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Design， Synthesis and Fungicidal Activity of Pyrazinamide Analogs WANG Gang, LIANG Shuang, SHAN Zhonggang, YING Junwu, LYU Liang, LI Bin, YANG Huibin Chem. J. Chinese Universities    2024, 45 (10): 20240369-.   DOI: 10.7503/cjcu20240369 Abstract （314）   HTML （14）    PDF（pc） （4355KB）（5467）       Knowledge map    Save Pyraziflumid was a novel pyrazinamide analog fungicide developed by Nihon Nohyaku Co. In this work， 16 pyrazinamide analogs were synthesized using substituted pyrazine acid and 2-methyl-3-nitrophenol as initial materials through 4 steps. The structures of the target compounds were confirmed by nuclear magnetic resonance （1H NMR， 13C NMR） and high resolution mass spectrometer（HRMS）. The results of fungicidal activity at greenhouse showed that pyrazinamide analogs had excellent fungicidal activities against corn rust at 6.25 mg/L. Among them， the fungicidal activities of compounds 4， 5， 7， 8， 15 and 16 against corn rust at 6.25 mg/L were 100%. Molecular docking simulations revealed that compound 16 interacted with TRP-173 of succinate dehydrogenase（SDH） through hydrogen bonding， which could explain the probable mechanism of action between compound 16 and the target protein. These results indicated that compound 16 might be a promising fungicide candidate and provide valuable reference for further investigation. Table and Figures | Reference | Related Articles | Metrics

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Fabrication and Properties of Epoxy Vitrimer Based on Multiply Dynamic Covalent Bonds YANG Weiming, XI Aoqian, YANG Bin, ZENG Yanning Chem. J. Chinese Universities    2022, 43 (11): 20220308-.   DOI: 10.7503/cjcu20220308 Abstract （561）   HTML （25）    PDF（pc） （8349KB）（2407）       Knowledge map    Save Traditional epoxy networks were wildly applied in composites， adhesives， coatings， electronic packaging and insulating materials， due to their excellent properties and stable network structure. However， once epoxy networks are formed， they cannot be reprocessed. When epoxy networks are damaged during the serving time， they cannot be self-healed. Epoxy vitrimers networks with dynamic reversible covalent bonds can reorganized their network typology under external stimuli， contributing to network reprocessing and self-healing. Currently， most epoxy vitrimers show a high temperature for reprocessing and self-healing， consuming high energy. Herein， the epoxy vitrimers with tri-dynamic covalent bonds（boronic ester bond， disulfide bond and ester bond） were fabricated by epoxy-thiol “click” reaction and epoxy-carboxylic acid reaction. The structures of the prepared epoxy vitrimers were characterized by Fourier transform Infrared spectrometer（FTIR） and Raman spectroscopy， and hydrogen bonds were found in the prepared epoxy vitrimers contributing to improvement of crosslink density. Meanwhile， the thermal stability， thermo-mechanical properties and mechanical properties of the prepared epoxy vitrimers were investigated by thermogravimetry（TG）， dynamic mechanical analysis（DMA） and tensile testing. Furthermore， self-healing， welding， shape memory and reprocessing capabilities of the prepared epoxy vitrimers were researched. The results display that at 80 ℃ the scratches on the prepared epoxy vitrimers can be fully recovered and the welding recovery of tensile strength of the prepared epoxy vitrimers is >80%， indicating excellent functionality. Table and Figures | Reference | Related Articles | Metrics

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Cover and Content of Chemical Journal of Chinese Universities Vol.44 No.6(2023) Chem. J. Chinese Universities    2023, 44 (6): 1-6.   Abstract （261）      PDF（pc） （53746KB）（2113）       Knowledge map    Save Related Articles | Metrics

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Green Electrosynthesis Reaction of Potassium Azotetrazolium Salt Coupled by Hydrogen Production from Water Electrolysis by WS2 Nano Sheets YAO Tianhao, MA Yuhe, LIU Bolong, MA Yuqiang, ZHANG Cong, LI Jiachen, MA Haixia Chem. J. Chinese Universities    2023, 44 (12): 20230347-.   DOI: 10.7503/cjcu20230347 Abstract （459）   HTML （9）    PDF（pc） （5908KB）（1916）       Knowledge map    Save As a four-electron multi-step reaction process with sluggish kinetics， oxygen evolution reaction（OER） limits the reaction rate and reduces the overall efficiency of overall water splitting. Replacing OER with the oxidation reaction of thermodynamically more favorable organic energetic materials and coupling with hydrogen evolution reaction（HER）， so that the high value-added chemical products can be obtained while reducing the overall cell voltage to generate hydrogen. In this paper， a novel coupling system was proposed， in which the energy-containing ionic salt， potassium azotetrazolium salt（K2AZT）， was prepared on the anode side， and carbon cloth-supported tungsten disulfide nanosheets（CC@WS2 NSs） were used as HER catalyst to promote the HER on the cathode side. The system only requires a cell voltage of 1.65 V to achieve a current density of 10 mA/cm 2， which is 220 mV lower than that of conventional electrolyzed water（1.87 V）. In addition， the coupled system maintained smooth operation for at least 15 h， showing excellent stability. At the same time， the preparation of energetic compounds by green and safe electrochemical method avoids the problems of high energy consumption， high risk and high cost of traditional organic synthesis method， and provides a new synthesis strategy for the safe production of energetic materials. Table and Figures | Reference | Supplementary Material | Related Articles | Metrics

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Applications of Metal-organic Framework-based Material in Carbon Dioxide Photocatalytic Conversion ZHAO Yingzhe, ZHANG Jianling Chem. J. Chinese Universities    2022, 43 (7): 20220223-.   DOI: 10.7503/cjcu20220223 Abstract （803）   HTML （29）    PDF（pc） （4990KB）（1534）       Knowledge map    Save Converting carbon dioxide（CO2） into fuels or high-additional-valued chemicals is an efficient route to decrease atmospheric CO2 concentration and mitigate green-house effect. Particularly， the photocatalytic CO2 conversion is of importance due to its mild reaction condition and low energy consumption. Metal-organic framework-based（MOF-based） materials are a kind of efficient catalyst for CO2 photocatalytic conversion owing to their unique features such as large specific surface area， good photoelectric properties and various tunability. In this article， the applications of MOF-based materials in CO2 photocatalytic reduction， cycloaddition and carboxylation in recent two years were reviewed. The advantages， limitations and future development of MOF-based materials for photocatalytic CO2 conversion reactions were discussed. Table and Figures | Reference | Related Articles | Metrics

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Recent Advances in Amorphous FePO4 for Sodium-Ion Battery Cathodes SHENG Xinru, ZHANG Zhuangzhuang, DING Tangjing, LIAO Jiaying, ZHOU Xiaosi Chem. J. Chinese Universities    2023, 44 (5): 20220724-.   DOI: 10.7503/cjcu20220724 Abstract （678）   HTML （24）    PDF（pc） （1386KB）（1470）       Knowledge map    Save With the increasingly serious energy and environmental problems， the development of green energy storage and conversion technologies becomes more and more crucial. As an environmentally friendly energy storage device， the rapid development of the sodium-ion batteries（SIBs） has stimulated the demand for high-performance cathode materials. Among various kinds of cathode materials， amorphous iron phosphate（FePO4） has attracted enormous attention as a promising cathode material for sodium-ion batteries because of its high theoretical specific capacity and superior electrochemical reversibility. Herein， this review is focused on recent advances in amorphous FePO4 for sodium-ion battery cathodes. First， the common characteristics and applications of amorphous FePO4 are introduced. Next， the synthesis methods are summarized， including template synthesis， hydrothermal synthesis and some other methods. Subsequently， the research progress of strategies to improve sodium-ion storage properties is introduced in detail， with an emphasis on the relationship between structure and performance. Finally， the conclusion and prospects in this field are discussed. Table and Figures | Reference | Related Articles | Metrics

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Rapid Grafting of Phenylboronic Acid with Hydroxypropyl Chitosan Mediated by HATU LI Aoqi, HU Chuanzhi, SHI Han, DENG Mingyu, XIAO Bo, JIANG Bo Chem. J. Chinese Universities    2023, 44 (6): 20220698-.   DOI: 10.7503/cjcu20220698 Abstract （810）   HTML （21）    PDF（pc） （1100KB）（1441）       Knowledge map    Save Phenylboronic acid（PBA） can form reversible covalent bonds with cis-1，2-diol or 1，3-diol in an aqueous solution， which makes it useful as the glucose-responsive units or dynamic cross-linking groups in nano/hydrogels. In this paper， PBA was efficiently grafted on hydroxypropyl chitosan（HPCS） by employing 2-（7-azabenzotriazol-1-yl）- N，N，N'，N'-tetramethyluronium hexafluorophosphate（HATU） as a coupling reagent in dimethyl sulfoxide（DMSO）. The resulting carboxyphenylboronic acid-grafted hydroxypropyl chitosan（CPBA-HPCS） was soluble when pH>8.5， and the structure was characterized and confirmed by Fourier-transform infrared spectroscopy（FTIR） and nuclear magnetic resonance（NMR）. In addition， the kinetics of the reaction were studied and a series of CPBA-HPCS with different substitution degrees（up to 0.78） was prepared. This novel chitosan derivative has good application prospects in the preparation of smart hydrogels and drug carriers. Table and Figures | Reference | Related Articles | Metrics

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有机太阳能电池专刊 李永舫, 陈红征, 朱晓张, 何凤 Chem. J. Chinese Universities    2023, 44 (9): 1-4.   Abstract （460）      PDF（pc） （1427KB）（1433）       Knowledge map    Save Related Articles | Metrics

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Visible-light-driven Selective Reduction of Carbon Dioxide Catalyzed by Earth-abundant Metalloporphyrin Complexes QIU Liqi, YAO Xiangyang, HE Liangnian Chem. J. Chinese Universities    2022, 43 (7): 20220064-.   DOI: 10.7503/cjcu20220064 Abstract （1125）   HTML （46）    PDF（pc） （8391KB）（1402）       Knowledge map    Save With the increasing energy shortage and environmental problems， the search for clean and renewable energy sources to replace fossil fuels is one of the most urgent tasks facing scientists in this century. In order to achieve our "carbon neutrality" strategic goal， the conversion of carbon dioxide（CO2） into clean fuels and chemicals using solar energy is one of the ways to achieve the sustainable development of our society. The catalyst is the core component of CO2 photoreduction technology， which can adsorb gaseous CO2 molecules and reduce them to small energy molecules such as carbon monoxide（CO）， formic acid（HCOOH）， methanol（CH3OH） and methane（CH4） under visible light irradiation. Currently， promising progress has been made in the development of novel CO2 reduction photocatalytic systems. This review summarizes the recent progress of homogeneous and heterogeneous earth-abundant metalloporphyrin-based catalysts for photocatalytic CO2 reduction， and introduces the reaction mechanism of CO2 photoreduction to CO or CH4 by homogeneous metalporphyrin catalysts， respectively， and also discusses the important applications of metalloporphyrin-based porous organic polymers with porphyrin organometallic frameworks for photocatalytic CO2 reduction. Finally， the prospect of visible-light-driven metalloporphyrin complex-catalyzed CO2 reduction is presented. Table and Figures | Reference | Related Articles | Metrics

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CO2-involved Electrochemical C—N Coupling into Value-added Chemicals WANG Ruhan, JIA Shunhan, WU Limin, SUN Xiaofu, HAN Buxing Chem. J. Chinese Universities    2022, 43 (7): 20220395-.   DOI: 10.7503/cjcu20220395 Abstract （597）   HTML （30）    PDF（pc） （5957KB）（1341）       Knowledge map    Save CO2 is the main greenhouse gas and an important C1 resource. C—N bonds formation plays an important role in chemical industry， biosynthesis and medicine. In recent years， with the deepening of carbon neutrality and green chemistry concept， the strategy of electrochemical C—N bonds construction has attracted much attention due to its advantages of environmental benign， low carbon， simplicity and green. At the same time， continuous consumption of fossil resource results in a series of environmental and resource problems， and the green sustainable synthesis of important chemicals and fuels is attracting increasing attention. This paper focuses on the research progress of CO2-involved electrochemical C—N formation to prepare important chemicals. The electrochemical synthesis of urea， amide and amine are reviewed from the perspectives of catalytic system construction， reaction processes， and reaction mechanism. Finally， the critical challenges remaining in this research area and promising directions for future research are discussed. Table and Figures | Reference | Related Articles | Metrics

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Visible Light-driven Carboxylation with CO2 ZHANG Zhen, DENG Yu, ZHANG Qinfang, YU Dagang Chem. J. Chinese Universities    2022, 43 (7): 20220255-.   DOI: 10.7503/cjcu20220255 Abstract （1999）   HTML （105）    PDF（pc） （11197KB）（1307）       Knowledge map    Save Carbon dioxide（CO2） is not only a well-known greenhouse gas but also one important C1 resource. It is very important to realize organic transformations with CO2 to generate high value-added compounds. Given the importance of carboxylic acid and derivatives which are widely found in natural products， medicines， daily chemicals and industrial raw materials， the synthesis of carboxylic acids with CO2 has become an important research direction. On the other hand， high temperature and other harsh conditions are always required in this field due to the low reactivity of CO2. To solve such problems， visible light is used as an clean energy source to drive the effective transformations of CO2， which has been developed significantly in last few years. This review mainly introduced and summarized the visible light-driven carboxylation with CO2 in recent years， and classified them according to types of important chemical raw materials， such as alkenes， alkynes， aldehydes and ketones， imines organo（pseudo）halides and others. The characteristics and mechanisms of each reaction were discussed. In addition， this review also provided perspective to this emerging field. Reference | Related Articles | Metrics

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Preparation and Catalytic Performance of Surface-covered AuNPs@PNIPAM Composite Particles YAN Yutian, WU Si, CHANG Kangkang, XIA Yuzheng, CHEN Xiaonong, SHI Shuxian Chem. J. Chinese Universities    2023, 44 (4): 20220636-.   DOI: 10.7503/cjcu20220636 Abstract （352）   HTML （15）    PDF（pc） （5605KB）（1302）       Knowledge map    Save Gold nanoparticles（AuNPs） with high surface energy are easy to agglomerate in water， which restricts their applications. In this study， poly（N-isopropyl acrylamide）（PNIPAM） microgel and AuNPs were combined by electrostatic interaction through physical blending method inorder to cause negative citrate-stabilized AuNPs absorbed on the surface of positive PNIPAM microgels. The prepared surface-covered AuNPs@PNIPAM particles not only have excellent dispersion stability， but also exhibit a temperature-dependent colorimetric property， showing a reversible change of “red→purple→red” during the temperature change of 25 ℃→50 ℃→25 ℃. In addition， the p-nitrophenol（4-NP） reduction reaction was used as the simulated catalytic reaction to examine the catalytic performance of AuNPs@PNIPAM. The results showed that the catalytic performance of AuNPs@PNIPAM first decreased and then increased with temperature. Compared to similar materials reported in the literature， the AuNPs@PNIPAM showed both temperature-colorimetric properties and catalytic performance. Table and Figures | Reference | Related Articles | Metrics

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Progress of CO2 Electroreduction to Oxalic Acid SONG Dewen, WANG Mingwang, WANG Yani, JIAO Zhenmei, NING Hui, WU Mingbo Chem. J. Chinese Universities    2022, 43 (7): 20220248-.   DOI: 10.7503/cjcu20220248 Abstract （1483）   HTML （107）    PDF（pc） （4807KB）（1267）       Knowledge map    Save In recent years， climate issues such as global warming caused by excessive carbon dioxide emissions have attracted wide attention around the world. And carbon emission reduction has become a common challenge to the sustainable development of human society. The conversion of carbon dioxide into high value-added chemicals by electrochemical methods is one of the ideal ways to achieve emission reduction and high value-added utilization of carbon dioxide. However， there are still many problems such as high energy consumption， low carbon dioxide conversion， poor product selectivity and difficult separation. In this paper， we take the electroreduction of carbon dioxide to oxalic acid as an example， comprehensively introduce the research progress from the aspects of reaction mechanism， catalysts， electrolyte， electrode and reactor. The key problems in the production of oxalic acid by carbon dioxide electroreduction are discussed and some valuable suggestions are put forward for the future research of carbon dioxide electroreduction to oxalic acid. Table and Figures | Reference | Related Articles | Metrics

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Efficient Oil-water Separation at the g-C3N4/TiO2-PVDF Photoresponsive Membrane Interface： Permeability and Selectivity Differences Induced by Different Exposed Crystal Planes and Performance ZU Peng, YUAN Pengcheng, WANG Shuguang, SUN Xuefei Chem. J. Chinese Universities    2023, 44 (6): 20230085-.   DOI: 10.7503/cjcu20230085 Abstract （392）   HTML （7）    PDF（pc） （7812KB）（1245）       Knowledge map    Save Membrane technology is constrained by membrane fouling of oil droplet obstruction in oil-water separation. A crucial step toward effective oil-water separation is the construction of a functional interface for selective separation of the oil-water mixture. In this paper， g-C3N4/TiO2-PVDF（polyvinglidene fluoride） photocatalytic membranes with different exposed crystal planes of TiO2 were prepared， and the effects of different exposed crystal planes on oil-water separation were studied. The experimental results show that the TiO2（001） surface endows the g-C3N4/ TiO2（001）-PVDF membrane with excellent superhydrophilicity and underwater superoleophobicsuperoil transport properties under sunlight irradiation， and compared with the TiO2（101） surface exposed membrane， g-C3N4/ TiO2（001）-PVDF membrane has better oil-water separation performance. Under visible light， the pure water flux of g-C3N4/TiO2（001）-PVDF membrane reaches 2002.9 L·m‒2·h‒1， which is 60.8% higher than that of g-C3N4/TiO2（101）- PVDF membrane， and 47.1% higher than that under dark conditions. Simultaneously， the rejection efficiency of the five kinds of oil substances is more than 99%， and the high permeation flux of 420.4—665.2 L·m‒2·h‒1 is maintained. The highest rejection efficiency of g-C3N4/TiO2（101）-PVDF membrane is only 61.8%， and the permeation flux is less than 200 L·m‒2·h‒1. The mechanism of different crystal planes was explored by transient photocurrent response and electron paramagnetic resonance technology. The results showed that the g-C3N4/TiO2（001）-PVDF membrane had a stronger light response current and more hydroxyl radical production. The permeation flux of g-C3N4/TiO2（001）-PVDF membrane was still 264 L·m‒2·h‒1 after a 360 min continuous experiment. High rejection efficiency and permeation flux were always maintained in the 8 cycles of regeneration experiments. Obviously， the photocatalytic membrane with exposed TiO2（001） has a greater permeability， selectivity， and stability， which is more appropriate for the effective separation of oil-water wastewater. Table and Figures | Reference | Related Articles | Metrics

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Split Intein： a Versatile Tool for Traceless Peptide Segment Ligation HAN Dongyang, REN Yuxiang, YANG Ziyi, HUANG He, ZHENG Jishen Chem. J. Chinese Universities    2023, 44 (10): 20230188-.   DOI: 10.7503/cjcu20230188 Abstract （992）   HTML （53）    PDF（pc） （5394KB）（1155）       Knowledge map    Save Split intein can efficiently ligate peptide segments via a splicing reaction in a traceless manner and therefore has attracted great attention. Based on the structural characteristics and splicing reaction process of split intein， this paper comprehensively reviewed the recent progresses on the performance optimization and expanded applications of split intein， and revealed its great potential in the field of chemical protein synthesis as an increasingly sophisticated protein engineering technology. Finally， the challenges presented in the split intein- mediated protein trans-splicing and potential solutions in the future research were briefly discussed. Table and Figures | Reference | Related Articles | Metrics

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Recent Advances in Metal-organic Framework Derived Hollow Superstructures： Synthesis and Applications ZOU Yingying, ZHANG Chaoqi, YUAN Ling, LIU Chao, YU Chengzhong Chem. J. Chinese Universities    2023, 44 (1): 20220613-.   DOI: 10.7503/cjcu20220613 Abstract （619）   HTML （37）    PDF（pc） （27446KB）（1149）       Knowledge map    Save Rational design of metal-organic framework（MOF） derived functional materials with elaborate structures is of great significance for diverse applications. Assembly of simple MOF derivatives as building blocks into hollow superstructures（HSSs） represents a promising strategy for creating higher-order structures with improved performance. Even many excellent reviews on MOF derivatives have been reported， a dedicated review from the angle of synthesis and applications of HSSs is still lacking. Here we provide a timely and systematic review on the recent advances of MOF derived HSSs. Firstly， five types of MOF derived HSSs are classified according to their architectural features. Then， the synthesis strategies for creating HSSs from MOF derivatives are summarized， with an emphasis on how to design MOF precursors and select conversion conditions. Afterwards， the promising applications of MOF derived HSSs in energy and catalysis related fields are highlighted. Finally， our perspectives on challenges and future opportunities in MOF-derived HSSs are presented， aiming to provide guidance for the design of advanced MOF derivatives with intricate structures and enhanced properties. Table and Figures | Reference | Related Articles | Metrics

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Research Progress of Controllable Self-assembled DNA Origami Structure as Drug Carrier WU Yushuai, SHANG Yingxu, JIANG Qiao, DING Baoquan Chem. J. Chinese Universities    2022, 43 (8): 20220179-.   DOI: 10.7503/cjcu20220179 Abstract （847）   HTML （54）    PDF（pc） （9692KB）（1145）       Knowledge map    Save In the past few decades， structural DNA nanotechnology， as a rapidly developing， controllable self- assembling strategy， enables the design and construction of a variety of sophisticated nanostructures. Particularly， DNA origami structures feature unique properties， such as rationally designed geometry， precise spatial addressabi?lity， easy of modification and good biocompatibility， which provide them with broad prospects in drug delivery. In this minireview， the research progresses of drug delivery systems based on the DNA origami technique were summarized. The future development prospects of DNA origami nanocarriers and remaining challenges in this field were also discussed. Table and Figures | Reference | Related Articles | Metrics

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Construction and Application of Polylysine Peptide Modified Gelatin Multifunctional Hydrogel JIANG Yunjing, HUANG Tongdai, CAO Yuyu, BAI Rongxian, WU Jie, WANG Zuxi, SUN Hongmei Chem. J. Chinese Universities    2024, 45 (1): 20230312-.   DOI: 10.7503/cjcu20230312 Abstract （647）   HTML （32）    PDF（pc） （7288KB）（1140）       Knowledge map    Save The ε-polylysine（EPL） antibacterial peptide was grafted onto gelatin to synthesize EPL-modified gelatin（GEL-E）， afterwards， a multifunctional hydrogel， GEL-E/CMC/OCS hydrogel， with injectable， self-healing and antibacterial properties was prepared using GEL-E， carboxymethyl chitosan（CMC） and chondroitin oxysulfate（OCS）.The experimental results showed that the hydrogel prepared has high energy storage modulus， elastic deformation， self-healing， injectable and antibacterial properties. Dipotassium glycyrrhizinate（DG） was loaded into hydrogel， which endowed the hydrogel with anti-inflammatory properties and wound healing ability. The results showed that the drug release rate could reach 100%. Meanwhile， the cell compatibility and the ability of promoting cell migration were evaluated， the results showed that the hydrogels presented very low cytotoxicity and could promote cell migration. All the above results indicated that the GEL-E/CMC/OCS hydrogel has good mechanical properties， biocompatibility and ability to promote cell migration， and has broad application prospects in the field of promoting wound healing. Table and Figures | Reference | Supplementary Material | Related Articles | Metrics

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Research on Co3O4/UiO-66@α-Al2O3 Ceramic Membrane Separation and Catalytic Spraying Industry VOCs Waste Gas JIANG Hongbin, DAI Wenchen, ZHANG Rao, XU Xiaochen, CHEN Jie, YANG Guang, YANG Fenglin Chem. J. Chinese Universities    2022, 43 (6): 20220025-.   DOI: 10.7503/cjcu20220025 Abstract （326）   HTML （9）    PDF（pc） （7193KB）（1124）       Knowledge map    Save Co3O4/UiO-66@α-Al2O3 ceramic membranes were constructed with α-Al2O3 as the support layer， UiO-66 as the separation layer， and Co3O4 as the catalytic layer. The ceramic membrane exhibits outstanding separation performance of benzene/pyridine. The molar concentration ratio of pyridine to benzene in the gas on the permeate side can be increased from 1 to 17 on the feed side. After O3 was introduced into the system， the concentration of benzene on the feed side was significantly reduced， and its removal rate can reach 89%. The removal rate of pyridine on the permeate side was only 27%， which was retained to a large extent， and the remaining pyridine could be collected for separate advanced treatment. The Co3O4/UiO-66@α-Al2O3 ceramic membrane can effectively solve the emission problem of nitrogen oxides in the waste gas treatment process of the spraying industry， and is expected to be an ideal choice for the waste gas pretreatment process of the spraying industry. Table and Figures | Reference | Related Articles | Metrics

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First-principles Study of Direct Z-scheme In2SSe/Sb Heterostructure as Photocatalyst for Water Splitting CAO Shengzhe, HUANG Xin, YANG Zhihong Chem. J. Chinese Universities    2023, 44 (8): 20230145-.   DOI: 10.7503/cjcu20230145 Abstract （365）   HTML （11）    PDF（pc） （5725KB）（1094）       Knowledge map    Save The photocatalytic properties of two-dimensional In2SSe/Sb van der Waals heterostructure were investi-gated via first-principles method. The results show that In2SSe/Sb heterostructure possesses the staggered band alignments with a direct band gap of 0.82 eV. As the built-in electric field is pointing from Sb to In2SSe at the interface， the In2SSe/Sb heterostructure exhibits type-Z mode， which is beneficial for effective electron-holes separations. Moreover， its band edges straddle water redox potentials and a strong optical absorption spectrum from visible light to ultraviolet light is obtained. Our study would offer theoretical understanding for designing In2SSe/Sb van der Waals heterostructure. Table and Figures | Reference | Related Articles | Metrics