本文介绍寻找化学反应最佳路线的计算机程序OPS(Optimum Pathway of Synthcsis)。它由主程序cops 1.pro和知识库dops.dat两个独立文件组成,前者执行正向和逆向搜索并有输入输出功能,后者提供化学反应经验事实。程序用编译型人工智能语言...本文介绍寻找化学反应最佳路线的计算机程序OPS(Optimum Pathway of Synthcsis)。它由主程序cops 1.pro和知识库dops.dat两个独立文件组成,前者执行正向和逆向搜索并有输入输出功能,后者提供化学反应经验事实。程序用编译型人工智能语言TURBO PROLOG编写,可作为进一步开发有机合成设计专家系统的雏形。展开更多
This study is for investigating the direct electro-deoxidation of mixed TiO2-Mn02 powder to prepare TiMn2 alloy in molten calcium chloride. The influences of process parameters, such as sintering temperature, cell vol...This study is for investigating the direct electro-deoxidation of mixed TiO2-Mn02 powder to prepare TiMn2 alloy in molten calcium chloride. The influences of process parameters, such as sintering temperature, cell voltage, and electrolysis time, on the electrolysis process were examined to investigate the mechanism of alloy formation. The composition and morphology of the products were analyzed by XRD and SEM, respectively. The electrochemical property of TiMn2 alloy was investigated by cyclic voltammetry measurements. The results show that pure TiMn2 can be prepared by direct electrochemical reduction of mixed TiO2/Mn02 pellets at a voltage of 3.1 V in molten calcium chloride of 900 ℃ for 7 h. The electro-deoxidation proceeds from the reduction of manganese oxides to Mn, which is reduced by Ti02 or CaTiOB to form TiMn2 alloy. The cyclic voltammetry measurements using pow- der microelectTode show that the prepared TiMn2 alloy has good electrochemical hydrogen storage property.展开更多
In the current modem society, information technology enjoys rapid development and information resources increase sharply. In this context, information literacy has been an important indicator for assessing a talent's...In the current modem society, information technology enjoys rapid development and information resources increase sharply. In this context, information literacy has been an important indicator for assessing a talent's comprehensive quality. As a compulsory public course for college students not majoring in computers, computer basic course plays a significant role in cultivating college students' information literacy. However, how to improve contemporary college students' information literacy, facilitate the teaching reform in fundamental computer education, and effectively improve college students' capacities of solving problems with computers is a difficult question faced by fundamental computer education in colleges and universities展开更多
A recent study has revealed a full 3-dimentional reactive scattering picture of the reaction CI+CHD3(v1=1) as the C1 atoms attack CHD3 from various directions respective to the C-H stretching bond. The reported pol...A recent study has revealed a full 3-dimentional reactive scattering picture of the reaction CI+CHD3(v1=1) as the C1 atoms attack CHD3 from various directions respective to the C-H stretching bond. The reported polarization-dependent differential cross sections provide the most detailed characterization of the influences of reagent alignments on reactivity. To convey the stereo-specific information more accessible to general chemists, we show here, by proper symmetry considerations, how to retrieve from the measurements the relative integral and differential cross sections of two most common collision geometries: the end-on versus side-on attacks. The results, albeit coarse-grained, provide an appealing picture that not only reinforces our intuition about chemical reactivity, but also sheds more light on the conventional (unpolarized) attributes.展开更多
A reduced graphene oxide/Ni(OH)2 composite with excellent supercapacitive performance was synthesized by a facile hydrothermal route without organic solvents or templates used.XRD and SEM results reveal that the nicke...A reduced graphene oxide/Ni(OH)2 composite with excellent supercapacitive performance was synthesized by a facile hydrothermal route without organic solvents or templates used.XRD and SEM results reveal that the nickel hydroxide,which crystallizes into hexagonal β-Ni(OH)2 nanoflakes with a diameter less than 200 nm and a thickness of about 10 nm,is well combined with the reduced graphene oxide sheets.Electrochemical performance of the synthesized composite as an electrode material was investigated by cyclic voltammetry,electrochemical impedance spectroscopy and galvanostatic charge/discharge measurements.Its specific capacitance is determined to be 1672 F/g at a scan rate of 2 mV/s,and 696 F/g at a high scan rate of 50 mV/s.After 2000 cycles at a current density of 10 A/g,the composite exhibits a specific capacitance of 969 F/g,retaining about 86% of its initial capacitance.The composite delivers a high energy density of 83.6 W·h/kg at a power density of 1.0 kW/kg.The excellent supercapacitive performance along with the easy synthesis method allows the synthesized composite to be promising for supercapacitor applications.展开更多
Objective:Cetuximab combined with chemotherapy has been used to treat non-small cell lung cancer (NSCLC) in recent years, most of them were first line setting.This study was to summarize our experiences in treating NS...Objective:Cetuximab combined with chemotherapy has been used to treat non-small cell lung cancer (NSCLC) in recent years, most of them were first line setting.This study was to summarize our experiences in treating NSCLC patients with cetuximab in the non-first line setting.Methods:From October 1st 2006 to December 31st 2009, six NSCLC patients were treated with cetuximab combined standard chemotherapy as non-first line setting in Sun Yat-sen University Cancer Center, China.The short-term efficacies and safeties were analyzed.Results:1.A total of 18 cycles of cetuximab treatment, with a median of two cycles in the whole group.2.There were 6 patients treated as non-first line setting, overall response rate (ORR) was 33.3% (2/6), disease control rate (DCR) was 33.3% (2/6), median time to progression (TTP) was 3.5 (3-4) months, and median OS was 18 (4-28) months.3.There were 50% (3/6) patients occurred acne-like rash within three weeks, their ORR was 66.7% (2/3), and DCR was 66.7% (2/3), however, both of ORR and DCR in patients who didn't occurred acne-like rash were 0% (0/3), the differences of ORR, DCR between two groups were in significant different (P=0.143).4.There was no treatment-associated death and no cetuximab-associated discontinuation.The incidence of acne-like rash was 50% occurred within three weeks, there were two patients suffered side effects associated with chemotherapy.Conclusion:The data of cetuximab application in non-first line setting for patients with NSCLC were rare, and the addition of cetuximab in those population was safe.展开更多
Block copolymers can yield a diverse array of nanostructures.Their assembly structures are influenced by their inherent structures,and the wide variety of structures that can be prepared especially becomes apparent wh...Block copolymers can yield a diverse array of nanostructures.Their assembly structures are influenced by their inherent structures,and the wide variety of structures that can be prepared especially becomes apparent when one considers the number of routes available to prepare block copolymer assemblies.Some examples include self-assembly,directed assembly,coupling,as well as hierarchical assembly,which can yield assemblies having even higher structural order.These assembly routes can also be complemented by processing techniques such as selective crosslinking and etching,the former technique leading to permanent structures,the latter towards sculpted and the combination of the two towards permanent sculpted structures.The combination of these pathways provides extremely versatile routes towards an exciting variety of architectures.This review will attempt to highlight destinations reached by LIU Guojun and coworkers following these pathways.展开更多
Syngas conversion to fuels and chemicals is one of the most challenging subjects in the field of C1 chemistry. It is considered as an attractive alternative non-petroleum-based production route. The direct synthesis o...Syngas conversion to fuels and chemicals is one of the most challenging subjects in the field of C1 chemistry. It is considered as an attractive alternative non-petroleum-based production route. The direct synthesis of olefins and alcohols as high value-added chemicals from syngas has drawn particular attention due to its process simplicity, low energy consumption and clean utilization of carbon resource, which conforms to the principles of green carbon science. This review describes the recent advances for the direct production of lower olefins and higher alcohols via syngas conversion. Recent progress in the development of new catalyst systems for enhanced catalytic performance is highlighted. We also give recommendations regarding major challenges for further research in syngas conversion to various chemicals.展开更多
Using NH4 I as the supporting electrolyte as well as the precursor of an I2 promoter and nitrogen source, a highly efficient electrochemical route was developed to convert aldehydes to nitriles with excellent yields u...Using NH4 I as the supporting electrolyte as well as the precursor of an I2 promoter and nitrogen source, a highly efficient electrochemical route was developed to convert aldehydes to nitriles with excellent yields under mild reaction conditions. This electrochemical process could effectively avoid the direct use of NH3 gas, molecular iodine, and oxidants.展开更多
With the depletion of fossil resources, there is a need to find alternative resources of fuels and chemicals. The use of renewable feedstock such as those from seed oil processing is one of the best available resource...With the depletion of fossil resources, there is a need to find alternative resources of fuels and chemicals. The use of renewable feedstock such as those from seed oil processing is one of the best available resources that have come to the fore-front recently. This paper critically analyzes and highlights major factors in the biodiesel industry, such as seeds oil composition, production methods, properties of biodiesel, problems and potential solutions of using vegetable seed oil, the composition, quality and effective utilization of crude glycerol, the catalytic conversion of glycerol into possible fuels and chemicals.展开更多
Anodic particle coulometry (APC) is a recently established method of sizing individual metal nanoparticles by oxidising them during their impact on a micro electrode. Here it is demonstrated that the application of ...Anodic particle coulometry (APC) is a recently established method of sizing individual metal nanoparticles by oxidising them during their impact on a micro electrode. Here it is demonstrated that the application of APC can be extended to sizing of metal oxide nanoparticles, such as Fe304 magnetite nanoparticles. Additionally, a new route to electrochemical nanoparticle sizing is introduced-- cathodic particle coulometry (CPC). This method uses the reduction of impacting nanoparticles, e.g., metal oxide nanoparticles, and is demonstrated to yield correct size information for Fe304 nanoparticles. The combination of these two independent electrochemical methods of nanoparticle sizing, allows for purely electrochemical sizing of single nanoparticles and simultaneous verification of the obtained results.展开更多
To meet the rising demand of graphene in electronics and optoelectronics, developing an efficient synthesis strategy for effective control of the layer thickness is highly necessary. Herein, we report the synthesis of...To meet the rising demand of graphene in electronics and optoelectronics, developing an efficient synthesis strategy for effective control of the layer thickness is highly necessary. Herein, we report the synthesis of strictly single- layer graphene on the foil of an early transition metal, tungsten (W), via a simple chemical vapor deposition route. The cracking of hydrocarbons is facilitated by the catalytically active metal surface of W, while the subsequent two-dimensional growth is mediated by the carbide-forming ability within the underlying bulk, leading to the formation of uniform monolayer graphene. The as-grown graphene layers can be transferred onto target substrates rapidly through the recently developed electrochemical method, which also allows for reuse of the substrates at least five times without introducing quality deteriora- tion. Moreover, considering the refractory nature of W foils, a complementary component of nickel is added, by means of which the growth temperature of graphene can be significantly reduced. In brief, a highly-efficient and low-cost synthesis route has been developed for the growth of graphene towards large-area uniformity, single-layer thickness and high crystalline quality.展开更多
基金Supported by the National Natural Science Foundation of China(51201058)the Natural Science Foundation of Hebei Province(E2014209009)
文摘This study is for investigating the direct electro-deoxidation of mixed TiO2-Mn02 powder to prepare TiMn2 alloy in molten calcium chloride. The influences of process parameters, such as sintering temperature, cell voltage, and electrolysis time, on the electrolysis process were examined to investigate the mechanism of alloy formation. The composition and morphology of the products were analyzed by XRD and SEM, respectively. The electrochemical property of TiMn2 alloy was investigated by cyclic voltammetry measurements. The results show that pure TiMn2 can be prepared by direct electrochemical reduction of mixed TiO2/Mn02 pellets at a voltage of 3.1 V in molten calcium chloride of 900 ℃ for 7 h. The electro-deoxidation proceeds from the reduction of manganese oxides to Mn, which is reduced by Ti02 or CaTiOB to form TiMn2 alloy. The cyclic voltammetry measurements using pow- der microelectTode show that the prepared TiMn2 alloy has good electrochemical hydrogen storage property.
文摘In the current modem society, information technology enjoys rapid development and information resources increase sharply. In this context, information literacy has been an important indicator for assessing a talent's comprehensive quality. As a compulsory public course for college students not majoring in computers, computer basic course plays a significant role in cultivating college students' information literacy. However, how to improve contemporary college students' information literacy, facilitate the teaching reform in fundamental computer education, and effectively improve college students' capacities of solving problems with computers is a difficult question faced by fundamental computer education in colleges and universities
文摘A recent study has revealed a full 3-dimentional reactive scattering picture of the reaction CI+CHD3(v1=1) as the C1 atoms attack CHD3 from various directions respective to the C-H stretching bond. The reported polarization-dependent differential cross sections provide the most detailed characterization of the influences of reagent alignments on reactivity. To convey the stereo-specific information more accessible to general chemists, we show here, by proper symmetry considerations, how to retrieve from the measurements the relative integral and differential cross sections of two most common collision geometries: the end-on versus side-on attacks. The results, albeit coarse-grained, provide an appealing picture that not only reinforces our intuition about chemical reactivity, but also sheds more light on the conventional (unpolarized) attributes.
基金Project(KJ2012A045) supported by the Natural Science Foundation of Education Commission of Anhui Province,China
文摘A reduced graphene oxide/Ni(OH)2 composite with excellent supercapacitive performance was synthesized by a facile hydrothermal route without organic solvents or templates used.XRD and SEM results reveal that the nickel hydroxide,which crystallizes into hexagonal β-Ni(OH)2 nanoflakes with a diameter less than 200 nm and a thickness of about 10 nm,is well combined with the reduced graphene oxide sheets.Electrochemical performance of the synthesized composite as an electrode material was investigated by cyclic voltammetry,electrochemical impedance spectroscopy and galvanostatic charge/discharge measurements.Its specific capacitance is determined to be 1672 F/g at a scan rate of 2 mV/s,and 696 F/g at a high scan rate of 50 mV/s.After 2000 cycles at a current density of 10 A/g,the composite exhibits a specific capacitance of 969 F/g,retaining about 86% of its initial capacitance.The composite delivers a high energy density of 83.6 W·h/kg at a power density of 1.0 kW/kg.The excellent supercapacitive performance along with the easy synthesis method allows the synthesized composite to be promising for supercapacitor applications.
基金Supported by a grant of Major Science and Technology Project of "National Significant New Drug Creation" (No.2008ZX09312-002)
文摘Objective:Cetuximab combined with chemotherapy has been used to treat non-small cell lung cancer (NSCLC) in recent years, most of them were first line setting.This study was to summarize our experiences in treating NSCLC patients with cetuximab in the non-first line setting.Methods:From October 1st 2006 to December 31st 2009, six NSCLC patients were treated with cetuximab combined standard chemotherapy as non-first line setting in Sun Yat-sen University Cancer Center, China.The short-term efficacies and safeties were analyzed.Results:1.A total of 18 cycles of cetuximab treatment, with a median of two cycles in the whole group.2.There were 6 patients treated as non-first line setting, overall response rate (ORR) was 33.3% (2/6), disease control rate (DCR) was 33.3% (2/6), median time to progression (TTP) was 3.5 (3-4) months, and median OS was 18 (4-28) months.3.There were 50% (3/6) patients occurred acne-like rash within three weeks, their ORR was 66.7% (2/3), and DCR was 66.7% (2/3), however, both of ORR and DCR in patients who didn't occurred acne-like rash were 0% (0/3), the differences of ORR, DCR between two groups were in significant different (P=0.143).4.There was no treatment-associated death and no cetuximab-associated discontinuation.The incidence of acne-like rash was 50% occurred within three weeks, there were two patients suffered side effects associated with chemotherapy.Conclusion:The data of cetuximab application in non-first line setting for patients with NSCLC were rare, and the addition of cetuximab in those population was safe.
基金Guojun Liu wishes to thank NSERC of Canada for a Tier 1 Canada Research Chair and for funding
文摘Block copolymers can yield a diverse array of nanostructures.Their assembly structures are influenced by their inherent structures,and the wide variety of structures that can be prepared especially becomes apparent when one considers the number of routes available to prepare block copolymer assemblies.Some examples include self-assembly,directed assembly,coupling,as well as hierarchical assembly,which can yield assemblies having even higher structural order.These assembly routes can also be complemented by processing techniques such as selective crosslinking and etching,the former technique leading to permanent structures,the latter towards sculpted and the combination of the two towards permanent sculpted structures.The combination of these pathways provides extremely versatile routes towards an exciting variety of architectures.This review will attempt to highlight destinations reached by LIU Guojun and coworkers following these pathways.
基金supported by the National Natural Science Foundation of China(91545112,21573271,21403278)Shanghai Municipal Science and Technology Commission,China(15DZ1170500)the Chinese Academy of Sciences(QYZDB-SSW-SLH035)
文摘Syngas conversion to fuels and chemicals is one of the most challenging subjects in the field of C1 chemistry. It is considered as an attractive alternative non-petroleum-based production route. The direct synthesis of olefins and alcohols as high value-added chemicals from syngas has drawn particular attention due to its process simplicity, low energy consumption and clean utilization of carbon resource, which conforms to the principles of green carbon science. This review describes the recent advances for the direct production of lower olefins and higher alcohols via syngas conversion. Recent progress in the development of new catalyst systems for enhanced catalytic performance is highlighted. We also give recommendations regarding major challenges for further research in syngas conversion to various chemicals.
基金supported by the National Natural Science Foundation of China(21172079)the Science and Technology Planning Project of Guangdong Province(2011B090400031)
文摘Using NH4 I as the supporting electrolyte as well as the precursor of an I2 promoter and nitrogen source, a highly efficient electrochemical route was developed to convert aldehydes to nitriles with excellent yields under mild reaction conditions. This electrochemical process could effectively avoid the direct use of NH3 gas, molecular iodine, and oxidants.
基金supported by the National Natural Science Foundation of China(21325208,21172209,21272050)the Chinese Academy of Sciences(KJCX2-EW-J02)FRFCU(WK2060190025,WK2060190033)
文摘With the depletion of fossil resources, there is a need to find alternative resources of fuels and chemicals. The use of renewable feedstock such as those from seed oil processing is one of the best available resources that have come to the fore-front recently. This paper critically analyzes and highlights major factors in the biodiesel industry, such as seeds oil composition, production methods, properties of biodiesel, problems and potential solutions of using vegetable seed oil, the composition, quality and effective utilization of crude glycerol, the catalytic conversion of glycerol into possible fuels and chemicals.
文摘Anodic particle coulometry (APC) is a recently established method of sizing individual metal nanoparticles by oxidising them during their impact on a micro electrode. Here it is demonstrated that the application of APC can be extended to sizing of metal oxide nanoparticles, such as Fe304 magnetite nanoparticles. Additionally, a new route to electrochemical nanoparticle sizing is introduced-- cathodic particle coulometry (CPC). This method uses the reduction of impacting nanoparticles, e.g., metal oxide nanoparticles, and is demonstrated to yield correct size information for Fe304 nanoparticles. The combination of these two independent electrochemical methods of nanoparticle sizing, allows for purely electrochemical sizing of single nanoparticles and simultaneous verification of the obtained results.
文摘To meet the rising demand of graphene in electronics and optoelectronics, developing an efficient synthesis strategy for effective control of the layer thickness is highly necessary. Herein, we report the synthesis of strictly single- layer graphene on the foil of an early transition metal, tungsten (W), via a simple chemical vapor deposition route. The cracking of hydrocarbons is facilitated by the catalytically active metal surface of W, while the subsequent two-dimensional growth is mediated by the carbide-forming ability within the underlying bulk, leading to the formation of uniform monolayer graphene. The as-grown graphene layers can be transferred onto target substrates rapidly through the recently developed electrochemical method, which also allows for reuse of the substrates at least five times without introducing quality deteriora- tion. Moreover, considering the refractory nature of W foils, a complementary component of nickel is added, by means of which the growth temperature of graphene can be significantly reduced. In brief, a highly-efficient and low-cost synthesis route has been developed for the growth of graphene towards large-area uniformity, single-layer thickness and high crystalline quality.