共查询到18条相似文献，搜索用时 375 毫秒
1.
In this work, support vector classification （SVC） algorithm was used to build structure-activity relationship （SAR） model of the 5-hydroxytryptamine type 3 （5-HT3 ） receptor antagonists with 26 compounds. In a benchmark test, SVC was compared with several techniques of machine learning currently used in the field. The prediction performance of the model was discussed on the basis of the leave-one-out cross-validation. The results show that the accuracy of prediction of SVC model was higher than those of back propagation artificial neural network （BP ANN）, K-nearest neighbor （KNN） and Fisher methods. 相似文献
2.
G. Daniel SHENG 《浙江大学学报(A卷英文版)》2010,11(5):356-362
1-（2-chlorophenyl） ethanol （CPE） is of health and environmental concern due to its toxicity and its use as an intermediate in pharmaceutical manufacturing. The current work deals with the catalytic reductive dechlorination and detoxification of CPE by Pd/Fe bimetal. CPE was effectively dechlorinated to l-phenyl ethanol （PE） accompanied by the equivalent release of chloride. The extent of CPE dechlorination increased with temperature, Fe dosage and Pd loading. A decrease in solution pH increased CPE dechlorination, resulting presumably from an increase in hydrogen production. Under the specific conditions of 20 g/L Pd/Fe, 0.10% Pd （w/w） and initial pH 5-6, the CPE dechlorination was completed within 145 rain. The dechlorination followed a pseudo-first-order kinetics with an activation energy of 56.7 kJ/mol. The results of toxicity testing showed that CPE was very toxic to Chlorella, whereas PE showed little toxicity. The toxicity of the reaction solution declined gradually and the promoting effects on Chlorella intensified consequently with the dechlorination process. Thus, the reductive dechlorination of CPE to PE by Pd/Fe was a detoxification process. It may be used to effectively reduce the toxicological effects of CPE-contaminated wastewater, thereby enhancing the performance of subsequent biological processes in wastewater treatment. 相似文献
3.
The synthesis of calcium formate by Ca(OH)_2 carbonylation was studied in a semi-batch stirred tank.The reaction mechanism was analyzed theoretically and the rate of each step was compared.The influence ofreaction conditions on the formation of calcium formate was investigated.The results indicate that the rate-controlling step is the reaction between dissolved CO and dissolved Ca(OH)_2,and the gaseous diffusion resistance can be eliminated when the stirring speed reached 1000 r/min.Furthermore,the reaction kinetics was studied at a stirring speed of 1000 r/min,temperature of 423–453 K,pressure of 2.0–3.5 MPa and different initial concentrations of Ca(OH)_2.An effective method was proposed to measure the reaction rate of CO.A mathematical model was developed using the dual-film theory,and the parameters were obtained using regression of experimental data.The reaction rates calculated using the kinetics model were compared with experimental data.The results show that the deviations are within ±10%,proving that the established model is valid and can provide a basis for industrial amplification. 相似文献
4.
Qin Guo Wei Zhang Liu-Liu Ma Qi-He Chen Ji-Cheng Chen Hong-Bo Zhang Hui Ruan Guo-Qing He 《Journal of Zhejiang University. Science. B》2010,11(1):41-51
The aim of this work was to construct a novel food-grade industrial arming yeast displaying β-1,3-1,4-glucanase and to evaluate the thermal stability of the glucanase for practical application. For this purpose, a bi-directional vector containing galactokinase (GAL1) and phosphoglycerate kinase 1 (PGK1) promoters in different orientations was constructed. The β-1,3-1,4-glucanase gene from Bacillus subtilis was fused to α-agglutinin and expressed under the control of the GAL1 promoter. α-galactosidase induced by the constitutive PGK1 promoter was used as a food-grade selection marker. The feasibility of the α-galactosidase marker was confirmed by the growth of transformants harboring the constructed vector on a medium containing melibiose as a sole carbon source, and by the clear halo around the transformants in Congo-red plates owing to the expression of β-1,3-1,4-glucanase. The analysis of β-1,3-1,4-glucanase activity in cell pellets and in the supernatant of the recombinant yeast strain revealed that β-1,3-1,4-glucanase was successfully displayed on the cell surface of the yeast. The displayed β-1,3-1,4-glucanase activity in the recombinant yeast cells increased immediately after the addition of galactose and reached 45.1 U/ml after 32-h induction. The thermal stability of β-1,3-1,4-glucanase displayed in the recombinant yeast cells was enhanced compared with the free enzyme. These results suggest that the constructed food-grade yeast has the potential to improve the brewing properties of beer. 相似文献
5.
CFD simulation with enhancement factor of sulfur dioxide absorption in the spray scrubber 总被引：1，自引：1，他引：0
A model describing the absorption process of SO2 into limestone slurry with a spray scrubber is presented. Both the physical performance of the spray liquid in the scrubber and the involved chemical reactions are analyzed in the model. A continuous concentration change ofH＋ was solved by iterative coupling using Matlab, and it was found that there was a remarkable influence on the concentration of the other elements in the process of SO2 absorption. The calculations show that the enhancement factor exponentially grows with an increasing value ofpH and logarithmically decays with an increasing value of the driving force. To verify the accuracy of the model, experiments were also carried out, and the results suggest that the model, after combining the physical performance of the spray and the enhancement factor, can more precisely describe SO2 absorption in a spray scrubber. Furthermore, a commercial computational fluid dynamics （CFD） tool is used to perform several simulations which describe and clarify the effects of variables on SO2 absorption. The results of numerical simulation can provide a basis for further design and optimization of the scrubber. 相似文献
6.
Sewage source heat pump unit operates under partial load most of the time, and study on the law of coefficient of performance (COP) of the unit varying with load ratio can provide basis for the heat pump units running in high efficiency. A mathematical model determining COP, evaporation temperature and condensation temperature of a single unit was proposed. Under the condition of uniform load distribution, the model was established according to different ways of bearing partial load with the same type multiple units but different parallel operation models, and the operation characteristics of units were analyzed as well. Results show that the single screw water-source heat pump can maintain high COP only at 60%—100% load ratio, COP decreases sharply with the decrease of load ratio, and the units with parallel operation are controlled by the load ratio of a single unit according to the reduction of total load which can keep the average COP at high level within a wide load range. 相似文献
7.
You-qun HUANG Rong GOU Yong-shu DIAO Qing-hua YIN Wen-xing FAN Ya-ping LIANG Yi CHEN Min WU Li ZANG Ling LI Jing ZANG Lu CHENG Ping FU Fang LIU 《Journal of Zhejiang University. Science. B》2014,15(1):58-66
Our intent is to examine the predictive role of Charlson comorbidity index （CCI） on mortality of patients with type 2 diabetic nephropathy （DN）. Based on the CCI score, the severity of comorbidity was categorized into three grades： mild, with CCI scores of 1-2; moderate, with CCI scores of 3-4; and severe, with CCI scores 〉5. Factors influencing mortality and differences between groups stratified by CCI were determined by logistical regression analysis and one-way analysis of variance （ANOVA）. The impact of CCI on mortality was assessed by the Kaplan- Meier analysis. A total of 533 patients with type 2 DN were enrolled in this study, all of them had comorbidity （CCI score 〉1）, and 44.7% （238/533） died. The mortality increased with CCI scores： 21.0% （50/238） patients with CCI scores of 1-2, 56.7% （135/238） patients with CCI scores of 3-4, and 22.3% （53/238） patients with CCI scores 〉5. Logistical regression analysis showed that CCI scores, hemoglobin, and serum albumin were the potential predictors of mortality （P〈0.05）. One-way ANOVA analysis showed that DN patients with higher CCI scores had lower levels of hemoglobulin, higher levels of serum creatinine, and higher mortality rates than those with lower CCI scores. The Kaplan-Meier curves showed that survival time decreased when the CCI scores and mortality rates went up. In con- clusion, CCI provides a simple, readily applicable, and valid method for classifying comorbidities and predicting the mortality of type 2 DN. An increased awareness of the potential comorbidities in type 2 DN patients may provide insights into this complicated disease and improve the outcomes by identifying and treating patients earlier and more effectively. 相似文献
8.
The cis and trans isomers separation of2-butene- 1,4-diol and lafutidine were studied by HPLC on two kinds of chiral columns: (S,S)-Whelk-O 1 and ChiraSpher. The isomers of 2-butene-1,4-diol can be separated on both chiral columns while the isomers of lafutidine can only be resolved on ChiraSpher column. The influence of different type and amount of mobile phase modifier on the isomers separation was extensively studied. The resolution of cis and trans isomers of 2-butene-1,4-diol was 2.61 on (S,S)-Whelk-O 1 column with hexane-ethanol (97:3, v/v) as the mobile phase. The resolution of lafutidine was 1.89 on ChiraSpher column with hexane-ethanol-THF-diethylamine (92:3:5:0.1, v/v/v/v) as the mobile phase. LC-MS methods were developed to identify the isomer peaks. 相似文献
9.
Wan-ling HE Ying FENG Xiao-li LI Yan-yan WEI Xiao-e YANG 《Journal of Zhejiang University. Science. B》2008,9(9)
The objective of the present study was to compare the toxicity and availability of Fe(Ⅱ) and Fe(Ⅲ) to Caco-2 cells.Cellular damage was studied by measuring cell proliferation and lactate dehydrogenase (LDH) release. The activities of two major antioxidative enzymes [superoxide dismutase (SOD) and glutathione peroxidase (GPx)] and differentiation marker (alkaline phosphatase) were determined after the cells were exposed to different levels of iron salts. The cellular iron concentration was investigated to evaluate iron bioavailability. The results show that iron uptake of the cells treated with Fe(Ⅱ) is significantly higher than that of the cells treated with Fe(Ⅲ) (P＜0.05). Fe(Ⅱ) at a concentration>1.5 mmol/L was found to be more effective in reducing cellular viability than Fe(Ⅲ). LDH release investigation suggests that Fe(Ⅱ) can reduce stability of the cell membrane. The activities of SOD and GPx of the cells treated with Fe(Ⅱ) were higher than those of the cells treated with Fe(Ⅲ), although both of them increased with raising iron supply levels. The results indicate that both Fe(Ⅱ) and Fe(Ⅲ) could reduce the cellular antioxidase gene expression at high levels. 相似文献
10.
Application of developed Grid-GA distributed hydrologic model in semi-humid and semi-arid basin 总被引：1，自引：0，他引：1
A grid and Green-Ampt based(Grid-GA)distributed hydrologic physical model was developed for flood simulation and forecasting in semi-humid and semi-arid basin. Based on topographical information of each grid cell extracted from the digital elevation model (DEM) and Green-Ampt infiltration method, the Grid-GA model takes into consideration the redistribution of water content, and consists of vegetation and root interception, evapotranspiration, runoff generation via the excess infiltration mechanism, runoff concentration, and flow routing. The downslope redistribution of soil moisture is explicitly calculated on a grid basis, and water exchange among grids within runoff routing along the river drainage networks is taken into consideration. The proposed model and Xin’anjiang model were applied to the upper Lushi basin in the Luohe River, a tributary of the Yellow River, with an area of 4 716 km2 for flood simulation. Results show that both models perform well in flood simulation and can be used for flood forecasting in semi-humid and semi-arid region. 相似文献
11.
新型咪唑啉两性表面活性剂的合成 总被引：1，自引：0，他引：1
李明 《楚雄师范学院学报》2002,17(3):71-72
以十二醇双氧乙烯基乙酸为原料，与二乙三胺反应合成了咪唑啉环，进而合成了乙酸盐型咪唑啉两性表面活性剂，测定了其水溶液的表面张力，起泡性能，临界胶束浓度，讨论了反应条件对表面活性剂性能的影响。 相似文献
12.
1 Introduction The 5-hydroxytryptamine type 3 (5-HT3) receptorantagonists[1-2]are currently used in the treatment ofchemotherapy and radiotherapy induced emesis . Thecompounds are based onthe parent structure showninFig.1 ,the aromatic systems include mono- and bicy-clic rings ,with or without heteroatoms ,and with vari-ous substitution patterns .This range of structural vari-ation makes it difficult to treat the analysis of thesecompounds .Fig .1 Parent structure of 5-HT3antagonists With t… 相似文献
13.
研究了以 １－十八醇和丙二酸二乙酯为原料合成二五十八烷基丙二酸二乙酯，然后用 ＬｉＡｌＨ４还原得到 ２， ２－二正 十八烷基－１，３－丙二醇，再在对甲苯磺酸催化下与β－溴丙醛结合得５，５－二五十八烷基－２－（２－溴乙基）－１，３－二氧 六环。并对产物的重结晶条件进行了研究，产物经元素分析、ＩＲ和１ ＨＮＭＲ光谱表征。 相似文献
14.
报道了显色剂1-（4-硝基苯基）-3-（甲基苯）-三氮烯化合物（NPMT）的合成及其与镉（Ⅱ）的显色反应.在非离子表面活性剂Triton X-100存在下,pH 11.0的Na2B4O7-NaOH的缓冲介质中,该试剂能与镉（Ⅱ）与发生显色反应,形成摩尔比为4∶1的橙黄色配合物,配合物在波长465 nm处有最大吸收峰,表观摩尔吸光系数ε为2.13×106 L·mol-1·cm-1,镉（Ⅱ）浓度在0.08-0.48μg/ml范围内遵守比尔定律.用拟定方法可有效测出不同废水中的镉（Ⅱ）. 相似文献
15.
合成和表征了一个新的吡啶衍生物溴化（E）-1,1′-（六烷-1,6-二甲氨基）二（4-（E）-2-（噻吩基）乙烯基吡啶,这是一种自组装膜合成的中间配体,具有特殊的结构特征和氧化还原性,以其为配体继续合成自组装膜材料,在共价和静电自组装膜研究的领域有很高的研究价值,本文对它的合成、表征及其紫外可见光谱和荧光光谱等的性质作一研究。 相似文献
16.
成功地实现了对酸敏感的（E）-2-（1，3-二硫戊环-2-亚基）-3-羰基-5-芳基4-戊烯酸1与脂肪醇的酯化反应，以较好的产率生成相应的酯3． 相似文献
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18.
找出了方程 (xm - 1) (xmn - 1) =y2 适合x>1,y >1,n>1的所有正整数解 (x ,y ,m ,n) 相似文献