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Synthesis of

Lili ZHANG, Ming LIU, Shijun MA, Yaodong HUANG, Yongmei WANG

《化学科学与工程前沿（英文）》 2013年第7卷第4期页码 408-414 doi: 10.1007/s11705-013-1343-4

摘要： Two new -symmetric primary-secondary diamines were synthesized via the reaction of ( , )-1,2-diphenyl ethylene diamine with 3,5-ditert-butyl salicylaldehyde and salicylaldehyde, respectively, followed by reduction with NaBH . The combination of the ligand from 3,5-ditert-butyl salicylaldehyde with CuBr could effciently catalyze the Henry reaction to afford -nitroalkanols in moderate to good yields (up to 87%) and high enantioselectivities (up to 88% ). A possible mechanism of the reaction was proposed.

关键词： enantioselective Henry reaction C₁-symmetric diamines asymmetric reaction nitroalkanol

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Visual chiral recognition of 1,1′-binaphthol through enantioselective collapse of gel based on an amphiphilic

Xuhong Zhang, Haimiao Li, Xin Zhang, Meng An, Weiwei Fang, Haitao Yu

《化学科学与工程前沿（英文）》 2017年第11卷第2期页码 231-237 doi: 10.1007/s11705-017-1633-3

摘要： A novel gelator that contained both Schiff base and L-lysine moieties was synthesized and its gelation behavior was tested. This gelator can form gels in various organic solvents. The resulting gel can be applied as a fascinating platform for visual recognition of enantiomeric 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (BINOL) through selective gel collapse. In addition, the mechanism for the reaction of the gel with chiral BINOL was investigated by scanning electron microscope and H nuclear magnetic resonance.

关键词： gelator Schiff base chiral recognition gel formation gel collapse

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使用IEEE 2030.5 标准在电网边缘进行可交易需求响应操作 Article

Javad Fattahi, Mikhak Samadi, Melike Erol-Kantarci, Henry Schriemer

《工程（英文）》 2020年第6卷第7期页码 801-811 doi: 10.1016/j.eng.2020.06.005

摘要：

本文提出一种针对拥有发电资产的住宅客户网络的可交易需求响应（TDR）方案，该方案强调了交易能源架构内的互操作性。完整的基于实验室的实施（据我们所知）首次实现了全面的TDR案例，该案例完全符合电气与电子工程师协会（IEEE）2030.5标准，解决了网络安全智能能源规范（SEP）应用协议的互操作性。通过使用基于Internet协议（IP） [局域网（LAN）和Wi-Fi]的通信协议和传输层安全性（TLS）1.2加密协议的商业硬件的完整系统集成来提供验证，而实证通过大量住宅智能电表数据仿真提供。需求响应（DR）方案旨在兼顾隐私问题，允许客户选择其DR响应水平，并提供激励措施以最大程度地提高其参与度。本文提出的TDR方案通过在交易代理（TA）和家庭能源管理系统（HEMS）代理之间实施SEP 2.0通信协议来解决隐私问题。客户响应由一个多入多出（MIMO）模糊控制器处理，该控制器管理客户代理和TA之间的协商。我们采用多代理系统方法实现邻域协调，通过TA在一个公共变压器上为多个客户提供服务，并在基于事件的优化过程中利用激励机制最大化客户的参与度。基于在较长时间内获取的一组智能电表数据，我们参与了多个TDR场景，并通过符合IEEE 2030.5标准的全功能实现证明了我们的方案可以在现实条件下将网络峰值功耗降低22%。

关键词：可交易需求响应 IEEE 2030.5 智能电网多代理系统邻域协调

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Home location inference from sparse and noisy data: models and applications

Tian-ran HU,Jie-bo LUO,Henry KAUTZ,Adam SADILEK

《信息与电子工程前沿（英文）》 2016年第17卷第5期页码 389-402 doi: 10.1631/FITEE.1500385

摘要： Accurate home location is increasingly important for urban computing. Existing methods either rely on continuous (and expensive) Global Positioning System (GPS) data or suffer from poor accuracy. In particular, the sparse and noisy nature of social media data poses serious challenges in pinpointing where people live at scale. We revisit this research topic and infer home location within 100 m×100 m squares at 70% accuracy for 76% and 71% of active users in New York City and the Bay Area, respectively. To the best of our knowledge, this is the first time home location has been detected at such a fine granularity using sparse and noisy data. Since people spend a large portion of their time at home, our model enables novel applications. As an example, we focus on modeling people’s health at scale by linking their home locations with publicly available statistics, such as education disparity. Results in multiple geographic regions demonstrate both the effectiveness and added value of our home localization method and reveal insights that eluded earlier studies. In addition, we are able to discover the real buzz in the communities where people live.

关键词： Home location Mobility patterns Healthcare

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Ahsan Noor Khan, Young-ok Cha, Henry Giddens, 郝阳

《工程（英文）》 2022年第11卷第4期页码 27-41 doi: 10.1016/j.eng.2021.10.019

摘要：

电子学和生物学的结合催生了生物电子学，为研究人员实现对尚未被满足的治疗方案的需求带来了激动人心的机遇。纳米电子学及柔性、生物相容性材料的发展显示出潜在的临床应用（如生理传感、药物输送、心血管监测和脑刺激）价值。迄今为止，大多数生物电子器件都需要通过有线连接来进行电子控制，因此对患者来说，这些器件的植入既复杂又缺乏便利性。而作为替代方案，无线技术正在蓬勃发展，形成了能够提供无创控制、生物遥测和无线电能传输（WPT）的生物电子学。本文综述了无线生物电子学及其在器官特异性治疗（包括疾病和功能障碍）应用中的持续发展。本文重点描述了天线的关键特性，即辐射特性、材料选择、与其他电子器件的集成和测量。尽管无线生物电子学的最新进展有望增加对器件功能的控制，但在技术商业化以及应对不断扩大的未来医疗需求方面仍面临诸多挑战。

关键词：生物电子学神经植入物药物输送天线无线电能

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基于机器学习的广彩瓷图案生成系统 Special Feature on Intelligent Design

Steven Szu-Chi CHEN, Hui CUI, Ming-han DU, Tie-ming FU, Xiao-hong SUN, Yi JI, Henry DUH

《信息与电子工程前沿（英文）》 2019年第20卷第12期页码 1632-1643 doi: 10.1631/FITEE.1900399

摘要：由于广彩瓷设计元素和图案种类繁多、复杂多样，准确识别现代及传统瓷器风格是广彩瓷传承工作中的巨大挑战。提出一种基于广彩瓷风格识别和图像合成模块的图案生成系统。在识别模块中，通过主成分分析和所提判别冗余量化策略对特征重要性进行分析和排序，然后分别训练两组神经网络，将最优设计特征与转换后的主成分特征关联，最后利用整体神经网络逻辑回归方法预测未知广彩瓷。基于条件生成对抗网络（cGAN）开发合成模块，要求用户提供自己设计的创意掩码或抽象瓷元素图像，以生成新的广彩瓷风格合成图像。在系统开发过程中，使用603幅广彩瓷图像测试分类模型。测试结果表明，所提模型在精确度、召回率、接受者操作特性曲线（ROC）的曲线下面积（AUC）和混淆矩阵等方面均优于其他方法。对用户设计的各种元素合成图像的案例研究表明，该系统有助于提高学习者对广彩瓷的欣赏和艺术创作能力。

关键词：广彩瓷；分类；生成对抗网络；艺术创作

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Thermodynamic analysis of reaction pathways and equilibrium yields for catalytic pyrolysis of naphtha

《化学科学与工程前沿（英文）》 2022年第16卷第12期页码 1700-1712 doi: 10.1007/s11705-022-2207-6

摘要： The chain length and hydrocarbon type significantly affect the production of light olefins during the catalytic pyrolysis of naphtha. Herein, for a better catalyst design and operation parameters optimization, the reaction pathways and equilibrium yields for the catalytic pyrolysis of C_5–8 n/iso/cyclo-paraffins were analyzed thermodynamically. The results revealed that the thermodynamically favorable reaction pathways for n/iso-paraffins and cyclo-paraffins were the protolytic and hydrogen transfer cracking pathways, respectively. However, the formation of light paraffin severely limits the maximum selectivity toward light olefins. The dehydrogenation cracking pathway of n/iso-paraffins and the protolytic cracking pathway of cyclo-paraffins demonstrated significantly improved selectivity for light olefins. The results are thus useful as a direction for future catalyst improvements, facilitating superior reaction pathways to enhance light olefins. In addition, the equilibrium yield of light olefins increased with increasing the chain length, and the introduction of cyclo-paraffin inhibits the formation of light olefins. High temperatures and low pressures favor the formation of ethylene, and moderate temperatures and low pressures favor the formation of propylene. n-Hexane and cyclohexane mixtures gave maximum ethylene and propylene yield of approximately 49.90% and 55.77%, respectively. This work provides theoretical guidance for the development of superior catalysts and the selection of proper operation parameters for the catalytic pyrolysis of C_5–8 n/iso/cyclo-paraffins from a thermodynamic point of view.

关键词： naphtha catalytic pyrolysis reaction pathway equilibrium yield

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催化裂化过程反应化学的进展

许友好,汪燮卿

《中国工程科学》 2007年第9卷第8期页码 6-14

摘要：

面对催化裂化工艺所遇到的挑战，提出了催化裂化过程反应化学的多维反应结构模式。多维反应结构模式的建立是基于对烃类在酸性催化剂上反应化学认识而进行的知识创新，但多维反应结构不同于烃类在酸性催化剂上反应化学。具有多维反应结构的催化裂化工艺更具有多样性和灵活性，基于此已成功地开发了多产异构烷烃的催化裂化工艺和生产清洁汽油和多产丙烯的催化裂化工艺。

关键词：催化裂化反应化学催化剂多维反应结构两个反应区

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Heterogeneous reaction mechanism of gaseous HNO

Nan ZHAO,Qingzhu ZHANG,Wenxing WANG

《环境科学与工程前沿（英文）》 2016年第10卷第5期 doi: 10.1007/s11783-016-0836-z

摘要： We studied the heterogeneous reaction mechanism of gaseous HNO with solid NaCl. HCl is released from heterogeneous reactions between gaseous HNO and solid NaCl. Water molecules induce surface reconstruction of NaCl to facilitate the reaction. Sea salt particles containing NaCl are among the most abundant particulate masses in coastal atmosphere. Reactions involving sea salt particles potentially generate Cl radicals, which are released into coastal atmosphere. Cl radicals play an important role in the nitrogen and O cycles, sulfur chemistry and particle formation in the troposphere of the polluted coastal regions. This paper aimed at the heterogeneous reaction between gaseous HNO and solid NaCl. The mechanism was investigated by density functional theory (DFT). The results imply that water molecules induce the surface reconstruction, which is essential for the heterogeneous reaction. The surface reconstruction on the defective (710) surface has a barrier of 10.24 kcal·mol and is endothermic by 9.69 kcal·mol , whereas the reconstruction on the clean (100) surface has a barrier of 18.46 kcal·mol and is endothermic by 12.96 kcal·mol . The surface reconstruction involved in water-adsorbed (710) surface is more energetically favorable. In comparison, water molecules adsorbed on NaCl (100) surface likely undergo water diffusion or desorption. Further, it reveals that the coordination number of the Cl is reduced after the surface reconstruction, which assists Cl to accept the proton from HNO . HCl is released from heterogeneous reactions between gaseous HNO and solid NaCl and can react with OH free radicals to produce atomic Cl radicals. The results will offer further insights into the impact of gaseous HNO on the air quality of the coastal areas.

关键词： Seasalt particles NaCl HNO₃ Heterogeneous reaction Reaction mechanism Density functional theory

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Dual-reaction-center catalytic process continues Fenton’s story

Chao Lu, Kanglan Deng, Chun Hu, Lai Lyu

《环境科学与工程前沿（英文）》 2020年第14卷第5期 doi: 10.1007/s11783-020-1261-x

摘要： Abstract • Dual-reaction-center (DRC) system breaks through bottleneck of Fenton reaction. • Utilization of intrinsic electrons of pollutants is realized in DRC system. • DRC catalytic process well continues Fenton’s story. Triggered by global water quality safety issues, the research on wastewater treatment and water purification technology has been greatly developed in recent years. The Fenton technology is particularly powerful due to the rapid attack on pollutants by the generated hydroxyl radicals (•OH). However, both heterogeneous and homogeneous Fenton/Fenton-like technologies follow the classical reaction mechanism, which depends on the oxidation and reduction of the transition metal ions at single sites. So even after a century of development, this reaction still suffers from its inherent bottlenecks in practical application. In recent years, our group has been focusing on studying a novel heterogeneous Fenton catalytic process, and we developed the dual-reaction-center (DRC) system for the first time. In the DRC system, H2O2 and O2 can be efficiently reduced to reactive oxygen species (ROS) in electron-rich centers, while pollutants are captured and oxidized by the electron-deficient centers. The obtained electrons from pollutants are diverted to the electron-rich centers through bonding bridges. This process breaks through the classic Fenton mechanism, and improves the performance and efficiency of pollutant removal in a wide pH range. Here, we provide a brief overview of Fenton’s story and focus on combing the discovery and development of the DRC technology and mechanism in recent years. The construction of the DRC and its performance in the pollutant degradation and interfacial reaction process are described in detail. We look forward to bringing a new perspective to continue Fenton’s story through research and development of DRC technology.

关键词： Dual reaction centers Fenton Pollutant utilization Electron transfer

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Graphene-reinforced metal-organic frameworks derived cobalt sulfide/carbon nanocomposites as efficient multifunctional electrocatalysts

《化学科学与工程前沿（英文）》 2021年第15卷第6期页码 1487-1499 doi: 10.1007/s11705-021-2085-3

摘要： Developing cost-effective electrocatalysts for oxygen reduction reaction (ORR), oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) is vital in energy conversion and storage applications. Herein, we report a simple method for the synthesis of graphene-reinforced CoS/C nanocomposites and the evaluation of their electrocatalytic performance for typical electrocatalytic reactions. Nanocomposites of CoS embedded in N, S co-doped porous carbon and graphene (CoS@C/Graphene) were generated via simultaneous sulfurization and carbonization of one-pot synthesized graphite oxide-ZIF-67 precursors. The obtained CoS@C/Graphene nanocomposites were characterized by X-ray diffraction, Raman spectroscopy, thermogravimetric analysis-mass spectroscopy, scanning electronic microscopy, transmission electronic microscopy, X-ray photoelectron spectroscopy and gas sorption. It is found that CoS nanoparticles homogenously dispersed in the in situ formed N, S co-doped porous carbon/graphene matrix. The CoS@C/10Graphene composite not only shows excellent electrocatalytic activity toward ORR with high onset potential of 0.89 V, four-electron pathway and superior durability of maintaining 98% of current after continuously running for around 5 h, but also exhibits good performance for OER and HER, due to the improved electrical conductivity, increased catalytic active sites and connectivity between the electrocatalytic active CoS and the carbon matrix. This work offers a new approach for the development of novel multifunctional nanocomposites for the next generation of energy conversion and storage applications.

关键词： MOF derivative graphene electrocatalyst oxygen reduction reaction oxygen evolution reaction hydrogen evolution reaction

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Impact and inhibitory mechanism of phenolic compounds on the formation of toxic Maillard reaction products

Jing TENG, Xiaoqian HU, Ningping TAO, Mingfu WANG

《农业科学与工程前沿（英文）》 2018年第5卷第3期页码 321-329 doi: 10.15302/J-FASE-2017182

摘要：

As one of the dominant reactions occurring during thermal treatment of food, the Maillard reaction not only leads to the formation of aroma, browning color and taste compounds, but also contributes to the formation of some unpleasant toxic substances including acrylamide, heterocyclic amines and advanced glycation end products. Polyphenols, one of the most abundant antioxidants in the human diet, are contained in different kinds of foods. In this review, some recent studies on the impact of dietary polyphenols on the formation of acrylamide, heterocyclic amines and advanced glycation end products formed during the Maillard reaction are summarized, including the research work conducted with both chemical model systems and real food model systems; the possible inhibitory mechanisms of different polyphenols are also summarized and discussed in this review. Basically we found that some dietary polyphenols not only scavenge free radicals, but also react with reactive carbonyl species, thus lowering the formation of toxic Maillard reaction products. This review provides a useful theoretical foundation for the application of polyphenols in food safety, and suggests some directions for further study of natural products as inhibitors against the formation of toxic substances in thermally processed food.

关键词： advanced glycation end products acrylamide food safety heterocyclic amine Maillard reaction polyphenols

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An overview and recent advances in electrocatalysts for direct seawater splitting

《化学科学与工程前沿（英文）》 2021年第15卷第6期页码 1408-1426 doi: 10.1007/s11705-021-2102-6

摘要： In comparison to pure water, seawater is widely accepted as an unlimited resource. The direct seawater splitting is economical and eco-friendly, but the key challenges in seawater, especially the chlorine-related competing reactions at the anode, seriously hamper its practical application. The development of earth-abundant electrocatalysts toward direct seawater splitting has emerged as a promising strategy. Highly efficient electrocatalysts with improved selectivity and stability are of significance in preventing the interference of side reactions and resisting various impurities. This review first discusses the macroscopic understanding of direct seawater electrolysis and then focuses on the strategies for rational design of electrocatalysts toward direct seawater splitting. The perspectives of improved electrocatalysts to solve emerging challenges and further development of direct seawater splitting are also provided.

关键词： seawater splitting electrocatalysts oxygen evolution reaction hydrogen evolution reaction chlorine chemistry

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Interface engineering for enhancing electrocatalytic oxygen evolution reaction of CoS/CeO heterostructures

《化学科学与工程前沿（英文）》 2022年第16卷第3期页码 376-383 doi: 10.1007/s11705-021-2062-x

摘要： To realize renewable energy conversion, it is important to develop low-cost and high-efficiency electrocatalyst for oxygen evolution reaction. In this communication, a novel bijunction CoS/CeO₂ electrocatalyst grown on carbon cloth is prepared by the interface engineering. The interface engineering of CoS and CeO₂ facilitates a rapid charge transfer from CeO₂ to CoS. Such an electrocatalyst exhibits outstanding electrocatalytic activity with a low overpotential of 311 mV at 10 mA∙cm⁻² and low Tafel slope of 76.2 mV∙dec^–1, and is superior to that of CoS (372 mV) and CeO₂ (530 mV) counterparts. And it has long-term durability under alkaline media.

关键词： interface engineering CoS/CeO₂ electrodeposition electrocatalyst oxygen evolution reaction

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cluster-based organic frameworks as highly active electrocatalysts for oxygen reduction and oxygen evolution reaction

《化学科学与工程前沿（英文）》 2023年第17卷第5期页码 570-580 doi: 10.1007/s11705-022-2247-y

摘要： Recently, metal–organic frameworks are one of the potential catalytic materials for electrocatalytic applications. The oxygen reduction reaction and oxygen evolution reaction catalytic activities of heterometallic cluster-based organic frameworks are investigated using density functional theory. Firstly, the catalytic activities of heterometallic clusters are investigated. Among all heterometallic clusters, Fe₂Mn–Mn has a minimum overpotential of 0.35 V for oxygen reduction reaction, and Fe₂Co–Co possesses the smallest overpotential of 0.32 V for oxygen evolution reaction, respectively 100 and 50 mV lower than those of Pt(111) and RuO₂(110) catalysts. The analysis of the potential gap of Fe₂M clusters indicates that Fe₂Mn, Fe₂Co, and Fe₂Ni clusters possess good bifunctional catalytic activity. Additionally, the catalytic activity of Fe₂Mn and Fe₂Co connected through 3,3′,5,5′-azobenzenetetracarboxylate linker to form Fe₂M–PCN–Fe₂M is explored. Compared with Fe₂Mn–PCN–Fe₂Mn, Fe₂Co–PCN–Fe₂Co, and isolated Fe₂M clusters, the mixed-metal Fe₂Co–PCN–Fe₂Mn possesses excellent bifunctional catalytic activity, and the values of potential gap on the Mn and Co sites of Fe₂Co–PCN–Fe₂Mn are 0.69 and 0.70 V, respectively. Furthermore, the analysis of the electron structure indicates that constructing a mixed-metal cluster can efficiently enhance the electronic properties of the catalyst. In conclusion, the mixed-metal cluster strategy provides a new approach to further design and synthesize high-efficiency bifunctional electrocatalysts.

关键词： bimetallic metal–organic frameworks bifunctional electrocatalyst density functional theory oxygen reduction reaction oxygen evolution reaction