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91.
YiHU JueCHEN ZhangGaoLE ZhenChuCHEN QinGuoZHENG 《中国化学快报》2005,16(7):903-905
An efficient method is reported for the synthesis of phenacyl esters by reaction of carboxylic acids with a-bromoacetophenone promoted by potassium fluoride in ionic liquid [Bmim]PF6, the yield of the reaction is almost quantitative and the products are essentially pure. 相似文献
92.
Introduction As an important type of fungicides, triazole compounds are highly efficient, low poisonous and inward absorbent.1-3 At present, the studies on triazole derivatives are mainly concentrated on compounds with triazole as the only active group. The report of triazole compounds that contain both triazole group and other active group in a single molecule has rarely been found. Dialkyl-substituted dithiocarbamate salts have also shown interesting biological effects.4 N,N-Dialkyldithio-… 相似文献
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94.
硼氢化钠水解制氢的研究 总被引:8,自引:0,他引:8
采用置换镀的方法在泡沫镍基体上获得不同载钌量的NaBH4水解制氢催化剂。实验结果表明,NaBH4水解制氢反应为零级反应,氢气生成速率随载钌量的增加而变快;当泡沫镍表面完全被钌覆盖时,载钌量为6%,相应的催化能力最强。与离子交换树脂载钌催化剂相比,泡沫镍载钌催化剂更稳定、耐用。实验还证实,30%比35%的NaBH4水溶液在相同的催化剂作用下更易发生水解反应;NaBH4水溶液中加入少量的NaOH有助于提高钌催化剂的催化性能。通过对NaBH4储氢体系的能量计算,说明采用该氢源体系的微型燃料电池的能量密度有望达到甚至超过锂离子电池的比能量水平。 相似文献
95.
QSAR Studies on the COX-2 Inhibition by 3,4-Diarylcycloxazolones Based on MEDV Descriptor 总被引:2,自引:0,他引:2
Selective inhibition of cyclooxygenase-2 (COX-2) might avoid the side effects of current available nonsteroidal antiinflammatory drugs while retaining their therapeutic efficacy. A novel variable selection and modeling method based on prediction is developed to construct the quantitative structure-activity relationships (QSAR) between the molecular electronegativity distance vector (MEDV) based on 13 atomic types and the biological activities of a set of selective cyclooxygenase-2 inhibitory molecules, 3,4-diarylcycloxazolones (DAA) plus indomethacin,naproxen, and celecoxib. Using multiple linear regression, a 5-variable linear model is developed with the calibrated correlation coefficient of 0.9271 and root mean square error of 0.17 in modeling stage and the validated correlation coefficient of 0.9030 and root mean square error of 0.20 in leave-one-out validation step, respectively. To further test the predictive ability of the model, 20 DAA compounds are picked up to construct a training set which is used to build a QSAR model and then the model is employed to predict the biological activities of the balance compounds. The predicted correlation coefficient and root mean square error are 0.9332 and 0.19, respectively. 相似文献
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97.
Adaptation of Cu/ZnO/Al_2O_3 to Temperature Change in Methanol Synthesis from CO_2 Hydrogenation 下载免费PDF全文
Jialin Tao Ki-Won Jun Kyu-Wan Lee. Chemical Technology Lab. Korea Research Institute of Chemical Technology P.O. Box Yusong Taejon - Korea. Chengdu Institute of Organic Chemistry Chinese Academy of Sciences Chengdu ChinaManus 《天然气化学杂志》2002,(Z1)
The induction behavior in CO2 hydrogenation was studied by varying the reaction temperature to investigate the adaptation of the Cu/ZnO/Al2O3 catalyst to the temperature change. The results indicated that a used catalyst had a tendency to keep the last running state in new reaction conditions for MeOH formation, and that this tendency was related to the difference in Cu/Cun+ ratio caused by CO2 and CO produced at different reaction temperatures. However, the reverse water-gas shift reaction (RWGS) induced at four temperatures was completely different from that of methanol synthesis. It implied that the two so-called competitive reactions in CO2+H2, RWGS and methanol synthesis, have different active centers. 相似文献
98.
IntroductionTheincreasingcommercialvalueoftransitionmetalcomplexesofxanthateshasarousedconsiderableinterestintheirchemistry .Whiletheiranalyticalapplicationsarewellknown ,1theyarenowfindingextensiveuseinvulcan izationofrubber ,frothfloatationprocessforconcentrationofsulphideores ,asantioxidants ,lubricants ,2 ,3andhavebeenfoundtopossessfungicidalandinsecticidalactivi ties .4 Recently ,molecularrecognitionbetweenhostandguestmolecules ,inclusionphenomenaandnoncovalentmolecularinteractionarefunda… 相似文献
99.
The present paper employed density function theory to investigate two reaction pathways for isomerization of enol ester proposed by Yang(path a) and the present authors(path a), respectively. The base catalytic effects of solvent triethylamine on these two reactions were also evaluated. It is demonstrated that path B is more preferable than path a due to low barrier height for the rate-determining step. 相似文献
100.
分子印迹技术制备石油有机硫组分固相萃取剂的研究 总被引:2,自引:0,他引:2
用分子印迹技术合成了对石油有机硫组分二苯并噻吩(Dibenzothiophene,DBT)具有高效选择性的分子模板聚合物(Molecularly Imprinted Polymer,MIP),通过静态吸附的方法研究了不同功能单体和致孔剂及其用量对模板聚合物特异性识别能力的影响.实验表明,以4-乙烯基吡啶(4-VP)为功能单体,在甲苯溶剂中聚合得到的固相萃取剂对DBT具有较大的吸附富集能力和识别特性.其饱和吸附容量达到48.3mg/g. 相似文献