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Evolution of secondary phases and properties of 7B04 aluminum alloy during DC homogenization 被引量:4
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作者 何立子 贾品峰 +1 位作者 张林 崔建忠 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2016年第2期319-327,共9页
The effects of the direct current (DC) on the evolutions of hardness and morphology of the secondary phases in 7B04 aluminum alloy homogenized at 380?465 ℃ for 2 h were investigated in detail by electric conductiv... The effects of the direct current (DC) on the evolutions of hardness and morphology of the secondary phases in 7B04 aluminum alloy homogenized at 380?465 ℃ for 2 h were investigated in detail by electric conductivity measurement, hardness test, X-ray diffraction analysis, field emission scanning electron microscopy and energy dispersive spectrometry. The results show that with increasing temperature from 380 to 465 ℃, the electric conductivity of normal homogenized sample decreases from 34.9%IACS to 28.7%IACS, the hardness increases from HV 96 to HV 146, and the area fraction of secondary phase reduces from 4.5% to 1.89%. While, DC homogenized sample has a higher hardness, a lower electric conductivity and a smaller area fraction of secondary phases at the same temperature. The DC enhances the homogenization process by promoting the diffusibility of the solute atoms and the mobility of vacancy. 展开更多
关键词 7B04 aluminum alloy direct current HOMOGENIZATION HARDNESS secondary phase elemental diffusion
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Quantitative estimation of social stock for metals Al and Cu in China 被引量:5
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作者 岳强 王鹤鸣 陆钟武 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2012年第7期1744-1752,共9页
Social stock for metal determines secondary or recoverable resources to a certain extent.Top-down analysis method for the studying of metal in social stock was given.Influences of metal consumption under three circums... Social stock for metal determines secondary or recoverable resources to a certain extent.Top-down analysis method for the studying of metal in social stock was given.Influences of metal consumption under three circumstances,that is keeping constant,varying in a linear trend and in an exponential trend,on one kind of metal’s social stock,recyclable ratio and average age were analyzed.Al-contents and Cu-contents in social stock for China during the period 2006-2009 were calculated.The results reveal that Al-contents and Cu-contents in social stock kept increasing and reached 88.9 million tons and 51.4 millions tons in 2009,respectively,their average recyclable ratios are 1.45% and 0.30%,and the average ages are 4.65 years and 6.89 years,respectively.The recyclable ratios and average ages of Al-contents and Cu-contents in social stock will rise in future along with the decline of the increasing rate of aluminum consumption and copper consumption. 展开更多
关键词 social stock secondary resource average use life recyclable ratio average age
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Interpolation of near offset using surface-related multiples 被引量:1
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作者 郭书娟 李振春 +2 位作者 仝兆岐 马方正 刘建辉 《Applied Geophysics》 SCIE CSCD 2011年第3期225-232,241,共9页
In this research, we present a seismic trace interpolation method which uses seismic data with surface-related multiples. It is different from conventional seismic data interpolation using information transformation o... In this research, we present a seismic trace interpolation method which uses seismic data with surface-related multiples. It is different from conventional seismic data interpolation using information transformation or extrapolation of adjacent channels for reconstruction of missing seismic data. In this method there are two steps, first, we construct pseudo-primaries by cross-correlation of surface multiple data to extract the missing near- offset information in multiples, which are not displayed in the acquired seismic record. Second, we correct the pseudo-primaries by applying a Least-squares Matching Filter (LMF) and RMS amplitude correction method in time and space sliding windows. Then the corrected pseudo-primaries can be used to fill the data gaps. The method is easy to implement, without the need to separate multiples and primaries. It extracts the seismic information contained by multiples for filling missing traces. The method is suitable for seismic data with surfacerelated multiples. 展开更多
关键词 Surface-related multiples Least-squares Matching Filter RMS amplitude correction seismic interpolation
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Highly efficient Rh(Ⅰ)/tris-H_8-binaphthyl monophosphite catalysts for hydroformylation of dicyclopentadiene to dialdehydes 被引量:4
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作者 Mi Tian Haifeng Li Lailai Wang 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 北大核心 2018年第10期1646-1652,共7页
Novel catalytic systems for the Rh‐catalyzed hydroformylation of dicyclopentadiene have been developed using tris‐H8‐binaphthyl monophosphite as ligands containing different ester substituents at the 2’‐binaphthy... Novel catalytic systems for the Rh‐catalyzed hydroformylation of dicyclopentadiene have been developed using tris‐H8‐binaphthyl monophosphite as ligands containing different ester substituents at the 2’‐binaphthyl position(OCOMe,OCOPh,OCOAdamantyl and OCOPhCl).The catalysts exhibited high activity(S/C=4000,TON=3286)with good to excellent selectivity towards dialdehydes.Remarkably,the Rh(I)complex bearing the ligands with chlorophenyl ester substituents led to 99.9%conversion and 98.7%selectivity for dialdehydes under relatively mild conditions(6 MPa,120°C). 展开更多
关键词 HYDROFORMYLATION DICYCLOPENTADIENE Monophosphite DIALDEHYDE Homogeneous catalysis
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Low-volume plus ascorbic acid vs high-volume plus simethicone bowel preparation before colonoscopy 被引量:24
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作者 Stefano Pontone Rita Angelini +4 位作者 Monica Standoli Gregorio Patrizi Franco Culasso Paolo Pontone Adriano Redler 《World Journal of Gastroenterology》 SCIE CAS CSCD 2011年第42期4689-4695,共7页
AIM: To investigate the effectiveness of low-volume plus ascorbic acid [polyethylene glycol plus ascorbic acid (PEG + Asc)] and high-volume plus simethicone [polyethylene glycol plus simethicone (PEG + Sim)] bo... AIM: To investigate the effectiveness of low-volume plus ascorbic acid [polyethylene glycol plus ascorbic acid (PEG + Asc)] and high-volume plus simethicone [polyethylene glycol plus simethicone (PEG + Sim)] bowel preparations. METHODS: A total of one hundred and forty-four outpatients (76 males), aged from 20 to 84 years (median age 59.5 years), who attended our Department, were divided into two groups, age and sex matched, and underwent colonoscopy. Two questionnaires, one for patients reporting acceptability and the other for endoscopists evaluating bowel cleansing effectiveness according to validated scales, were completed. Indications, timing of examination and endoscopical findings were recorded. Biopsy forceps were used as a measuring tool in order to determine polyp endoscopic sizeestimation. Difficulty in completing the preparation was rated in a 5-point Likert scale (1 = easy to 5 = unable). Adverse experiences (fullness, cramps, nausea, vomiting, abdominal pain, headache and insomnia), number of evacuations and types of activities performed during preparation (walking or resting in bed) were also investigated. RESULTS: Seventy-two patients were selected for each group. The two groups were age and sex matched as well as being comparable in terms of medical history and drug therapies taken. Fourteen patients dropped out from the trial because they did not complete the preparation procedure. Ratings of global bowel cleansing examinations were considered to be adequate in 91% of PEG + Asc and 88% of PEG + Sim patients. Residual Stool Score indicated similar levels of amount and consistency of residual stool; there was a significant difference in the percentage of bowel wall visualization in favour of PEG + Sim patients. In the PEG + Sire group, 12 adenomas≤ 10 mm diameter (5/left colon + 7/right colon) vs 9 (8/left colon + 1/right colon) in the PEG + Asc group were diagnosed. Visualization of small lesions seems to be one of the primary advantages of the PEG + Sim preparation. CONCLUSION: PEG + Asc is a good alternative solution as a bowel preparation but more improvements are necessary in order to achieve the target of a perfect preparation. 展开更多
关键词 Bowel preparation Polyethylene glycol Ascorbic acid COLONOSCOPY SIMETHICONE
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Fabricating multifunctional polymeric nanofilm capable of resisting corrosion and activating copper surface by electrochemical and hydrolysis-condensation approach 被引量:1
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作者 王亚斌 黄玉东 亓玉台 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2016年第11期2947-2959,共13页
A multifunctional polymeric nanofilm of triazinedithiolsilane monosodium salt, which can resist corrosion and activatecopper surface concurrently, was prepared by galvanostatic technique and the following hydrolysis-c... A multifunctional polymeric nanofilm of triazinedithiolsilane monosodium salt, which can resist corrosion and activatecopper surface concurrently, was prepared by galvanostatic technique and the following hydrolysis-condensation approach.Electrochemical tests were carried out to evaluate the resistant ability of nanofilm. The changes of functional groups atop thenanofilms were monitored with Fourier transform infrared spectroscopy (FT-IR) and contact angles (CA) simultaneously. Thechemical composition and the morphology of the polymeric nanofilm were investigated by X-ray photoelectron spectroscopy (XPS)and scanning electron microscope (SEM), respectively. The results reveal that the preferentially developed disulfide units protect thecopper during the whole preparation process, and the subsequently hydrolyzed nanofilms without/with heating shape into newinterface phases bearing the multifunctionality. This multifunctional interface (the polymeric nanofilm on copper surface) opens upthe possibilities for other OH-containing reagents to be anchored onto copper surface in demanding researches or industrialapplications. 展开更多
关键词 copper triazinedithiolsilane galvanostatic technique multifunctional polymeric nanofilm functionalized interface
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Parameter estimation methods in generalized weighted functional mean combining forecasting model
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作者 万玉成 盛昭瀚 《Journal of Southeast University(English Edition)》 EI CAS 2004年第1期117-121,共5页
A kind of combining forecasting model based on the generalized weighted functional mean is proposed. Two kinds of parameter estimation methods with its weighting coefficients using the algorithm of quadratic programmi... A kind of combining forecasting model based on the generalized weighted functional mean is proposed. Two kinds of parameter estimation methods with its weighting coefficients using the algorithm of quadratic programming are given. The efficiencies of this combining forecasting model and the comparison of the two kinds of parameter estimation methods are demonstrated with an example. A conclusion is obtained, which is useful for the correct application of the above methods. 展开更多
关键词 Forecasting Quadratic programming
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Homogeneous boron doping in a TiO_2 shell supported on a TiB_2 core for enhanced photocatalytic water oxidation 被引量:1
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作者 Yongqiang Yang Yuyang Kang +1 位作者 Gang Liu Hui‐Ming Cheng 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 北大核心 2018年第3期431-437,共7页
Photocatalytic water oxidation for O2evolution is known as a bottle neck in water splitting.Various strategies have been conducted to keep the energetics of photogenerated holes or to create more holes in the bulk to ... Photocatalytic water oxidation for O2evolution is known as a bottle neck in water splitting.Various strategies have been conducted to keep the energetics of photogenerated holes or to create more holes in the bulk to reach the surface for efficient photocatalytic water oxidation.Our previous study demonstrated the effectiveness of interstitial boron doping in improving photocatalytic water oxidation by lowering the valence band maximum of TiO2with a concentration gradient of boron.In this study,homogeneous doping of interstitial boron was realized in a TiO2shell with mixed anatase/rutile phases that was produced by the gaseous hydrolysis of the surface layer of TiB2crystals in a moist argon atmosphere.Consequently,the homogeneous doping and lowered valence band maximum improved the energetics of holes for efficient photocatalytic water oxidation. 展开更多
关键词 PHOTOCATALYSIS O2 evolution TiO2 Homogenous doping
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Heterogeneous interfacial engineering of Pd/TiO2 with controllable carbon content for improved direct synthesis efficiency of H2O2 被引量:3
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作者 Wei Yan Rui Sun +5 位作者 Meng Li Licheng Li Zhuhong Yang Zelin Hua Xiaohua Lu Chang Liu 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 北大核心 2020年第2期312-321,共10页
Series of heterogeneous interfacial engineered TiO2(C-TiO2) with controllable carbon content were facilely synthesized by incipient-wet impregnation using glucose and subsequent thermal carbonization. The obtained C-T... Series of heterogeneous interfacial engineered TiO2(C-TiO2) with controllable carbon content were facilely synthesized by incipient-wet impregnation using glucose and subsequent thermal carbonization. The obtained C-TiO2 were used as catalytic supports to load Pd nanoparticles for H2 O2 direct synthesis from H2 and O2. The as-prepared samples were systematically studied by transmission electron microscopy(TEM), X-ray photoelectron spectroscopy(XPS), air isothermal microcalorimeter, temperature-programmed reduction of H2(H2-TPR), and so on. The catalytic results showed that H2 O2 productivity and H2O2 selectivity of Pd/C-TiO2 firstly rose with increasing carbon content and then declined. Pd/C-TiO2 catalyst with 1.89 wt% of carbon content showed the best catalytic performance that had 61.2% of selectivity and 2192 mmol H2O2/g Pd/h of productivity, which were significantly better than those of pristine Pd/TiO2(45.2% and 1827 mmol H2O2/g Pd/h). Various characterization results displayed that the carbon species were heterogeneously dispersed on TiO2 surface. Moreover, no obvious geometric transformation in supports and Pd nanoparticles were observed among different catalysts. The superficial hydrophobicity of Pd/C-TiO2 was gradually promoted with increasing carbon content, which led to the corresponding decrease in adsorption energy of H2O2 with catalysts. According to structure-performance relationship analyses, the heterogeneous interfacial engineering of carbon could maintain the interaction of Pd nanoparticles with TiO2 and simultaneously accelerate the H2O2 desorption. Both factors further determined the excellent H2O2 direct synthesis performance of Pd/C-TiO2. 展开更多
关键词 Direct synthesis of H2O2 TiO2 CARBON Heterogeneous interfacial engineering PD
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Is percutaneous endoscopic gastrostomy tube placement safe in patients with ventriculoperitoneal shunts? 被引量:2
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作者 Jin-Soo Kim Yong-Wan Park +4 位作者 Hyung-Keun Kim Young-Seok Cho Sung-Soo Kim Na-Ri Youn Hiun-Suk Chae 《World Journal of Gastroenterology》 SCIE CAS CSCD 2009年第25期3148-3152,共5页
AIM:To investigate whether percutaneous endoscopic gastrostomy (PEG) tube placement is safe in patients with ventriculoperitoneal (VP) shunts.METHODS: This was a retrospective study of all patients undergoing PEG inse... AIM:To investigate whether percutaneous endoscopic gastrostomy (PEG) tube placement is safe in patients with ventriculoperitoneal (VP) shunts.METHODS: This was a retrospective study of all patients undergoing PEG insertion at our institution between June 1999 and June 2006. Post-PEG complications were compared between two groups according to the presence or absence of VP shunts. VP shunt infection rates, the interval between PEG placement and VP shunt catheter insertion, and long-term follow-up were also investigated.RESULTS: Fifty-five patients qualified for the study. Seven patients (12.7%) had pre-existing VP shunts. All patients received prophylactic antibiotics. The complication rate did not differ between VP shunt patients undergoing PEG (PEG/VP group) and non-VP shunt patients undergoing PEG (control group) [1 (14.3%) vs 6 (12.5%), P=1.000]. All patients in the PEG/VP group had undergone VP shunt insertion prior to PEG placement. The mean interval between VP shunt insertion and PEG placement was 308.7 d (range, 65-831 d). The mean follow-up duration in the PEG/VP group was 6.4 mo (range, 1-15 mo). There were no VP shunt infections, although one patient in the PEG/VP group developed a minor peristomal infection during follow-up.CONCLUSION: Complications following PEG placement in patients with VP shunts were infrequent in this study. 展开更多
关键词 Percutaneous endoscopic gastrostomy Ventriculoperitoneal shunt COMPLICATION Ventriculo- peritoneal shunt infection Prophylactic antibiotic
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Origin Distribution Patterns and Floating Population Modeling:Yiwu City as a Destination 被引量:3
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作者 LI Hongsheng WANG Yingjie HAN Jiafu 《Chinese Geographical Science》 SCIE CSCD 2012年第3期367-380,共14页
Existing quantitative migration studies are mainly at the inter-region or inter-province level for lacking of detailed geo-referenced migration data.Meanwhile,few of them integrate explorative spatial data analysis an... Existing quantitative migration studies are mainly at the inter-region or inter-province level for lacking of detailed geo-referenced migration data.Meanwhile,few of them integrate explorative spatial data analysis and spatial regression model into migration analysis.Based on aggregated registered floating population data from 2005 to 2008,the phenomena that population floating to Yiwu City in Zhejiang Province is analyzed at the provincial and county levels.The spatial layout of Yiwu's pull forces is proved as a V-shaped pattern excluding Sichuan Province based on map visualization method.Using the migration ratio in 2007 as an explanatory variable,two models are compared using ordinary least square,spatial error model and spatial lag model methods for county-level data in Jiangxi and Anhui provinces.The model with migration stock provides an improved fitting over the model without migration stock according to the model fitting results.The floating population flocking into Yiwu City from Jiangxi is determined mostly by migration stock while the determinant factors are migration stock and distance to Yiwu City for Anhui.The distance-decay effect is true for migration flow from Anhui to Yiwu City while the distance rule is not confirmed in Jiangxi with the best fitting model.The correlation between per capita net income of rural labor forces and migration ratio is not significant in Jiangxi and significant but at the 0.1 level only in Anhui.Further analysis shows that the distance,income and man-land ratio are important factors to explain population floating at earlier stage.However,as the dynamic population floating process evolves,the determinant factor would be migration stock. 展开更多
关键词 floating population origin distribution visualization spatial regression model Yiwu City GIS
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Direct Synthesis of Diphenyl Carbonate with Heterogeneous Catalyst and Optimal Synthesis Conditions of the Support Prepared by Sol-gel Method 被引量:10
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作者 郭红霞 陈红萍 +3 位作者 梁英华 芮玉兰 吕敬德 付占达 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2008年第2期223-227,共5页
The support of catalyst for the direct synthesis of diphenyl carbonate (DPC) by heterogeneous catalytic reaction was prepared by the sol-gel method. Compared with activated charcoal, molecular sieve, porous ceramics... The support of catalyst for the direct synthesis of diphenyl carbonate (DPC) by heterogeneous catalytic reaction was prepared by the sol-gel method. Compared with activated charcoal, molecular sieve, porous ceramics, hopcalite, the support prepared by the sol-gel method has higher activity. The characterization of the support by X-ray diffraction (XRD) and transmission electron microscope (TEM) show that the mare crystal phase is Co2MnO4 and the average particle diameter is about 40 nm. The optimum conditions for synthesis of the support were determined by orthogonal experiments, which indicate that the proportion of Cu, Mn, and Co is the first important factor influencing the yield and selectivity of DPC. Temperature of calcination is the second one. The optimum conditions are: molar proportion of Cu, Mn, and Co being 1 : 1 : 1, temperature of calcination 700℃, drying at 100~C, temperature of water bath 85~C. The yield and selectivity of DPC in the process can reach 38% and 99% in the batch operation, respectively. The copper cobalt manganese mixed oxides chosen as the support contribute more to the high catalytic activity than the sol-gel method. 展开更多
关键词 diphenyl carbonate heterogeneous catalyst sol-gel method optimum condition
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Preparation and growth mechanism of plate-like basic magnesium carbonate by template-mediated/homogeneous precipitation method 被引量:6
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作者 CHEN Juan HUANG Zhi-liang +2 位作者 CHEN Chang-lian LI Wen-zhao XU Wei-rong 《Journal of Central South University》 SCIE EI CAS CSCD 2018年第4期729-735,共7页
In order to expand the application of the basic magnesium carbonate in the field of flame retardant,the plate-like basic magnesium carbonate(Mg5(CO3)4(OH)2.4H2O)was prepared successfully by template-mediated/homogeneo... In order to expand the application of the basic magnesium carbonate in the field of flame retardant,the plate-like basic magnesium carbonate(Mg5(CO3)4(OH)2.4H2O)was prepared successfully by template-mediated/homogeneous precipitation method,using magnesium chloride hexahydrate(MgCl2.6H2O)and urea(CO(NH2)2)as reaction materials.Phase and morphology of the product were characterized by X-ray diffraction(XRD),scanning electron microscope(SEM)and atomic force microscope(AFM),respectively.The results showed that well-crystallized plate-like Mg5(CO3)4(OH)2.4H2O can be prepared at the water bath temperature of 100°C,water bath time of 24 h,the aging time of 5 h after adding organic template agent.The investigation on organic template mediated mechanism shows that the template affects the crystal morphology by changing surface energy of different crystal plane.Through a preliminary study on the growth mechanism of the product,it is found that the generation of the plate-like Mg5(CO3)4(OH)2.4H2O could be explained by two-dimensional nucleation/step growth mechanism. 展开更多
关键词 plate-like basic magnesium carbonate template-mediated/homogeneous precipitation two-dimensional nucleation step growth
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Lewis base-assisted Lewis acid-catalyzed selective alkene formation via alcohol dehydration and synthesis of 2-cinnamyl-1,3-dicarbonyl compounds from 2-aryl-3,4-dihydropyrans
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作者 刘昌会 潘彬 顾彦龙 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 北大核心 2016年第6期979-986,共8页
Acid-catalyzed dehydration of alcohols has been widely employed for the synthesis of alkenes. However, activated alcohols when employed as substrates in dehydration reactions are often pla-gued by the lack of alkene s... Acid-catalyzed dehydration of alcohols has been widely employed for the synthesis of alkenes. However, activated alcohols when employed as substrates in dehydration reactions are often pla-gued by the lack of alkene selectivity. In this work, the reaction system can be significantly improved through enhancing the performance of Lewis acid catalysts in the dehydration of activated alcohols by combining with a Lewis base. Observations of the reaction mechanism revealed that the Lewis base component might have changed the reaction rate order. Although both the principal and side reaction rates decreased, the effect was markedly more observed on the latter reaction. Therefore, the selectivity of the dehydration reaction was improved. On the basis of this observation, a new route to synthesize 2-cinnamyl-1,3-dicarbonyl compounds was developed by using 2-aryl-3,4- di-hydropyran as a starting substrate in the presence of a Lewis acid/Lewis base combined catalyst system. 展开更多
关键词 Synergistic catalysis Acid-base catalysis Dehydration of alcohol 2-Cinnamyl-1 3-dicarbonyl compound Homogeneous catalysis
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Human thrombin for the treatment of gastric and ectopic varices 被引量:12
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作者 Norma C McAvoy John N Plevris Peter C Hayes 《World Journal of Gastroenterology》 SCIE CAS CSCD 2012年第41期5912-5917,共6页
AIM:To evaluate the efficacy of human thrombin in the treatment of bleeding gastric and ectopic varices.METHODS:Retrospective observational study in a Tertiary Referral Centre.Between January 1999-October 2005,we iden... AIM:To evaluate the efficacy of human thrombin in the treatment of bleeding gastric and ectopic varices.METHODS:Retrospective observational study in a Tertiary Referral Centre.Between January 1999-October 2005,we identified 37 patients who were endoscopically treated with human thrombin injection therapy for bleeding gastric and ectopic varices.Patient details including age,gender and aetiology of liver disease/segmental portal hypertension were documented.The thrombin was obtained from the Scottish National Blood Transfusion Service and prepared to give a solution of 250 IU/mL which was injected via a standard injection needle.All patient case notes were reviewed and the total dose of thrombin given along with the number of endoscopy sessions was recorded.Initial haemostasis rates,rebleeding rates and mortality were catalogued along with the incidence of any immediate complications which could be attributable to the thrombin therapy.The duration of follow up was also listed.The study was conducted according to the United Kingdom research ethics guidelines.RESULTS:Thirty-seven patients were included.33 patients(89%) had thrombin(250 U/mL) for gastric varices,2(5.4%) for duodenal varices,1 for rectal varices and 1 for gastric and rectal varices.(1) Gastric varices,an average of 15.2 mL of thrombin was used per patient.Re-bleeding occurred in 4 patients(10.8%),managed in 2 by a transjugular intrahepatic portosystemic shunt(TIPSS)(one unsuccessfully who died) and in other 2 by a distal splenorenal shunt;(2) Duodenal varices(or type 2 isolated gastric varices),an average of 12.5 mL was used per patient over 2-3 endoscopy sessions.Re-bleeding occurred in one patient,which was treated by TIPSS;and(3) Rectal varices,an average of 18.3 mL was used per patient over 3 endoscopy sessions.No re-bleeding occurred in this group.CONCLUSION:Human thrombin is a safe,easy to use and effective therapeutic option to control haemorrhage from gastric and ectopic varices. 展开更多
关键词 Variceal haemorrhage Ectopic Varices Gastric varices Portal hypertension THROMBIN
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Mean Residence Time of CO2 Molecules in Flexible ZIF-8 Cages Explored by Molecular Dynamics Simulations 被引量:2
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作者 Zhen Yang Lian Liu +2 位作者 Tian Gui Rong-fei Zhou Xiang-shu Chen 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2013年第5期553-557,I0003,共6页
The adsorption sites and diffusion mechanism of CO2 molecules in the flexible Zn(MeIM)2 (MeIM=2-methylimidazole) (ZIF-8) have been investigated by grand canonical Monte Carlo and molecular dynamics simulations. ... The adsorption sites and diffusion mechanism of CO2 molecules in the flexible Zn(MeIM)2 (MeIM=2-methylimidazole) (ZIF-8) have been investigated by grand canonical Monte Carlo and molecular dynamics simulations. A reasonable time correlation function is for the first time constructed to explore the mean residence time of CO2 molecules in the ZIF-8 cages, suggesting that C02 molecules can remain in the same cage for up to several tens of picoseconds. Furthermore, we find that the mean residence time almost linearly increases with the increasing pressure (or loading) at 273 and 298 K. 展开更多
关键词 DIFFUSION Adsorption Carbon dioxide Zeolitic imidazolate frameworks Molecular dynamics simulation
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Stochastic Huge-Resonance Caused by Coupling for a Globally Coupled Linear System 被引量:1
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作者 LI Jing-Hui 《Communications in Theoretical Physics》 SCIE CAS CSCD 2009年第2期265-269,共5页
In the paper, we investigate a globally coupled linear system with finite subunits subject to temporal periodic force and with multiplicative dichotomous noise. It is shown that, the global coupling among the subunits... In the paper, we investigate a globally coupled linear system with finite subunits subject to temporal periodic force and with multiplicative dichotomous noise. It is shown that, the global coupling among the subunits can hugely enhance the phenomenon of SR for the amplitude of the average mean field as the functions of the transition rate of the noise and that as the function of the frequency of the signal respectively. 展开更多
关键词 stochastic resonance globally coupled linear system dichotomous noise
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Mn-corrolazine-based 2D-nanocatalytic material with single Mn atoms for catalytic oxidation of alkane to alcohol 被引量:2
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作者 Chun Zhu Jin-Xia Liang +2 位作者 Yang Meng Jian Lin Zexing Cao 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 2021年第6期1030-1039,共10页
Heterogenization of organic-macrocyclic metal catalysts is one of the simplest and most efficient methods for effective separation of products and cyclic application of a catalyst.By using an environmentally friendly ... Heterogenization of organic-macrocyclic metal catalysts is one of the simplest and most efficient methods for effective separation of products and cyclic application of a catalyst.By using an environmentally friendly Mn-corrolazine catalyst as the building unit,which can directly oxidize organic substrates under oxygen atmosphere and mild conditions,we theoretically constructed a novel two-dimensional(2D)Mn-corrolazine nanocatalytic material with high catalytic activity.In this material,each Mn atom maintains its electronic configuration in the monomer and can directly activate O2 as the single-atom catalyst(SAC)center to form a radical-like[Mn]-O-O under mild visible-light irradiation conditions.The newly generated[Mn]–O–O can efficiently and selectively oxidize C–H bonds to form alcohol species through H-abstraction and the rebound reaction.Moreover,the catalytic reaction is easily regulated by an external electric field along its intrinsic Mn–O–O reaction axis.The current study provides a theoretical foundation for further experimental studies and practical applications of the Mn-corrolazine-based SAC. 展开更多
关键词 Single-atom catalyst HETEROGENIZATION Two-dimensional nanomaterials First-principles calculations C–H bond activation
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A Methodology for Producing Uniform Distribution of UO2 in a Tungsten Matrix 被引量:2
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作者 Dennis S. Tucker Andrew O'Connor Robert Hickman 《Journal of Physical Science and Application》 2015年第4期255-262,共8页
We report a method to produce a uniform mixture of uranium dioxide spherical particles in a tungsten matrix. This method involves mixing 0.5 weight percent of high density polyethylene binder with 60 volume percent ur... We report a method to produce a uniform mixture of uranium dioxide spherical particles in a tungsten matrix. This method involves mixing 0.5 weight percent of high density polyethylene binder with 60 volume percent uranium dioxide spheres and 40 volume percent tungsten powders. Initially, hafnium oxide spheres were used as a surrogate for uranium dioxide spheres. The HfO2/W/PE powders were thoroughly mixed in a Turbula, then mixed on a hot plate above the drop point of the binder. These powders were then densified using spark plasma sintering. Microstructure was evaluated using scanning electron microscopy, density was measured and hardness measurements were made. Initial carbon content of the powders were measured and carbon content of the sintered materials was measured. Subsequently, W/UO2/Binder powders were mixed using the same methodology to ensure the process could be used for this system. These powders were sintered using hot isostatic pressing and microstructures evaluated. The resultant microstructures contained uniform distribution of HfO2 and UO2 particles in the tungsten matrix with very low carbon content. 展开更多
关键词 Nuclear propulsion TUNGSTEN depleted uranium oxide hafnium oxide powder processing spark plasma sintering.
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Direct carbon dioxide hydrogenation to produce bulk chemicals and liquid fuels via heterogeneous catalysis 被引量:5
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作者 Zixuan Zhou Peng Gao 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 2022年第8期2045-2056,共12页
The hydrogenation of carbon dioxide(CO_(2))to produce chemicals and transportation liquid fuels in huge demand via heterogeneous thermochemical catalysis achieved using renewable energy has received increasing attenti... The hydrogenation of carbon dioxide(CO_(2))to produce chemicals and transportation liquid fuels in huge demand via heterogeneous thermochemical catalysis achieved using renewable energy has received increasing attention,and substantial advances have been made in this research field in recent years.In this study,we summarize our progress in the rational design and construction of highly efficient catalysts for CO_(2) hydrogenation to methanol,lower olefins,aromatics,and gasolineand jet fuel-range hydrocarbons.The structure‐performance relationship,nature of the active sites,and mechanism of the reactions occurring over these catalysts are explored by combining computational and experimental evidence.The results of this study will promote further fundamental studies and industrial applications of heterogeneous catalysts for CO_(2) hydrogenation to produce bulk chemicals and liquid fuels. 展开更多
关键词 Carbon dioxide hydrogenation Heterogeneous catalysis Coupling reaction Rational design Reaction mechanism
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