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dehydrogenation reaction on high-performance PdAu alloy nanoparticles prepared by the eco-friendly slowsynthesis methodology

《能源前沿（英文）》   页码 751-762 doi: 10.1007/s11708-023-0895-3

摘要： Dehydrogenation of formic acid (FA) is considered to be an effective solution for efficient storage and transport of hydrogen. For decades, highly effective catalysts for this purpose have been widely investigated, but numerous challenges remain. Herein, the PdxAu1−x (x = 0, 0.2, 0.4, 0.5, 0.6, 0.8, 1) alloys over the whole composition range were successfully prepared and used to catalyze FA hydrogen production efficiently near room temperature. Small PdAu nanoparticles (5–10 nm) were well-dispersed and supported on the activated carbon to form PdAu solid solution alloys via the eco-friendly slow synthesis methodology. The physicochemical properties of the PdAu alloys were comprehensively studied by utilizing various measurement methods, such as X-ray diffraction (XRD), N2 adsorption–desorption, high angle annular dark field-scanning transmission electron microscope (HAADF-STEM), X-ray photoelectrons spectroscopy (XPS). Notably, owing to the strong metal-support interaction (SMSI) and electron transfer between active metal Au and Pd, the Pd0.5Au0.5 obtained exhibits a turnover frequency (TOF) value of up to 1648 h−1 (313 K, nPd+Au/nFA = 0.01, nHCOOH/nHCOONa = 1:3) with a high activity, selectivity, and reusability in the FA dehydrogenation.

关键词： FA dehydrogenation     face-centred cubic structures     PdAu solid solution alloy nanoparticles     slow synthesis methodology     SMSI effect    

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Dynamic response surface methodology using Lasso regression for organic pharmaceutical synthesis

《化学科学与工程前沿（英文）》 2022年 第16卷 第2期   页码 221-236 doi: 10.1007/s11705-021-2061-y

摘要： To study the dynamic behavior of a process, time-resolved data are collected at different time instants during each of a series of experiments, which are usually designed with the design of experiments or the design of dynamic experiments methodologies. For utilizing such time-resolved data to model the dynamic behavior, dynamic response surface methodology (DRSM), a data-driven modeling method, has been proposed. Two approaches can be adopted in the estimation of the model parameters: stepwise regression, used in several of previous publications, and Lasso regression, which is newly incorporated in this paper for the estimation of DRSM models. Here, we show that both approaches yield similarly accurate models, while the computational time of Lasso is on average two magnitude smaller. Two case studies are performed to show the advantages of the proposed method. In the first case study, where the concentrations of different species are modeled directly, DRSM method provides more accurate models compared to the models in the literature. The second case study, where the reaction extents are modeled instead of the species concentrations, illustrates the versatility of the DRSM methodology. Therefore, DRSM with Lasso regression can provide faster and more accurate data-driven models for a variety of organic synthesis datasets.

关键词： data-driven modeling     pharmaceutical organic synthesis     Lasso regression     dynamic response surface methodology    

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Giant and Complex Financial Information System Engineering Management from the Perspective of Meta-synthesisMethodology—with the Bank Card Information Exchange System Engineering as a Sample

Hong-feng Chai,Quan Sun

《工程管理前沿（英文）》 2016年 第3卷 第4期   页码 404-413 doi: 10.15302/J-FEM-2016037

摘要： The paper empirically studies the engineering practices of the national currency circulation information system-China Union Pay’s Bankcard Information Exchange System. By integrating the meta-synthesis methodology and the financial information system engineering, the paper proposes basic principles and processes of the giant and complex financial information system engineering management, and further explores its paradigm and toolkit.

关键词： financial information system     meta-synthesis methodology     bank card     information exchange    

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A highly efficient methodology for the preparation of

Yongxin Zhang, Shucheng Wang, Yaodong Huang

《化学科学与工程前沿（英文）》 2021年 第15卷 第3期   页码 679-686 doi: 10.1007/s11705-020-1979-9

摘要： A convenient and highly efficient method is described for the synthesis of -methoxycarbazole derivatives, including those with sterically demanding, benzannulated, or strongly electron-donating or -withdrawing substituents. Various -methoxycarbazole derivatives were directly prepared in good-to-moderate yields by the Pd (dba) CHCl /9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene-catalyzed reactions of the corresponding dibromobiphenyl compounds and methoxya-mine. Based on this methodology, the first total synthesis of 3,3′-[oxybis(methylene)]bis(9-methoxy-9 -carbazole), an antimicrobial dimeric carbazole alkaloid previously isolated from the stem bark of , was achieved in 18% yield over seven steps from 1,2-dibromobenzene.

关键词： N-methoxyl carbazole     dimeric N-methoxyl carbazole     alkaloid     total synthesis     double N-arylation of methoxyamine    

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Parametric study on the mixed solvent synthesis of ZIF-8 nano- and micro-particles for CO adsorption:

Alireza Hadi, Javad Karimi-Sabet, Abolfazl Dastbaz

《化学科学与工程前沿（英文）》 2020年 第14卷 第4期   页码 579-594 doi: 10.1007/s11705-018-1770-3

摘要： The room temperature synthesis of ZIF-8 micro- and nano-particles was investigated using a mixed methanol-water solvent system. ZIF-8 particles of good quality and high crystallinity were obtained. Response surface methodology was used to determine the effect of the synthesis conditions on the ZIF-8 yield, particle size distribution, and mean particle size. The ligand/metal salt molar ratio followed by the amount of sodium formate (the deprotonating agent) and then the amount of water (i.e., the composition of the mixed solvent) respectively had the largest effects on both the ZIF-8 yield and particle size. Results showed that mixing of solvents with different strengths in producing ZIF-8 crystals is a practical method to size-controlled synthesis of ZIF-8 particles. This method is more favorable for industrial-scale ZIF-8 synthesis than using excess amounts of ligands or chemical additives (like sodium formate). In addition, ZIF-8 samples with different mean particle sizes (100, 500, and 1000 nm) were used for CO adsorption and the mid-sized ZIF-8 particles had the highest adsorption capacity.

关键词： metal organic frameworks     zeolitic imidazolate frameworks     ZIF-8     response surface methodology     Box Behnken design     CO adsorption    

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钱学森与控制论

郑应平

《中国工程科学》 2001年 第3卷 第10期   页码 7-12

摘要：

文章首先介绍了控制论的内容、方法和意义, 以及历史回顾，并特别强调其在人类文明和科技发展中的重要地位，进而介绍了钱学森《工程控制论》的内容、观点及其在整个控制论发展过程中的承前启后作用，特别强调了它定位于面向工程应用的理论及其技术科学的特点，即把工程实际中行之有效的原理和方法整理总结成为理论，又将此理论在解决工程问题中不断充实、提高和发展。随着他结合系统工程和大系统、复杂系统乃至复杂巨系统的控制问题逐步形成的综合集成方法论体系，进一步明确了他对控制论在系统科学体系中的地位、作用和现代发展方向的观点，对现代控制论的发展起到了重要的推动作用。文中具体介绍了系统工程、 系统科学体系和复杂系统控制理论的发展和融汇, 指出它们已成为当前科技迅猛发展的重要方面。最后简要介绍了当前信息科学全面发展的趋势，以及系统和控制理论在现代社会发展中的重要历史使命。

关键词： 控制论     工程控制论     技术科学     复杂系统控制     复杂巨系统综合集成方法论    

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工程管理方法论

何继善,徐长山,王青娥,郭峰

《中国工程科学》 2014年 第16卷 第10期   页码 4-9

摘要：

本文按三个层次构建工程管理方法论的框架体系：工程管理哲学方法论、工程管理一般方法论和工程管理具体方法论。将实事求是方法、矛盾分析方法、知行统一方法、真理尺度和价值尺度统一方法和辩证思维方法作为工程管理哲学方法论的主要方法。工程管理一般方法论以系统科学方法、信息科学方法和数学方法为代表。案例研究方法等九种方法则是工程管理具体方法论的主要方法。这种框架不是绝对的，如系统工程方法和项目管理方法都向三个层次延伸。

关键词： 工程管理方法论     哲学方法论     一般方法论     具体方法论    

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of a combined approach for improvement and optimization of karanja biodiesel using response surface methodology

Sunil DHINGRA, Gian BHUSHAN, Kashyap Kumar DUBEY

《能源前沿（英文）》 2013年 第7卷 第4期   页码 495-505 doi: 10.1007/s11708-013-0267-5

摘要： This paper described the production of karanja biodiesel using response surface methodology (RSM) and genetic algorithm (GA). The optimum combination of reaction variables were analyzed for maximizing the biodiesel yield. The yield obtained by the RSM was 65% whereas the predicted value was 70%. The mathematical regression model proposed from the RSM was coupled with the GA. By using this technique, 90% of the yield was obtained at a molar ratio of 38, a reaction time of 8 hours, a reaction temperature of 40 oC, a catalyst concentration of 2% oil, and a mixing speed of 707 r/min. The yield produced was closer to the predicted value of 94.2093%. Hence, 25% of the improvement in the biodiesel yield was reported. Moreover the different properties of karanja biodiesel were found closer to the American Society for Testing & Materials (ASTM) standard of biodiesel.

关键词： optimization of karanja biodiesel     genetic algorithm (GA)     response surface methodology (RSM)     percentage improvement in the biodiesel yield     properties of biodiesel    

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Rethinking the tendering frameworks of construction contractors in the context of a soft systems methodology

Stephen URQUHART, Andrew WHYTE

《工程管理前沿（英文）》 2018年 第5卷 第3期   页码 369-380 doi: 10.15302/J-FEM-2018019

摘要：

Limited research has been conducted on the internal tendering procedures (ITP) of construction contractors because of the commercially sensitive and confidential nature of the subject matter. This limitation explains the reluctance of contractors to undergo interviews. Existing research (outside bid/no-bid and margin decision factor identification and subsequent decision modeling development) only begins to provide insights into key tendering stages, particularly around risk assessments and corporate review processes. Early research suggested one to three review stages. However, when considering the whole work procurement process from prospect identification to contract execution, five to seven series of reviews can be arguably applied by some contractors, wherein some reviews stepped through several layers of internal senior management. Tendering processes were presented as flowchart models that traditionally follow “hard” system (rectangular shapes and straight line arrows) steps, which suggest that a precise process also leads to precise results. However, given that contractors do not win every tender they submit, the process is less precise than that suggested in rigidly structured flowcharts. Twenty-five detailed semi-structured interviews were held with purposely selected high-profile publicly and privately owned construction companies in Australia with significantly varied turnovers. Analyses show that contractors are concerned about the negative effects of increasing corporate governance demands, with many stating that people involved are the most critical element to tendering success. A new way of presenting the ITP of contractors is assessed using a soft systems methodology (SSM) approach. SSM offers an alternative way of considering human interaction challenges within the ITP of contractors, which needs to be tested with the industry. The format graphics of SSM guidelines are presented as a way of offering contractors a different approach, which may assist individuals who are looking to re-structure their tendering activities in a more humanistic and less rigid procedural approach.

关键词： contractor     corporate governance     humanistic     risk     soft systems methodology     tendering procedures    

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Exploring the methodology and application of clinical pathway in evidence-based Chinese medicine

Sicheng Wang, He Yu, Jianping Liu, Baoyan Liu

《医学前沿（英文）》 2011年 第5卷 第2期   页码 157-162 doi: 10.1007/s11684-011-0128-8

摘要： At present, clinical pathway has become one of the most important health care reform measures in many countries. In this study, the authors introduced basic concepts and explored the application of the clinical pathway of evidence-based Chinese medicine incorporated with the methodology from the concepts of management, evidence-based medicine, operational research and health economics. Such concepts provide examples and experiences, on which the application of clinical pathway in Chinese medicine practice in China can be based.

关键词： evidence-based medicine     clinical pathway     methodology     concept     technical difficulty    

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Optimization of the O/HO process with response surface methodology for pretreatment of mother liquor

《环境科学与工程前沿（英文）》 2021年 第15卷 第4期 doi: 10.1007/s11783-020-1371-5

摘要：

• Real ML-GFW with high salinity and high organics was degraded by O3/H2O2 process.

关键词： High salinity     High organic matters     Gas field wastewater     O3/H2O2     Response surface methodology    

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A conceptual methodology for simultaneous optimization of water and heat with non-isothermal mixing

Yanlong Hou, Wanni Xie, Zhenya Duan, Jingtao Wang

《化学科学与工程前沿（英文）》 2017年 第11卷 第2期   页码 154-165 doi: 10.1007/s11705-016-1593-z

摘要： A new conceptual methodology is proposed to simultaneously integrate water allocation and energy networks with non-isothermal mixing. This method employs a simultaneous model and includes two design steps. In the first step, the water allocation network (WAN), which could achieve the targets of saving water and energy, is obtained by taking account the temperature factor into the design procedure. The optimized targets of both freshwater and energy are reached at this step which ensures this approach is a simultaneous one. In the second step, based on the obtained WAN, the whole water allocation and heat exchange network (WAHEN) is combined with the non-isothermal mixing to reduce the number of heat exchangers. The thus obtained WAHEN can achieve three optimization targets (minimization of water, energy and the number of heat exchangers). Furthermore, the effectivity of our method has been demonstrated by solving two literature examples.

关键词： simultaneous integration     non-isothermal mixing     multi-target optimization     water and energy networks    

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Machine learning-based solubility prediction and methodology evaluation of active pharmaceutical ingredients

《化学科学与工程前沿（英文）》 2022年 第16卷 第4期   页码 523-535 doi: 10.1007/s11705-021-2083-5

摘要： Solubility has been widely regarded as a fundamental property of small molecule drugs and drug candidates, as it has a profound impact on the crystallization process. Solubility prediction, as an alternative to experiments which can reduce waste and improve crystallization process efficiency, has attracted increasing attention. However, there are still many urgent challenges thus far. Herein we used seven descriptors based on understanding dissolution behavior to establish two solubility prediction models by machine learning algorithms. The solubility data of 120 active pharmaceutical ingredients (APIs) in ethanol were considered in the prediction models, which were constructed by random decision forests and artificial neural network with optimized data structure and model accuracy. Furthermore, a comparison with traditional prediction methods including the modified solubility equation and the quantitative structure-property relationships model was carried out. The highest accuracy shown by the testing set proves that the ML models have the best solubility prediction ability. Multiple linear regression and stepwise regression were used to further investigate the critical factor in determining solubility value. The results revealed that the API properties and the solute-solvent interaction both provide a nonnegligible contribution to the solubility value.

关键词： solubility prediction     machine learning     artificial neural network     random decision forests    

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diesel engine operating on different water in diesel emulsion fuels: optimization using response surface methodology

Seyed Saeed HOSEINI, Mohammad Amin SOBATI

《能源前沿（英文）》 2019年 第13卷 第4期   页码 636-657 doi: 10.1007/s11708-019-0646-7

摘要： The nitrogen oxide (NO ) release of diesel engines can be reduced using water in diesel emulsion fuel without any engine modification. In the present paper, different formulations of water in diesel emulsion fuels were prepared by ultrasonic irradiation. The water droplet size in the emulsion, polydisperisty index, and the stability of prepared fuel was examined, experimentally. Afterwards, the performance characteristics and exhaust emission of a single cylinder air-cooled diesel engine were investigated using different water in diesel emulsion fuels. The effect of water content (in the range of 5%–10% by volume), surfactant content (in the range of 0.5%–2% by volume), and hydrophilic-lipophilic balance (HLB) (in the range of 5–8) was examined using Box-Behnken design (BBD) as a subset of response surface methodology (RSM). Considering multi-objective optimization, the best formulation for the emulsion fuel was found to be 5% water, 2% surfactant, and HLB of 6.8. A comparison was made between the best emulsion fuel and the neat diesel fuel for engine performance and emission characteristics. A considerable decrease in the nitrogen oxide emission (–18.24%) was observed for the best emulsion fuel compared to neat diesel fuel.

关键词： water in diesel emulsion fuel     hydrophilic-lipophilic balance (HLB)     response surface methodology (RSM)     emulsion stability     engine performance     exhaust emission    

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Optimization of methyl orange removal from aqueous solution by response surface methodology using spent

Liangzhi LI,Xiaolin LI,Ci YAN,Weiqiang GUO,Tianyi YANG,Jiaolong FU,Jiaoyan TANG,Cuiying HU

《环境科学与工程前沿（英文）》 2014年 第8卷 第4期   页码 496-502 doi: 10.1007/s11783-013-0578-0

摘要： The effective disposal of redundant tea waste is crucial to environmental protection and comprehensive utilization of trash resources. In this work, the removal of methyl orange (MO) from aqueous solution using spent tea leaves as the sorbent was investigated in a batch experiment. First, the effects of various parameters such as temperature, adsorption time, dose of spent tea leaves, and initial concentration of MO were investigated. Then, the response surface methodology (RSM), based on Box–Behnken design, was employed to obtain the optimum adsorption conditions. The optimal conditions could be obtained at an initial concentration of MO of 9.75 mg·L , temperature of 35.3°C, contact time of 63.8 min, and an adsorbent dosage 3.90 g·L . Under the optimized conditions, the maximal removal of MO was 58.2%. The results indicate that spent tea leaves could be used as an effective and economical adsorbent in the removal of MO from aqueous solution.

关键词： spent tea leaves     adsorption     response surface methodology     methyl orange (MO)    

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标题 作者 时间 类型 操作

dehydrogenation reaction on high-performance PdAu alloy nanoparticles prepared by the eco-friendly slowsynthesis methodology

期刊论文

Dynamic response surface methodology using Lasso regression for organic pharmaceutical synthesis

期刊论文

Giant and Complex Financial Information System Engineering Management from the Perspective of Meta-synthesisMethodology—with the Bank Card Information Exchange System Engineering as a Sample

Hong-feng Chai,Quan Sun

期刊论文

A highly efficient methodology for the preparation of

Yongxin Zhang, Shucheng Wang, Yaodong Huang

期刊论文

Parametric study on the mixed solvent synthesis of ZIF-8 nano- and micro-particles for CO adsorption:

Alireza Hadi, Javad Karimi-Sabet, Abolfazl Dastbaz

期刊论文

钱学森与控制论

郑应平

期刊论文

工程管理方法论

何继善,徐长山,王青娥,郭峰

期刊论文

of a combined approach for improvement and optimization of karanja biodiesel using response surface methodology

Sunil DHINGRA, Gian BHUSHAN, Kashyap Kumar DUBEY

期刊论文

Rethinking the tendering frameworks of construction contractors in the context of a soft systems methodology

Stephen URQUHART, Andrew WHYTE

期刊论文

Exploring the methodology and application of clinical pathway in evidence-based Chinese medicine

Sicheng Wang, He Yu, Jianping Liu, Baoyan Liu

期刊论文

Optimization of the O/HO process with response surface methodology for pretreatment of mother liquor

期刊论文

A conceptual methodology for simultaneous optimization of water and heat with non-isothermal mixing

Yanlong Hou, Wanni Xie, Zhenya Duan, Jingtao Wang

期刊论文

Machine learning-based solubility prediction and methodology evaluation of active pharmaceutical ingredients

期刊论文

diesel engine operating on different water in diesel emulsion fuels: optimization using response surface methodology

Seyed Saeed HOSEINI, Mohammad Amin SOBATI

期刊论文

Optimization of methyl orange removal from aqueous solution by response surface methodology using spent

Liangzhi LI,Xiaolin LI,Ci YAN,Weiqiang GUO,Tianyi YANG,Jiaolong FU,Jiaoyan TANG,Cuiying HU

期刊论文