high boiling point solvents; it is with very good stability, it is stable under the hot strong alkali and acidity condition, it is with water-resistance and light, oxygen stability.

246℃ m.p:—20℃闪点121℃ flash point: 121℃分子式:C6H12N2O molecular formula: C6H12N2O 分子量128.18 molecular weight: 128.18 二、DMPU的化学性质 Chemical character of DMPU 其结构中由于羰基具有强烈的吸电子效应,因而它是一种非质子的极性溶剂,具有高沸点、高闪点、低熔点,在过滤、蒸馏、溶剂萃取等工艺操作中使用方便;毒性极低,对人体危害微不足道,也减少了对环境的污染;由于它具有极强的溶解性,能溶解有机物、无机物、树脂、聚合物等,并对各种试剂具有活化性质,还能与其它高沸点溶剂混溶;具有极好的稳定性,在热的强碱和酸性条件下都很稳定,还具有耐水性及对光、氧的稳定性。

The array consisted of 8 piezoelectric crystal sensors, each coated with an adsorptive material with unselective, but different response characteristics. The frequency shift data obtained from the array as the response to mixed vapour of common organic solvents of small molecular size were treated by using stepwise discrimination analysis, and five coatings that provided the maximum level of analyte discriminating ability were selected. The array constructed from these solvents was applied to recognizing alcoholic hydroxyl, carbonyl from other organic functional groups. The principal component analysis was applied to the original and autoscalled data. The two-dimensional display of the data showed well-defined clusters for solvents containing different functional groups separated from each other. The array was applied to identifying spirits and beverages.

该阵列由八个压电晶体传感器组成,每个传感器涂以具有广谱响应性能的不同吸附活性材料,阵列对常见小分子有机溶剂混合蒸气的响应频移数据采用逐步判别分析处理,选出五个供信能力最佳的判别变量,以此构成的阵列用于小分子有机溶剂混合蒸气中醇羟基、羰基与其它官能团的识别,并采用主成分分析法降维投影,在二维空间含相同官能团的物质聚为一类;阵列可用于酒类、软饮料的识别。

The influence of the resonance effect,the conjugative effect,and the inductive effect on the absorption frequency of the characteristic chemical bonds have been discussed mainly in this paper.

重点讨论了共轭效应、共振效应、诱导效应对功能团吸收频率的影响,并利用吸收频率数据比较有机物的某些性质,如羰基化合物的亲核取代反应,若香烃的亲电取代反应,某些酸的酸性强弱,有机物的异构现象。

Results show that intramolecular hydrogen transfer is not favored in view of the energy trend along IHT coordinate in the region such as hypericin's peri region, where two hydrogens of hydroxyl groups bond with a common oxygen of carbonyl group and exists two IHBs in the peri region. However, intramolecular proton transfer often occur in the molecule with hexahydric cycle hydrogen bond, where only one pair of adjacent hydroxyl group and carbonyl group.

此外选择设计了一个具有三个分子内氢键的体系,兼具金丝桃蒽酮和其他苝醌类光敏剂的分子内氢键特点,研究表明两个羟基氢与共同的羰基氧形成的氢键由于存在较高的势垒,很难发生分子内氢传递,即具有金丝桃蒽酮端位结构的分子其分子内氢传递很难发生,而一般的能形成六元环状结构的分子内氢键体系容易发生分子内氢传递。

D limonene was distributed among the culture flasks (200 mg/L). The flasks were incubated at 28oC on a rotary shaker (r/min=120) for 5 days. On completion, the culture broth were successively extracted with EtOAc. The extract was quantitatively measured by gas chromatography mass spectrometry analysis, The results showed that biocatalytic reactions were comprised of oxidation, including hydroxylation and ketonization which occurred at different positions of the D limonene, as well as hydrogenation, hydrolyzation, esterification and cyclic cleavage. These bacteria strains possess the distinctive biocatalytic capacities towards the D limonene. A series of terpenoids, including sesqui , di and tri terpernoids were also observed,which was accounted for D limonene had influence on the metabolites of marine bacteria.

以2216E为培养基,添加200mg/L的柠檬烯,在28℃,以120 r/min摇瓶培养5 d,用乙酸乙酯提取培养液,经GC MS分析其转化产物,结果显示,这些细菌能在柠檬烯的不同位置进行羟基化、羰基化等,并伴随有还原、水解、酯化、开环等反应,但转化能力和转化程度不同;在产物中,还检测到系列结构不同的其它萜类:包括倍半萜、二萜以及三萜等,这些萜类化合物的产生跟柠檬烯的加入有关,说明柠檬烯能影响细菌代谢产物的产生。

That 1,4-addition reactions of Grignard agent made from 1-bromo-3-triphenylmethoxyl-1-octene and organozinc agent made from 1-iodo-3-trimethysiloxy-1-octene with 2-(6-methoxylcarbonylhexyl)-4-(2- tetrahydro-pyranyloxy)-2-cyclopentenone both gave prostaglandin 〓 methyl ester statethat prostaglandin E compounds can be prepared by 1,4-addition reaction oforganozinc agent.

最后,研究了溴化-3-三苯甲氧基-1-辛烯基镁和碘化-3-三甲硅氧基-1-辛烯基锌与2-(6-甲氧羰己基)-4-(2-四氢吡喃氧基)-2-环戊烯酮通过1,4-加成反应合成〓甲酯的方法,结果表明,用有机锌试剂通过1,4-加成反应来合成PGE类化合物是可行的。

Properties of frontier orbital of xanthogen formates and ethoxycarbonyl thionocarbamates, including HOMO energy, shape of HOMO and atomic HOMO density, were calculated with quantum chemistry programs GW03 and FUJISTU CAChe. According to the results, the relationship between selectivity of such two kinds of collectors and their quantum chemical indices was investigated to discuss the feasibility of applying them in screening chalcopyrite collectors.

摘 要:利用量子化学软件GW03和FUJISTU CAChe计算黄原酸甲酸酯类、乙氧羰基硫氨酯类黄铜矿捕收剂的前线轨道的性质—HOMO能量、HOMO形状以及药剂组成原子的HOMO密度,并结合这两类药剂的浮选结果研究这些量化参数与药剂选择性之间的联系,探讨这些参数作为选择黄铜矿捕收剂判据的可行性。

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