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DNA alkylation promoted by an electron-rich quinone methide intermediate

Chengyun Huang,Steven E. Rokita

《化学科学与工程前沿（英文）》 2016年 第10卷 第2期   页码 213-221 doi: 10.1007/s11705-015-1541-3

摘要： Biological application of conjugates derived from oligonucleotides and quinone methides have previously been limited by the slow exchange of their covalent self-adducts and subsequent alkylation of target nucleic acids. To enhance the rates of these processes, a new quinone methide precursor with an electron donating substituent has been prepared. Additionally, this substituent has been placed to the nascent -methylene group of the quinone methide for maximum effect. A conjugate made from this precursor and a 5'-aminohexyloligonucleotide accelerates formation of its reversible self-adduct and alkylation of its complementary DNA as predicted from prior model studies.

关键词： quione methide     DNA alkylation     reversible covalent reaction     bioconjugation     target-directed modification of nucleic acids    

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Floret-like Fe–N nanoparticle-embedded porous carbon superstructures from a Fe-covalent triazine polymer

《化学科学与工程前沿（英文）》 2023年 第17卷 第5期   页码 525-535 doi: 10.1007/s11705-022-2232-5

摘要： Fe–Nx nanoparticles-embedded porous carbons with a desirable superstructure have attracted immense attention as promising catalysts for electrochemical oxygen reduction reaction. Herein, we employed Fe-coordinated covalent triazine polymer for the fabrication of Fe–Nx nanoparticle-embedded porous carbon nanoflorets (Fe/N@CNFs) employing a hypersaline-confinement-conversion strategy. Presence of tailored N types within the covalent triazine polymer interwork in high proportions contributes to the generation of Fe/N coordination and subsequent Fe–Nx nanoparticles. Owing to the utilization of NaCl crystals, the resultant Fe/N@CNF-800 which was generated by pyrolysis at 800 °C showed nanoflower structure and large specific surface area, which remarkably suppressed the agglomeration of high catalytic active sites. As expect, the Fe/N@CNF-800 exhibited unexpected oxygen reduction reaction catalytic performance with an ultrahigh half-wave potential (0.89 V vs. reversible hydrogen electrode), a dominant 4e– transfer approach and great cycle stability (> 92% after 100000 s). As a demonstration, the Fe/N-PCNF-800-assembled zinc–air battery delivered a high open circuit voltage of 1.51 V, a maximum peak power density of 164 mW·cm–2, as well as eminent rate performance, surpassing those of commercial Pt/C. This contribution offers a valuable avenue to exploit efficient metal nanoparticles-based carbon catalysts towards energy-related electrocatalytic reactions and beyond.

关键词： Fe–Nx nanoparticles     hypersaline-confinement conversion     floret-like carbon     covalent triazine polymers     oxygen reduction reaction    

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Cobalt nanoparticle decorated N-doped carbons derived from a cobalt covalent organic framework for oxygen

《化学科学与工程前沿（英文）》 2021年 第15卷 第6期   页码 1550-1560 doi: 10.1007/s11705-021-2104-4

摘要： The low cost and highly efficient construction of electrocatalysts has attracted significant attention owing to the use of clean and sustainable energy technologies. In this work, cobalt nanoparticle decorated N-doped carbons (Co@NC) are synthesized by the pyrolysis of a cobalt covalent organic framework under an inert atmosphere. The Co@NC demonstrates improved electrocatalytic capabilities compared to N-doped carbon without the addition of Co nanoparticles, indicating the important role of cobalt. The well-dispersed active sites (Co-Nx) and the synergistic effect between the carbon matrix and Co nanoparticles greatly enhance the electrocatalytic activity for the oxygen reduction reaction. In addition, the Co content has a significant effect on the catalytic activity. The resulting Co@NC-0.86 exhibits a superb electrocatalytic activity for the oxygen reduction reaction in an alkaline electrolyte in terms of the onset potential (0.90 V), half-wave potential (0.80 V) and the limiting current density (4.84 mA·cm–2), and a high selectivity, as well as a strong methanol tolerance and superior durability, these results are comparable to those of the Pt/C catalyst. Furthermore, the superior bifunctional activity of Co@NC-0.86 was also confirmed in a home-built Zn-air battery, signifying the possibility for application in electrode materials and in current energy conversion and storage devices.

关键词： cobalt embedment     N-doped carbons     covalent organic framework     oxygen reduction     Zn-air battery    

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Learning from biological attachment devices: applications of bioinspired reversible adhesive methods

《机械工程前沿（英文）》 2022年 第17卷 第3期 doi: 10.1007/s11465-022-0699-x

摘要： Many organisms have attachment organs with excellent functions, such as adhesion, clinging, and grasping, as a result of biological evolution to adapt to complex living environments. From nanoscale to macroscale, each type of adhesive organ has its own underlying mechanisms. Many biological adhesive mechanisms have been studied and can be incorporated into robot designs. This paper presents a systematic review of reversible biological adhesive methods and the bioinspired attachment devices that can be used in robotics. The study discussed how biological adhesive methods, such as dry adhesion, wet adhesion, mechanical adhesion, and sub-ambient pressure adhesion, progress in research. The morphology of typical adhesive organs, as well as the corresponding attachment models, is highlighted. The current state of bioinspired attachment device design and fabrication is discussed. Then, the design principles of attachment devices are summarized in this article. The following section provides a systematic overview of climbing robots with bioinspired attachment devices. Finally, the current challenges and opportunities in bioinspired attachment research in robotics are discussed.

关键词： adhesion     bioinspired attachment     biomimetic gripper     climbing robot    

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Room temperature preparation of hydrazine-linked covalent organic frameworks coated capillaries for

《化学科学与工程前沿（英文）》 2023年 第17卷 第5期   页码 548-556 doi: 10.1007/s11705-022-2252-1

摘要： Covalent organic frameworks (COFs) have been increasingly used in capillary electrochromatography due to their excellent characteristics. In this work, hydrazine-linked TFPB-DHzDS (TFPB: 1,3,5-tris(4-formylphenyl)benzene; DHzDS: 2,5-bis(3-(ethylthio)propoxy)terephthalohydrazide) was first synthesized by a simpler and easier method at room temperature and introduced into capillary electrochromatography as coating material. The TFPB-DHzDS coated capillaries were prepared by an in-situ growth process at room temperature. After optimizing the coating concentration and experimental conditions of capillary electrochromatography, baseline separation of two groups of polycyclic aromatic hydrocarbons was achieved based on the TFPB-DHzDS coated capillary. And the established method was used successfully to determine PAHs in natural water and soil samples. The spiked recoveries of polycyclic aromatic hydrocarbons in these samples ranged from 90.01% to 111.0%, indicating that the method is reliable and could detect polycyclic aromatic hydrocarbons in natural samples. Finally, molecular simulation was applied to study and visualize the interaction between the analytes and coating COF materials to investigate the molecular level separation mechanism further.

关键词： hydrazine-linked TFPB-DHzDS     in-situ growth method     open-tubular capillary electrochromatography     molecular simulations    

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Preparation of biomass-derived carbon loaded with MnO as lithium-ion battery anode for improving its reversible

《化学科学与工程前沿（英文）》 2023年 第18卷 第1期 doi: 10.1007/s11705-023-2376-y

摘要： Biomass-derived carbon materials for lithium-ion batteries emerge as one of the most promising anodes from sustainable perspective. However, improving the reversible capacity and cycling performance remains a long-standing challenge. By combining the benefits of K2CO3 activation and KMnO4 hydrothermal treatment, this work proposes a two-step activation method to load MnO2 charge transfer onto biomass-derived carbon (KAC@MnO2). Comprehensive analysis reveals that KAC@MnO2 has a micro-mesoporous coexistence structure and uniform surface distribution of MnO2, thus providing an improved electrochemical performance. Specifically, KAC@MnO2 exhibits an initial charge-discharge capacity of 847.3/1813.2 mAh·g–1 at 0.2 A·g–1, which is significantly higher than that of direct pyrolysis carbon and K2CO3 activated carbon, respectively. Furthermore, the KAC@MnO2 maintains a reversible capacity of 652.6 mAh·g–1 after 100 cycles. Even at a high current density of 1.0 A·g–1, KAC@MnO2 still exhibits excellent long-term cycling stability and maintains a stable reversible capacity of 306.7 mAh·g–1 after 500 cycles. Compared with reported biochar anode materials, the KAC@MnO2 prepared in this work shows superior reversible capacity and cycling performance. Additionally, the Li+ insertion and de-insertion mechanisms are verified by ex situ X-ray diffraction analysis during the charge-discharge process, helping us better understand the energy storage mechanism of KAC@MnO2.

关键词： biomass-derived carbon     MnO2     lithium-ion batteries     anode material     high reversible capacity    

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Covalent triazine framework with efficient photocatalytic activity in aqueous and solid media

Cyrine Ayed, Wei Huang, Kai A. I. Zhang

《化学科学与工程前沿（英文）》 2020年 第14卷 第3期   页码 397-404 doi: 10.1007/s11705-019-1884-2

摘要： Covalent triazine frameworks (CTFs) have been recently employed for visible light-driven photocatalysis due to their unique optical and electronic properties. However, the usually highly hydrophobic nature of CTFs, which originates from their overall aromatic backbone, leads to limitations of CTFs for applications in aqueous media. In this study, we aim to extend the range of the application media of CTFs and design hybrid material of a CTF and mesoporous silica (SBA-15) for efficient photocatalysis in aqueous medium. A thiophene-containing CTF was directly synthesized in mesopores of SBA-15. Due to the high surface area and the added hydrophilic properties by silica, the hybrid material demonstrated excellent adsorption of organic molecules in water. This leads not only to high photocatalytic performance of the hybrid material for the degradation of organic dyes in water, but also for efficient photocatalysis in solvent-free and solid state. Furthermore, the reusability, stability and easy recovery of the hybrid material offers promising metal-free heterogeneous photocatalyst for broader applications in different reaction media.

关键词： photocatalysis     covalent triazine framework     aqueous medium     SBA-15     solid state    

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基于量子点元胞自动机的超高效可逆块的纳米设计 Research Article

Seyed Sajad AHMADPOUR1, Nima Jafari NAVIMIPOUR1, Mohammad MOSLEH2, Senay YALCIN3

《信息与电子工程前沿（英文）》 2023年 第24卷 第3期   页码 447-456 doi: 10.1631/FITEE.2200095

摘要： 可逆逻辑由于其固有的降低能量耗散的能力最近受到极大关注。这种降低能量耗散的能力是低功耗数字电路的首要需求。可逆逻辑是相关研究的最新领域之一，在纳米技术、DNA计算、量子计算、容错和低功耗互补金属氧化物半导体（CMOS）等方面都有广泛应用。一个电路如果具有相同数量的输入和输出，并且是一一对应的，则被归类为可逆电路。如果输入和输出的异或门相等，则可逆电路是保守的。此外，量子点元胞自动机（QCA）是最先进的方法之一，可以替代传统技术。因此，本文提出一种低功耗、高速度的高效保守门。首先提出一个可逆门ANG (Ahmadpour Navimipour Gate)，然后在QCA技术中实现非抗性ANG和可逆容错ANG两种结构。通过米勒算法实现所提可逆门，并通过2DW（二维设计）时钟电路图实现可逆容错ANG。此外，在不同的能量范围（0.5Ek，1.0Ek和1.5Ek）评估所提ANG门的功耗，并使用QCADesigner 2.0.03和QCAPro软件进行结构模拟和功耗分析。与之前的设计相比，所提可逆门具有很大提升。

关键词： 纳米技术；可逆逻辑；能量耗散；量子点元胞自动机（QCA）；可逆门；米勒算法    

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Performance assessment of a power-to-gas process based on reversible solid oxide cell

Hanaâ Er-rbib, Nouaamane Kezibri, Chakib Bouallou

《化学科学与工程前沿（英文）》 2018年 第12卷 第4期   页码 697-707 doi: 10.1007/s11705-018-1774-z

摘要：

Due to the foreseen growth of sustainable energy utilization in the upcoming years, storage of the excess production is becoming a rather serious matter. In this work, a promising solution to this issue is investigated using one of the most emerging technologies of electricity conversion: reversible solid oxide cells (RSOC). A detailed model was created so as to study the RSOC performance before implementing it in the global co-electrolysis Aspen PlusTM model. The model was compared to experimental results and showed good agreement with the available data under steady state conditions. The system was then scaled up to a 10 MW co-electrolysis unit operating at 1073 K and 3 bar. The produced syngas is subsequently directed to a methanation unit to produce a synthetic natural gas (SNG) with an equivalent chemical power of 8.3 MWth. Additionally, as a result of a heat integration analysis, the methanation process provides steam and electricity to operate the rest of the units in the process. A final CO2 capture step is added to ensure the required specifications of the produced SNG for gas network injection. Lastly, the overall performance of the power-to-gas process was evaluated taking into account the energy consumption of each unit.

关键词： renewable electricity     storage     co-electrolysis     methanation     carbone capture    

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Function-reversible facets enabling SrTiO nanocrystals for improved photocatalytic hydrogen evolution

《能源前沿（英文）》 doi: 10.1007/s11708-023-0894-4

摘要： It has been widely reported that, for faceted nanocrystals, the two adjacent facets with different band levels contribute to promoted charge separation, and provide active sites for photocatalytic reduction and oxidation reaction, respectively. In such cases, only one family of facets can be used for photocatalytic hydrogen evolution. Herein, by using SrTiO3 nanocrystals enclosed by {023} and {001} facets as a model photocatalyst, this paper proposed a strategy to achieve the full-facets-utilization of the nanocrystals for photocatalytic hydrogen via chemically depositing Pt nanoparticles on all facets. The photo-deposition experiment of CdS provided direct evidence to demonstrate that the {023} facets which were responsible for photooxidation reaction can be function-reversed for photocatalytic hydrogen evolution after depositing Pt nanoparticles, together with the {001} facets. Thus, the full-facets-utilization led to a much-improved activity for photocatalytic hydrogen, in contrast to those SrTiO3 nanocrystals with only {001} facets deposited by Pt nanoparticles via a photo-deposition method.

关键词： SrTiO3 nanocrystals     crystal facets     photocatalysis     hydrogen evolution    

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Amino acid promoted hydrogen battery system using Mn-pincer complex for reversible CO hydrogenation to

《能源前沿（英文）》 2022年 第16卷 第5期   页码 697-699 doi: 10.1007/s11708-022-0843-7

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Quantum-dot cellular automata based reversible low power parity generator and parity checker design for

Jadav Chandra DAS,Debashis DE

《信息与电子工程前沿（英文）》 2016年 第17卷 第3期   页码 224-236 doi: 10.1631/FITEE.1500079

摘要： Quantum-dot cellular automata (QCA) is an emerging area of research in reversible computing. It can be used to design nanoscale circuits. In nanocommunication, the detection and correction of errors in a received message is a major factor. Besides, device density and power dissipation are the key issues in the nanocommunication architecture. For the first time, QCA-based designs of the reversible low-power odd parity generator and odd parity checker using the Feynman gate have been achieved in this study. Using the proposed parity generator and parity checker circuit, a nanocommunication architecture is proposed. The detection of errors in the received message during transmission is also explored. The proposed QCA Feynman gate outshines the existing ones in terms of area, cell count, and delay. The quantum costs of the proposed conventional reversible circuits and their QCA layouts are calculated and compared, which establishes that the proposed QCA circuits have very low quantum cost compared to conventional designs. The energy dissipation by the layouts is estimated, which ensures the possibility of QCA nano-device serving as an alternative platform for the implementation of reversible circuits. The stability of the proposed circuits under thermal randomness is analyzed, showing the operational efficiency of the circuits. The simulation results of the proposed design are tested with theoretical values, showing the accuracy of the circuits. The proposed circuits can be used to design more complex low-power nanoscale lossless nanocommunication architecture such as nano-transmitters and nano-receivers.

关键词： Quantum-dot cellular automata (QCA)     Parity generator     Parity checker     Feynman gate     Nanocommunication     Power dissipation    

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对双层组件4D打印可逆性的初步研究 Article

Amelia Yilin Lee, Jia An, Chee Kai Chu, Yi Zhang

《工程（英文）》 2019年 第5卷 第6期   页码 1159-1170 doi: 10.1016/j.eng.2019.09.007

摘要：

增材制造的快速发展和形状记忆聚合物材料的进步推动了四维（4D）打印技术的进展。随着设计方面的不断改进，逐渐证明有可能实现可逆4D打印或双向4D打印。这项技术将完全消除对人为干预的需要，因为编程完全由外部刺激驱动，这使得4D打印部件可以在多个周期内启动。本研究提出了一种新的可逆4D打印驱动方法，其中弹性体的溶胀和热量用于编程阶段，以及热量用于恢复阶段。本研究的主要重点在于自驱动设计这一步骤。为了实现对弯曲的控制，已经开发了一种简单的预测模型用于研究曲率。此外，为了更好地了解模型对曲率的预测程度，对参数、温度和弹性体厚度也进行了研究。采用这种方式理解曲率可以提供对可逆4D打印结构的高度控制。

关键词： 4D打印     增材制造     形状记忆聚合物     可逆4D打印     双向4D打印     溶胀弹性体    

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基于量子元胞自动机的可逆二进制减法器设计 Article

Jadav Chandra DAS, Debashis DE

《信息与电子工程前沿（英文）》 2017年 第18卷 第9期   页码 1416-1429 doi: 10.1631/FITEE.1600999

摘要： 在纳米技术领域，量子元胞自动机（quantum dot-cellular automata, QCA）可作为传统互补金属氧化物半导体（complementary metal oxide semiconductor, CMOS）电路的替代方案，具有可观的发展前景。QCA设备密度高，运行速度快，且功耗极低。在QCA中，可逆逻辑有着广泛应用。研究者已开发多个基于QCA的可逆逻辑电路，但基于QCA的可逆二进制减法器研究却不多见。QCA低功耗和高电流密度的特点，使其可用于设计纳米尺度节能逻辑电路。然而，其对大量逻辑门的需求和不利的无用输出，可能限制基于QCA逻辑电路的功能。我们利用QCA设计并实现了一个DG门，实现了DG门的普遍特征。利用该DG门的QCA部分，可以获得新的可逆二进制减法器。相比现有可逆减法器，我们设计的减法器量子成本低，无用输出少。电路设计与模拟基于QCA Designer-2.0.3软件。

关键词： 量子元胞自动机（quantum dot-cellular automata     QCA）；可逆逻辑；DG门；二进制减法器；量子成本    

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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 C5–8 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 C5–8 n/iso/cyclo-paraffins from a thermodynamic point of view.

关键词： naphtha     catalytic pyrolysis     reaction pathway     equilibrium yield    

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标题 作者 时间 类型 操作

DNA alkylation promoted by an electron-rich quinone methide intermediate

Chengyun Huang,Steven E. Rokita

期刊论文

Floret-like Fe–N nanoparticle-embedded porous carbon superstructures from a Fe-covalent triazine polymer

期刊论文

Cobalt nanoparticle decorated N-doped carbons derived from a cobalt covalent organic framework for oxygen

期刊论文

Learning from biological attachment devices: applications of bioinspired reversible adhesive methods

期刊论文

Room temperature preparation of hydrazine-linked covalent organic frameworks coated capillaries for

期刊论文

Preparation of biomass-derived carbon loaded with MnO as lithium-ion battery anode for improving its reversible

期刊论文

Covalent triazine framework with efficient photocatalytic activity in aqueous and solid media

Cyrine Ayed, Wei Huang, Kai A. I. Zhang

期刊论文

基于量子点元胞自动机的超高效可逆块的纳米设计

Seyed Sajad AHMADPOUR1, Nima Jafari NAVIMIPOUR1, Mohammad MOSLEH2, Senay YALCIN3

期刊论文

Performance assessment of a power-to-gas process based on reversible solid oxide cell

Hanaâ Er-rbib, Nouaamane Kezibri, Chakib Bouallou

期刊论文

Function-reversible facets enabling SrTiO nanocrystals for improved photocatalytic hydrogen evolution

期刊论文

Amino acid promoted hydrogen battery system using Mn-pincer complex for reversible CO hydrogenation to

期刊论文

Quantum-dot cellular automata based reversible low power parity generator and parity checker design for

Jadav Chandra DAS,Debashis DE

期刊论文

对双层组件4D打印可逆性的初步研究

Amelia Yilin Lee, Jia An, Chee Kai Chu, Yi Zhang

期刊论文

基于量子元胞自动机的可逆二进制减法器设计

Jadav Chandra DAS, Debashis DE

期刊论文

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

期刊论文