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含能材料 5

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HEMTs）；栅槽；数字湿法腐蚀；选择性湿法腐蚀 1

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Submerged arc plasma system combined with ozone oxidation for the treatment of wastewater containing non-degradable organic compounds

《环境科学与工程前沿（英文）》 2021年 第15卷 第5期 doi: 10.1007/s11783-020-1384-0

摘要：

• Submerged arc plasma was introduced in terms of wastewater treatment.

关键词： Thermal plasma     Submerged arc plasma     Wastewater     Ozone     Phenol     Highly energetic electron    

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Highly selective detection of copper(II) by a “ligand-free” conjugated copolymer in nucleophilic solvents

Weixing Deng, Pengfei Sun, Quli Fan, Lei Zhang, Tsuyoshi Minami

《化学科学与工程前沿（英文）》 2020年 第14卷 第1期   页码 105-111 doi: 10.1007/s11705-019-1791-6

摘要： The synthesis of -cyclohexyl carbamate-attached fluorene- -phenylene copolymer (PFPNCC) and the use of PFPNCC as a “ligand-free” fluorescent chemosensor for Cu(II) are described. Addition of Cu(II) can efficiently quench the fluorescence of PFPNCC in nucleophilic solvents such as DMF and DMSO, but not in low nucleophilic solvents such as 1,4-dioxane and THF. Ultraviolet-visible spectra of the mixture of the conjugated polymer and Cu(II) indicate the presence of a reduced Cu(I) ion in the solution. Furthermore, fluorescence recovery of PFPNCC observed at low temperature suggests that the quenching and reducing mechanism is most probably due to a photo-induced electron transfer from excited PFPNCC to Cu(II). Our findings provide a novel strategy for highly selective conjugated polymer-based chemosensors for various target analytes, albeit “ligand-free”.

关键词： ligand-free     fluorescent chemosensor     copper     photo-induced electron transfer    

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超高压下的极端含能材料 Perspective

毛河光, 吉诚, 李冰, 刘罡, Eugene Gregoryanz

《工程（英文）》 2020年 第6卷 第9期   页码 976-980 doi: 10.1016/j.eng.2020.07.010

摘要：

含有极高能量密度的单键聚合氮和单原子金属氢，常被称为极端含能材料。虽然它们需要几百吉帕的超高压才能合成，并且难以直接应用，但是研究它们的稳定性、亚稳定性和其他基本特性，仍然对另辟蹊径寻找极端含能材料甚有价值。在100~200 GPa，已经发现了多种结晶态和非晶态的聚合氮。立方偏转结构聚合氮和黑磷结构聚合氮是两种特别有意思的聚合氮，它们的滞后保存现象提供了进一步探索氮应用的前景。另外，虽然金属氢被预估具有最高的能量密度，但预测只能保存皮秒（ps）的寿命和只能合成皮克（pg）的质量，还不是一个有实用可能性的材料。因此金属氢应被定位为一个兴趣导向的基础科研课题，主要聚焦压力下分子氢的晶体构造和电子结构的奇妙演化过程，即从低密度超宽能带的绝缘体，到窄能带的半导体，再到高密度的分子金属和原子金属，最后到前所未有的崭新物理态。这些挑战驱动着超高压科学和技术的持续创新和突破。

关键词： 含能材料     超高压     聚合氮     金属氢    

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机器学习辅助的高通量虚拟筛选用于实现先进含能材料按需定制 Article

宋思维, 王毅, 陈方, 晏蜜, 张庆华

《工程（英文）》 2022年 第10卷 第3期   页码 99-109 doi: 10.1016/j.eng.2022.01.008

摘要：

受限于试错法较低的研发效率，寻找具有特定性能的含能材料始终是一个极具挑战性的工作。本文展示了基于领域知识、机器学习算法和实验验证的含能材料研发新模式。设计了一个集成分子生成和机器学习模型的高通量虚拟筛选（HTVS）系统，该系统可预测分子性能，并对晶体堆积模式进行评估。在该系统指导下，快速生成了25 112 个分子，并从中确认了具有理想性能和晶体堆积模式的候选分子。对目标分子进行实验合成，后续的晶体结构和性质研究表明，目标分子良好的综合性能与预测结果一致；验证了本文中研发模式的有效性。本研究展示了一种用于发现新型含能材料的新的研究范式，并且可以无障碍地
将其用于其他有机功能材料的探索。

关键词： 含能材料     机器学习     高通量虚拟筛选     分子性能     合成    

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precise-acting” strategies for improving anaerobic methanogenesis of organic waste: Insights from the electron

《环境科学与工程前沿（英文）》 2022年 第16卷 第6期 doi: 10.1007/s11783-021-1508-1

摘要： Methanogenesis is the last step in anaerobic digestion, which is usually a rate-limiting step in the biological treatment of organic waste. The low methanogenesis efficiency (low methane production rate, low methane yield, low methane content) substantially limits the development of anaerobic digestion technology. Traditional pretreatment methods and bio-stimulation strategies have impacts on the entire anaerobic system and cannot directly enhance methanogenesis in a targeted manner, which was defined as “broad-acting” strategies in this perspective. Further, we discussed our opinion of methanogenesis process with insights from the electron transfer system of syntrophic partners and provided potential targeted enhancing strategy for high-efficiency electron transfer system. These “precise-acting” strategies are expected to achieve an efficient methanogenesis process and enhance the bio-energy recovery of organic waste.

关键词： Methanogenesis     Anaerobic digestion     Enhancing strategy     Electron transfer     Organic waste    

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Insights into the electron transfer mechanisms of permanganate activation by carbon nanotube membrane

《环境科学与工程前沿（英文）》 2023年 第17卷 第9期 doi: 10.1007/s11783-023-1706-0

摘要：

● A CNT filter enabled effective KMnO4 activation via facilitated electron transfer.

关键词： KMnO4     Carbon nanotubes     Non-radical pathway     Electron transfer     Water treatment    

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Simultaneous Feammox and anammox process facilitated by activated carbon as an electron shuttle for autotrophic

《环境科学与工程前沿（英文）》 2022年 第16卷 第7期 doi: 10.1007/s11783-021-1498-z

摘要：

• The autotrophic nitrogen removal combining Feammox and Anammox was achieved.

关键词： Feammox     Anammox     Extracellular electron transfer     Electron shuttle     Activated carbon    

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Mechanisms behind the accelerated extracellular electron transfer in

Feng ZHANG,Shengsong YU,Jie LI,Wenwei LI,Hanqing YU

《环境科学与工程前沿（英文）》 2016年 第10卷 第3期   页码 531-538 doi: 10.1007/s11783-015-0793-y

摘要： Modification of electrode surface with carboxylic acid terminated alkanethiol self-assembled monolayers (SAMs) has been found to be an effective approach to improve the extracellular electron transfer (EET) of electrochemically active bacteria (EAB) on electrode surface, but the underlying mechanism behind such enhanced EET remains unclear. In this work, the gold electrodes modified by mercapto-acetic acid and mercapto-ethylamine (Au-COOH, Au-NH ) were used as anodes in microbial electrolysis cells (MECs) inoculated with DL-1, and their electrochemical performance and the bacteria-electrode interactions were investigated. Results showed that the redox reaction occurred on the Au-NH with a higher rate and a lower resistance than that on the Au or the Au-COOH. Both the MECs with the Au-COOH and Au-NH anodes exhibited a higher current density than that with a bare Au anode. The biofilm formed on the Au-COOH was denser than that on bare Au, while the biofilm on the Au-NH had a greater thickness, suggesting a critical role of direct EET in this system. This work suggests that functional groups such as –COOH and-NH could promote electrode performance by accelerating the direct EET of EAB on electrode surface.

关键词： biofilm     extracellular electron transfer (EET)     Geobacter sulfurreducens DL-1     gold     self-assembled monolayers    

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Assessment of vaccination strategies against highly pathogenic avian influenza in China

Honglei SUN,Jinhua LIU

《农业科学与工程前沿（英文）》 2014年 第1卷 第4期   页码 277-281 doi: 10.15302/J-FASE-2014036

摘要： Vaccination for highly pathogenic avian influenza (HPAI) has been implemented in China for a decade, however, the virus is still present in poultry. A series of recombinant vaccines, Re-1 to Re-7, have been developed and used, and Re-8 will also be used in clinical settings to prevent the prevailing flu strains. The question remains, when can China eradicate the disease? Here, we review the epidemiology of H5 HPAI along with the development, usage and problems of vaccines. Further suggestions for controlling the disease in China are provided.

关键词： highly pathogenic avian influenza     vaccine     vaccination     control    

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含能材料的新型X射线和光学诊断学研究进展 Review

张抑扬, 陈森, 蔡洋, 卢磊, 范端, 史进春, 黄俊宇, 罗胜年

《工程（英文）》 2020年 第6卷 第9期   页码 992-1005 doi: 10.1016/j.eng.2020.06.019

摘要：

含能材料在制备、加工或外刺激（如冲击压缩）过程中的热力学、物理和化学过程包含多个时空尺度，发掘其中的新现象、获取新数据以及了解内在机制都亟需时空分辨诊断技术。在本文中，我们简要回顾了一些新兴或已存在但较少应用于含能材料的新型诊断技术，包括二维（2D）和三维（3D）X射线成像、X射线衍射、相干X射线衍射成像、X射线小角度散射、太赫兹和光学吸收/发射光谱以及一维（1D）和二维激光速率/位移干涉技术。这些技术涉及的典型空间尺度主要是晶格尺度（纳米和微米），典型时间尺度包括飞秒、纳秒、微秒和毫秒；针对的科学问题和工程难题包括缺陷、强度、变形、热点、相变、反应和冲击感度。本文介绍了探测和数据分析的基本原理并辅以示例说明。同时，先进测量和实验复杂性方面还急需发展相应的数据分析和解析方法学以及多尺度模拟。

关键词： 含能材料     X射线     太赫兹和光学诊断     多尺度测量    

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Kinetics and mechanisms of reactions for hydrated electron with chlorinated benzenes in aqueous solution

Haixia YUAN,Huxiang PAN,Jin SHI,Hongjing LI,Wenbo DONG

《环境科学与工程前沿（英文）》 2015年 第9卷 第4期   页码 583-590 doi: 10.1007/s11783-014-0691-8

摘要： The reactions between chlorinated benzenes (CBzs) and hydrated electron ( ) were investigated by the electron beam (EB) and laser flash photolysis (LFP) experiments. Under the EB irradiation, the effects of irradiation dose, initial concentration and the number of Cl atoms on the removal efficiencies were further examined. At 10 kGy, the removal efficiencies of mono-CB, 1,3-diCB, 1,2-diCB and 1,4-diCB were 41.2%, 87.2%, 84.0%, and 84.1%, respectively. While irradiation dose was 50 kGy, the removal efficiencies increased to 47.4%, 95.8%, 95.0%, and 95.2%, respectively. Irradiation of CBzs solutions has shown that the higher the initial concentration, the lower the percentage of CBzs removal. In addition to this, the dechlorination efficiencies of 1,2-dichlorobenzene (1,2-diCB), 1,3-dichlorobenzene (1,3-diCB) and 1,4-dichlorobenzene (1,4-diCB) were much higher than that of chlorobenzene (mono-CB). The kinetics of the reactions was achieved with nanosecond LFP. The rate constants of second-order reaction between with mono-CB, 1,2-diCB, 1,3-diCB and 1,4-diCB were (5.3±0.4) × 10 , (4.76±0.1) × 10 , (1.01±0.1) × 10 and (3.29±0.2) × 10 L·mol ·s , respectively. Density functional theory (DFT) calculations were performed to determine the optical properties of unstable CBzs anion radicals, and the main absorption peaks lied in the range of 300–550 nm. The primary reaction pathway of CBzs with was gradual dechlorination, and the major products were Cl and benzene (CBzs(-Cl )). Furthermore, biphenyl (or chlorobiphenyl) was observed during the LFP, which was probably formed by recombination of benzene radicals.

关键词： chlorinated benzenes     hydrated electron     electron beam     laser flash photolysis    

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Potential of electron transfer and its application in dictating routes of biochemical processes associated

《医学前沿（英文）》 2021年 第15卷 第5期   页码 679-692 doi: 10.1007/s11684-021-0866-1

摘要： Metabolic reprogramming, such as abnormal utilization of glucose, addiction to glutamine, and increased de-novo lipid synthesis, extensively occurs in proliferating cancer cells, but the underneath rationale has remained to be elucidated. Based on the concept of the degree of reduction of a compound, we have recently proposed a calculation termed as potential of electron transfer (PET), which is used to characterize the degree of electron redistribution coupled with metabolic transformations. When this calculation is combined with the assumed model of electron balance in a cellular context, the enforced selective reprogramming could be predicted by examining the net changes of the PET values associated with the biochemical pathways in anaerobic metabolism. Some interesting properties of PET in cancer cells were also discussed, and the model was extended to uncover the chemical nature underlying aerobic glycolysis that essentially results from energy requirement and electron balance. Enabling electron transfer could drive metabolic reprogramming in cancer metabolism. Therefore, the concept and model established on electron transfer could guide the treatment strategies of tumors and future studies on cellular metabolism.

关键词： metabolic reprogramming     potential of electron transfer     cell proliferation     aerobic glycolysis     cancer metabolism    

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disrupting chemicals from water through urethane functionalization of microfiltration membranes via electron

《环境科学与工程前沿（英文）》 2023年 第18卷 第4期 doi: 10.1007/s11783-024-1805-6

摘要：

● Urethane functionalities created on PES membranes via electron beam irradiation.

关键词： Surface functionalization     Electron beam irradiation     Microfiltration     Endocrine disrupting chemicals    

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Clean and highly-efficient utilization of coal

Guangxi YUE, Junfu LYU, Shuiqing LI

《能源前沿（英文）》 2021年 第15卷 第1期   页码 1-3 doi: 10.1007/s11708-021-0724-5

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Correction to: Highly degradable chitosan-montmorillonite (MMT) nanocomposite hydrogel for controlled

《环境科学与工程前沿（英文）》 2023年 第17卷 第8期 doi: 10.1007/s11783-023-1704-2

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标题 作者 时间 类型 操作

Submerged arc plasma system combined with ozone oxidation for the treatment of wastewater containing non-degradable organic compounds

期刊论文

Highly selective detection of copper(II) by a “ligand-free” conjugated copolymer in nucleophilic solvents

Weixing Deng, Pengfei Sun, Quli Fan, Lei Zhang, Tsuyoshi Minami

期刊论文

超高压下的极端含能材料

毛河光, 吉诚, 李冰, 刘罡, Eugene Gregoryanz

期刊论文

机器学习辅助的高通量虚拟筛选用于实现先进含能材料按需定制

宋思维, 王毅, 陈方, 晏蜜, 张庆华

期刊论文

precise-acting” strategies for improving anaerobic methanogenesis of organic waste: Insights from the electron

期刊论文

Insights into the electron transfer mechanisms of permanganate activation by carbon nanotube membrane

期刊论文

Simultaneous Feammox and anammox process facilitated by activated carbon as an electron shuttle for autotrophic

期刊论文

Mechanisms behind the accelerated extracellular electron transfer in

Feng ZHANG,Shengsong YU,Jie LI,Wenwei LI,Hanqing YU

期刊论文

Assessment of vaccination strategies against highly pathogenic avian influenza in China

Honglei SUN,Jinhua LIU

期刊论文

含能材料的新型X射线和光学诊断学研究进展

张抑扬, 陈森, 蔡洋, 卢磊, 范端, 史进春, 黄俊宇, 罗胜年

期刊论文

Kinetics and mechanisms of reactions for hydrated electron with chlorinated benzenes in aqueous solution

Haixia YUAN,Huxiang PAN,Jin SHI,Hongjing LI,Wenbo DONG

期刊论文

Potential of electron transfer and its application in dictating routes of biochemical processes associated

期刊论文

disrupting chemicals from water through urethane functionalization of microfiltration membranes via electron

期刊论文

Clean and highly-efficient utilization of coal

Guangxi YUE, Junfu LYU, Shuiqing LI

期刊论文

Correction to: Highly degradable chitosan-montmorillonite (MMT) nanocomposite hydrogel for controlled

期刊论文