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    Dark-vacuole Bodies Studying by High-resolution Label-free Microscopy Assisted with Fluorescence Technology
    LIU Xiangyu, ZHANG Jinrui, XU Haijiao, SHAO Lina, WANG Hongda
    Chemical Research in Chinese Universities    2024, 40 (6): 978-986.   DOI: 10.1007/s40242-024-3271-x
    Abstract501)            Save
    The intracellular logistics system, consisting of vesicles, plays a crucial role in cellular transport. However, there is a lack of research on the types and functions of intracellular vesicles, and new technologies are needed for further investigation. Recently, researchers have discovered a new subcellular structure known as Dark-vacuole bodies. The composition, function, and potential synergy with other organelles of these Dark-vacuole bodies remain unclear. In this study, we utilized the high-resolution label-free Fourier ptychographic microscopy, developed by our research group, along with fluorescence confocal technology, to study and analyze Dark-vacuole bodies. Our findings provide evidence of the influence of Dark-vacuole bodies on the morphology, distribution, movement, and cell cycle of living cells. Specifically, we analyzed the effects of drug induced stimulation of lipid drops and endosomes, promotion of cell endocytosis, and induction of cellular senescence on Dark-vacuole bodies. Our results indicate that Dark-vacuole bodies show little correlation with lipid drops and endocytosis vesicles, but are significantly associated with late endosomes. Furthermore, cellular senescence leads to a significant increase in the number and size of Dark-vacuole bodies. This study serves as a foundation for further confirming the nature of Dark-vacuole bodies as new organelles.
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    Chemical Research in Chinese Universities Vol.40 No.6 June 2024
    Chemical Research in Chinese Universities    2024, 40 (6): 0-0.  
    Abstract457)      PDF(pc) (957KB)(46)       Save
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    Unveiling the Mechanism of Glycerol Oxidation to Lactic Acid on Pt/Sn-MFI Zeolite: an In situ Solid-state NMR Study
    SHEN Xueyuan, QI Guodong, LIANG Jiawei, WANG Ruichen, XU Jun, DENG Feng
    Chemical Research in Chinese Universities    2024, 40 (6): 935-942.   DOI: 10.1007/s40242-024-4168-4
    Abstract338)            Save
    Heterogeneous glycerol (GLY) oxidation offers a promising route for the production of lactic acid (LA), a key monomer in biodegradable bioplastics. However, the specific reaction pathways remain poorly understood. This study presents a mechanistic investigation of GLY oxidation to LA using Pt/Sn-MFI catalysts. Characterizations via DR-UV-Vis spectroscopy, 119Sn NMR, and TEM reveal the formation of zeolite framework Sn and well-dispersed Pt nanoparticles in Pt/Sn-MFI. The Lewis acidity of framework Sn in MFI zeolite is confirmed through 31P NMR probe techniques. GLY conversion and LA selectivity correlate strongly with framework Sn concentration and the presence of Pt nanoparticles. In situ 13C solid-state NMR experiments, complemented by two-dimensional 13C correlation NMR, allow real-time monitoring of GLY conversion and identification of various mobile and rigid (surface-adsorbed) species. Results indicate that GLY preferentially transforms to LA via a dihydroxyacetone (DHA) intermediate, facilitated by the Pt-Sn synergistic effect. However, accumulation of surface-adsorbed LA on Sn sites promotes consecutive oxidation of GLY to glyceric acid, tartaric acid, and ultimately CO2.
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    Prussian Blue Nanoparticles with High Oxidase-like Activity for Simultaneous Detection of Ascorbic Acid and Alkaline Phosphatase in Real Samples
    TANG Zeng, LAI Yue, LU Hao, XIA Yi, JIANG Xue, XIONG Xiaoli, XIAO Ting
    Chemical Research in Chinese Universities    2024, 40 (6): 1023-1032.   DOI: 10.1007/s40242-024-3239-x
    Abstract327)            Save
    Prussian blue nanoparticles (PB NPs) have exhibited favorable anti-inflammatory effects in animal models, and have been proved to mimic three antioxidant enzymes: peroxidase, catalase, and superoxide dismutase. Whereas the oxidase-like activity of PB NPs has not been demonstrated. In this work, PB NPs with outstanding oxidase-like activity were demonstrated by virtue of the colorimetric substrate o-phenylenediamine (OPD). Interestingly, based on the oxidase-like activity, PB NPs can also catalytically oxidize vitamin B1 (VB1) to strongly fluorescent product in the physiological environment without the addition of other oxidants. Considering that VB1 has no toxicity and carcinogenicity comparing with OPD, a novel PB NPs-VB1 fluorescent sensor was further developed for simple, nontoxic, and rapid detection of ascorbic acid (AA) in foods and alkaline phosphatase (ALP) in human serum samples by taking advantage of the reduction of PB NPs to Prussian White by AA or enzymatic hydrolysate of ALP and ascorbic acid 2-phosphate (AA2P), leading to the decrease of fluorescence intensity. The extremely low detection limits of 44 nmol/L for AA and 72 mU/L for ALP as well as the excellent applicability in real samples were both obtained. Therefore, we envision that such a novel fluorescent probe would be potentially applied in the food analysis and clinic diagnosis fields.
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    Synthesis and Utilization of MXene/MOF Hybrid Composite Materials
    JI Houqiang, LIU Yuxin, DU Guangyu, HUANG Tianyu, ZHU Ying, SUN Yangyang, PANG Huan
    Chemical Research in Chinese Universities    2024, 40 (6): 943-963.   DOI: 10.1007/s40242-024-4179-1
    Abstract316)            Save
    Metal-organic frameworks (MOFs) are crystalline porous architectures formed by the coordination of organic ligands with metal ions or clusters. MOFs are notable for their vast surface area, abundant active sites, high porosity, and tunable properties. However, their application in energy storage and catalysis is impeded by limited conductivity and chemical stability. A promising approach to mitigating these constraints is the integration of MOFs with other functional or conductive materials. MXenes, with their distinctive layered structure, exceptional electrical conductivity, and rich surface functional groups, provide numerous advantages when combined with MOFs. This review encapsulates the synthesis methodologies of MXene/MOF composites and explores their applications across various domains, including lithium-ion batteries, supercapacitors, lithium-sulfur batteries, zinc-ion batteries, electrocatalysts, and photocatalysts.
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    Multifunctional Liquid Metal Active Material for Wound Repair and Motion Monitoring via Free Radical Polymerization Assembly
    WEI Zheng, WAN Sikang, JIA Bo, CHENG Wenhao, LI Ming, CHEN Jing, LIU Yawei, ZHANG Hongjie, LIU Kai, WANG Fan
    Chemical Research in Chinese Universities    2024, 40 (6): 1011-1022.   DOI: 10.1007/s40242-024-4195-1
    Abstract311)            Save
    Bacterial infections and excessive oxidative stress seriously hinder the healing of skin wounds. Traditional wound dressings can only serve as physical barriers and lack active molecules essential for actively promoting wound healing. Herein, an antibacterial and antioxidant liquid metal inorganic active material is developed for wound repair through in situ polymerization of chitosan/acrylic acid precursor solution initiated by tannic acid-coated liquid metal nanoparticles, without extra initiators and ultraviolet (UV) light. The tannic acid component enables the inorganic active material to exhibit antioxidant property, which can remove 90% of free radicals and relieve cellular oxidative stress. The chitosan component endows the inorganic active material with antibacterial property, effectively inhibiting the growth of Staphylococcus aureus and Escherichia coli (killing ratio: 90%). In vivo experiment demonstrates that this inorganic active material can promote the healing of Staphylococcus aureus-infected wound, achieving a closure rate of 98.16% on the 9th day. Meanwhile, this inorganic active material exhibits good electrical conductivity, enabling timely and stable monitoring of human joint movements. This work offers a simple strategy for developing multifunctional inorganic active material, which holds great potential for wound repair and motion monitoring.
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    Rh-loaded High-entropy Oxide for Efficiently Catalyzing the Reverse Water-Gas Shift Reaction
    WANG Ke, ZHANG Rui, WANG Huilin, ZHANG Lingling, WANG Zijian, WANG Xiao, SONG Shuyan, ZHANG Hongjie
    Chemical Research in Chinese Universities    2024, 40 (6): 970-977.   DOI: 10.1007/s40242-024-4079-4
    Abstract310)            Save
    Establishing efficient CO2 hydrogenation technology based on the reverse water-gas shift (RWGS) reaction can effectively alleviate environmental problems while providing high-value-added products. The development of suitable advanced supports is the key to improving the catalytic activity and selectivity. Herein, we designed and synthesized a new type of spinel-phase high entropy oxides [(FeCrMnAlGa)3O4-x, FMG], which exhibited remarkable RWGS performance after loading small-size Rh nanoparticles. The CO yield was as high as 145.5 μmolCO·gcat-1·s-1 at 380 ℃ and the CO selectivity was nearly 100%. Moreover, the catalyst retained over 95% of the initial activity after 25 h of continuous catalyzing. Experimental and structural studies reveal that the FMG support has elemental synergy and high-entropy stability, which affect the Rh dispersion and oxygen vacancy generation, in turn achieving superior catalytic performance.
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    ZIF-8/MS Hybrid Sponge via Secondary Growth for Efficient Removal of Pb(II) and Cu(II)
    BIAN Hang, LI Peng, MA Yu, LIU Lin, LI Dong, ZHANG Ning
    Chemical Research in Chinese Universities    2024, 40 (6): 1088-1095.   DOI: 10.1007/s40242-024-4009-5
    Abstract304)            Save
    In recent years, the surge in industrialization and urbanization has led to the release of a significant amount of heavy metal ions into water. These ions, when present in drinking water, can enter the human body and cause irreversible health problem. Metal-organic frameworks (MOFs) have drawn considerable attention for their outstanding ability to remove these heavy metal ions. However, MOF powders tend to aggregate in water, reducing their adsorption efficiency and potentially leading to secondary environmental pollution. In this regard, the development of MOF composites that are highly adsorptive, recyclable, and maintain stable dispensability in water is crucial for heavy metal ions removal. Herein, the in situ growth of zeolitic imidazolate framework (ZIF-8) on melamine sponge (MS) using a secondary growth method is reported. The resultant composite sponges exhibit high efficiency in adsorbing Pb(II) and Cu(II) from water and maintain good reusability. These findings offer a promising method in efficiently eliminating Pb(II) and Cu(II) from aqueous solutions.
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    Design and Synthesis of Bismuth-based Metal-Organic Frameworks for Photothermal Energy Conversion
    WANG Rui, WANG Ziyu, YIN Qi, LIU Haixiong, LIU Tianfu, CAO Rong
    Chemical Research in Chinese Universities    2024, 40 (6): 964-969.   DOI: 10.1007/s40242-024-4037-1
    Abstract301)            Save
    Template effect of the solvents plays a key role in metal-organic frameworks (MOFs) synthesis. In addition, Bi3+ has a flexible and changeable coordination configuration, which is conducive to the construction of structurally diverse MOFs. Herein, we demonstrate that these features can be integrated into two stable bismuth-based porphyrin MOFs (named PFC-100 and PFC-101) with a wide range of light absorption. Further studies demonstrate that PFC-101 with weaker interactions of adjacent porphyrin planes achieves 22.2% photothermal conversion efficiency (PTCE), 1.5-fold higher than that of PFC-100 (14.3%) under 660 nm irradiation. This study may shed light on the impact of solvent templates on the synthesis of bismuth-based MOFs, not only enriching the MOFs library but also broadening the horizon of their potential applications.
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    Highly Sensitive Ethanol Gas Sensor Based on Ag Nanoparticles Decorated In2O3
    ZHANG Susu, ZHANG Meng, GUO Ying
    Chemical Research in Chinese Universities    2024, 40 (6): 1033-1040.   DOI: 10.1007/s40242-024-3244-0
    Abstract297)            Save
    Ag nanoparticle decorated In2O3 composites for high sensitivity and high selectivity detection of ethanol were prepared by hydrothermal and annealing methods. The effects of Ag content on the sensing properties of Ag decorated In2O3 sensors were also investigated. It was found that all Ag decorated In2O3 sensors exhibited better sensing performance in terms of sensitivity and selectivity compared to pure In2O3 sensors. By optimizing the addition amount of Ag, the 7%-Ag/In2O3 sensor showed the highest response to ethanol (35.6 vs. 100 ppm, ppm=parts per million), which was about seven times higher than that of the pure In2O3 sensor at 270 ℃. The improved performance of the Ag-In2O3 composite sensor can be attributed to the catalytic effect of silver and the Schottky barrier formed at the Ag-In2O3 interface.
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    Potassium Promoted Ferrocene/Graphene for Ammonia Synthesis
    CHEN Ziquan, YE Yihan, PAN Xiulian, BAO Xinhe
    Chemical Research in Chinese Universities    2024, 40 (6): 1004-1010.   DOI: 10.1007/s40242-024-4019-3
    Abstract295)            Save
    Innovation of catalysts for mild condition ammonia synthesis promotes the carbon neutrality. Herein we report that ferrocene supported on reduced graphene oxide (rGO) and promoted by alkali metal K is active catalyzing NH3 synthesis from N2/H2 mixture. It exhibits a NH3 formation rate of 0.1 μmolNH3·gc-1·h-1 at 190 ℃ and increases by one order of magnitude to 2.1 μmolNH3·gc-1·h-1 at 230 ℃ and under 0.1 MPa. By contrast, both rGO promoted by K and ferrocene supported on rGO without K promotion are almost inactive under the same conditions. Density functional theory calculations validate the essential role of K promoter for facilitating the adsorption of N2 at the coordination unsaturated iron sites in the cyclopentadienylidene form. This finding could guide further development of metal complex catalysts for mild condition ammonia synthesis.
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    Label-free Super-resolution Microscopy for Long-term Monitoring the Dynamic Interactions of Cellular Organelles
    SHAO Lina, SUN Minglu, ZHANG Jinrui, XU Haijiao, YANG Hui, LI Hongru, WANG Huili, CUI Zongqiang, LI Dayu, WANG Hongda
    Chemical Research in Chinese Universities    2024, 40 (6): 994-1003.   DOI: 10.1007/s40242-024-4006-8
    Abstract293)            Save
    The ideal method for imaging living cells is one that allows for long-term, label-free observation in real-time with super-resolution capabilities. Such a method would overcome the drawbacks of phototoxicity and photobleaching associated with fluorescence labeling microscopy. Fourier ptychography is a promising label-free imaging technique that surpasses the diffraction limit of conventional microscopy while avoiding issues related to fluorescent labeling. However, previous Fourier ptychography microscopy (FPM) systems lacked high spatiotemporal resolution, preventing real-time observation of subcellular organelle structures in living cells. To address this limitation, we have developed a high-speed super-resolution microscope based hemispherical digital illumination (HDI) device. This system utilizes 61 light-emitting diodes (LEDs) to provide high-angle illumination with a numerical aperture (NA) of 0.98. By employing a 40×/0.6 NA objective lens, we have achieved lateral resolutions of around 150 nm, enabling us to capture images at a speed of over 1 Hz with the field of view measuring 118×118 μm2. HDI-FPM allows for the monitoring of various cellular processes, such as vesicular transportation, mitochondrial fusion and division, as well as cell-cell fusion over a duration of 4 h. The development of HDI-FPM represents a significant advancement in label-free imaging of living cells. It offers a comprehensive understanding of the mechanisms underlying cellular activities.
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    Nano-crystallites Imine-based Copper(II) Complexes as Mimetics for Copper Oxidase Proteins: Synthesis, Characterization, DFT and Oxidase Mimicking Activity
    ALHADHRAMI Abdulrahman, RAMADAN Abd El-Motaleb, FATHY Ahmed
    Chemical Research in Chinese Universities    2024, 40 (6): 1068-1081.   DOI: 10.1007/s40242-024-3273-8
    Abstract292)            Save
    Three tridentate imine ligands containing N2S donors were synthesized via Schiff condensation between derivatives of both amino triazine and 2-carbonyl pyridine. The reaction of these ligands with CuCl2 in a molar ratio of 1:1 provides three Cu(II) complexes with the general formula [CuLn·Cl2]. Analytical, electrical, magnetic, and spectroscopic studies were used to assign the molecular formulae of these metallic chelates. Density function theory (DFT) calculations confirmed the structural analysis results obtained from spectroscopic studies. The various characterization techniques used demonstrated the penta-coordinated slightly distorted square pyramidal structure for the present Cu(II) complexes 1, 2, and 3. Measurements of cyclic voltammetry were done in methanol to define the electrochemical behavior of the current Cu(II) complexes. The biomimetics of catechol oxidase (C.O.) and phenoxazinone synthase (PHS) have been studied in the aerobic oxidation of some phenolic substrates, such as 3,5-di-tert-butylcatechol (3,5-DTBCH2) and ortho-aminophenol (o-APH3). The three candidate oxidase mimetics showed promising activity in the order 3 > 1 > 2. The catalytic activity related to the structural properties of existing oxidase mimetics was discussed. The driving force (-ΔG°) controlling the redox reactions of the present biomolecules was calculated from the redox data of Cu(II) complexes 1, 2, and 3. The potential catalytic reaction pathway for the oxidation of the studied phenolic substrates was discussed.
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    Understanding Fatigue Failure in Binary Rubber Blends: Role of Crack Initiation and Propagation
    PAN Lijia, WANG Yuge, WEI Lai, SUN Zhaoyan
    Chemical Research in Chinese Universities    2024, 40 (6): 987-993.   DOI: 10.1007/s40242-024-4001-0
    Abstract292)            Save
    Under cyclic loading conditions, the breakdown of rubber products is mainly caused by the formation and spread of cracks. This study focuses on understanding how cracks initiate and grow during the fatigue failure of blended rubber. We prepared composite materials by blending bio-mimetic rubber (BMR) and butadiene rubber (BR) in different mass ratios and evaluated their resistance to crack initiation and propagation. Our results indicate a clear trend: as the BR content increases, crack initiation in blended rubber is inhibited, while crack propagation is enhanced. This shift leads to a change in the primary factor influencing fatigue fracture from crack initiation to crack propagation. Additionally, we observed that the fatigue life of the rubber blend initially increases and then decreases as the BMR content rises, indicating a critical threshold when the mass ratio of BMR to BR is comparable. By closely examining the materials using a scanning electron microscope (SEM) and image analysis, we confirmed that before the threshold, crack initiation is the dominant factor in fatigue failure, while after the threshold, crack propagation takes over. This study provides valuable insights into the mechanisms behind fatigue failure in rubber blends, contributing to a better understanding of this important material behavior.
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    Metal Acetylacetonates as Robust Catalysts for the Synthesis of Oxazolidinone from CO2 and Aziridine Under Atmospheric Pressure
    LI Bohan, GONG Yujie, LOU Huimin, WEI Yujuan, GUO Liping, WANG Hongmei, ZHANG Zulei, LI Lei
    Chemical Research in Chinese Universities    2024, 40 (6): 1041-1049.   DOI: 10.1007/s40242-024-3253-z
    Abstract290)            Save
    Metal acetylacetonates, a type of readily synthesized or commercially available metal complex, were demonstrated to be robust catalysts for the synthesis of oxazolidinone from CO2 and aziridine under condition of atmospheric pressure and mild temperature, exhibiting high chemo- and regio-selectivity. Tetrabutylammonium halides were employed as cocatalysts in the reaction, and it was believed that the reaction activity was influenced by a balance of anions’ two abilities, namely their nucleophilicity in ring-opening of aziridines and their leaving capacity in ring-closing of intermediate carbamate salts to form oxazolidinones. Notably, higher nucleophilicity of these anions resulted in increased formation of dimers, which served as by-products of the reaction. The study of mechanism suggested that there should be an alternative pathway involving CO2 derivative acting as a nucleophile during the ring-opening process, and this pathway could not be ignored when conventional nucleophiles, such as tetrabutylammonium halides are absent.
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    A Concise, Practical Chiral Resolution Approach of Racemic (E)-4,4-Dimethyl-1-(4-nitrophenyl) pent-1-en-3-ol to Its both Enantiomers via Strategy of Diastereomeric Ester Formation and Crystallization Using both N-Boc-D- and N-Boc-L-phenylglycines as Chiral Auxiliaries
    JIANG Shanshan, YUAN Jia, QIN Yanlan, LUO Ying, JIN Zhengsheng, ZHAO Guilong, TI Huihui
    Chemical Research in Chinese Universities    2024, 40 (6): 1096-1105.   DOI: 10.1007/s40242-024-4011-y
    Abstract284)            Save
    Chiral secondary alcohols are an important class of functionalities commonly seen in drugs and other bioactive compounds. In an ongoing drug discovery program in our laboratories, a nitro-bearing racemic allylic secondary alcohol (±)-1 was discovered as a promising drug candidate, and in the following preclinical studies, a concise, reliable, practical synthetic approach to its both enantiomers with high optical purities was greatly needed. In the present study, we developed a chiral resolution approach of (±)-1 to its both enantiomers, i. e., (+)-1 and (-)-1, via the strategy of diastereomeric ester formation and crystallization using both N-Boc-D- and N-Boc-L-phenylglycines as chiral auxiliaries. The absolute configurations of all the four key intermediates were unambiguously determined by single-crystal X-ray diffraction, providing a solid foundation for the stereochemistry of the present study. The two enantiomers were obtained in high optical purities. This approach is characterized by scalability and practicality and is envisaged to enable the chiral resolution of other racemic secondary alcohols, especially those with labile groups, such as NO2 and olefinic C=C bond.
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    Reproductive Toxicities of Tetradecyltrimethylammonium Chloride and Tetradecyltrimethylammonium Bromide on Caenorhabditis elegans over Four Consecutive Generations
    ZHANG Jing, DING Ruoqi, YU Zhenyang
    Chemical Research in Chinese Universities    2024, 40 (6): 1060-1067.   DOI: 10.1007/s40242-024-3266-7
    Abstract284)            Save
    Quaternary ammonium compounds (QACs) become emerging pollutants and their toxicities earn increasing attention. So far, their reproductive toxicities were poorly investigated, and their effects over generations were even less explored. In the present study, reproductive toxicities of two QACs, i.e., tetradecyltrimethylammonium chloride (TTAC) and tetradecyltrimethylammonium bromide (TTAB) were studied on Caenorhabditis elegans with a consecutive exposure over four generations (from F1 to F4). The effects of TTAC on total and initial reproduction showed stimulation and inhibition, which oscillated from F1 to F4. The effects of TTAB on the total reproduction commonly showed stimulation over generations with the greatest stimulation in F2, and it inhibited the initial reproduction but stimulated the reproduction duration. Further exploration demonstrated that TTAC and TTAB significantly disturbed the levels of spermatocyte protein 8 (SPE8), sperm transmembrane protein 9 (SPE9), vitellogenin (Vg), major sperm protein (MSP) and ephrin receptor protein tyrosine kinase (VAB-1) and the expressions of vab-1, ceh-18, set-2, met-2 and mes-4. Such disturbances demonstrated that both QACs impacted the reproductive processes via oocyte meiosis, gonadal support and germline development. Notably, the effects of TTAC and TTAB in parents were connected with those in the offspring, which highlighted the roles of reproduction in connecting generations. In addition, different effects between TTAC and TTAB demonstrated the anionic influences on the QACs’ toxicities.
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    CNTs-promoted Co-Cu Catalyst for Efficient Synthesis of Cinnamyl Alcohol from Hydrogenation of Cinnamaldehyde
    DONG Xin, LIU Cheng, ZHOU Zhaohui
    Chemical Research in Chinese Universities    2024, 40 (6): 1082-1087.   DOI: 10.1007/s40242-024-4007-7
    Abstract276)            Save
    With types of in-house-synthesized multi-walled carbon nanotubes (CNTs), highly active CNT-promoted Co-Cu catalysts, symbolized as CoiCuj-x%CNTs (mass fraction) were prepared by the co-precipitation method from nitrate salts of the corresponding metallic components. Their catalytic performances for the cinnamyl alcohol synthesis from the hydrogenation of cinnamaldehyde were studied and compared with the corresponding CNT-free coprecipitated catalyst of CoiCuj mixed oxide. It was shown that the appropriate incorporation of a minor amount of the CNTs into CoiCuj oxide could significantly increase the catalytic activity for cinnamyl alcohol synthesis. Under the pressure of 5.0 MPa, the highest yield of cinnamyl alcohol reaches 94.4% with selectivity of 98.7% for the catalyst Co2-Cu1-10.0%CNTs. The addition of an appropriate amount of CNT can promote the highly dispersed catalyst and promote the recovery of the catalyst. The results show that carbon nanotube is an excellent accelerator, and its properties for unique hydrogen absorption play important roles in promoting the synthesis of cinnamyl alcohol.
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    Study on Antibacterial and Biocompatibility of Thermally Crosslinked Polyvinylpyrrolidone Nanofiber Iodine Complexes
    XU Dejun, HE Liu, ZENG Fudong, LIU Bo, MA Jinli, HAN Dongmei, YANG Qingbiao, DU Jianshi
    Chemical Research in Chinese Universities    2024, 40 (6): 1050-1059.   DOI: 10.1007/s40242-024-3262-y
    Abstract267)            Save
    Polyvinylpyrrolidone-iodine (PVP-I) complexes are widely used in the medical and health field due to its strong antimicrobial properties and good biocompatibility, but their water solubility negates the possibility to be used as a wound dressing. In this work, the problem of PVP dissolving in water was solved by the method of thermally crosslinking, and it was found that the thermally crosslinked PVP nanofiber heated at 170 ℃ for 6 h had good liquid absorption capacity, stability and good fiber morphology. In addition, the thermally crosslinked PVP nanofiber is complexed with I2 to endow it with excellent antibacterial properties. It has been demonstrated to have good biocompatibility through cytotoxicity and hemolysis experiments, which provides the possibility for it to be a dressing for the treatment of infectious wounds.
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    Molecular Mechanism of Action of GPR91 Agonists and Antagonists: Insights from Molecular Dynamics Simulation
    ZHANG Junjie, LV Lunan, ZHU Haoran, ZHANG Ying, XU Xiaodi, LONG Lanxin, FU Wei
    Chemical Research in Chinese Universities    2024, 40 (6): 1201-1211.   DOI: 10.1007/s40242-024-4075-8
    Abstract267)            Save
    G protein-coupled receptor 91 (GPR91) has garnered widespread attention as a prospective therapeutic target for metabolic diseases. However, no structural data for human GPR91 (hGPR91) and detailed molecular mechanism of action (MOA) of GPR91 have been reported, with reported compounds targeting GPR91 limited. In this study, hGPR91 structures were constructed through homology modeling. High-affinity agonist compound 31 and antagonist NF-58-EJ40 were selected for investigation. By molecular dynamics (MD) simulations, we have elucidated MOA of GPR91 agonists and antagonists for the first time. We identified the crucial role of the D174FASSG sequence, the L652.46SVSD2.50 sequence and the N642.45-W1474.50 in maintaining GPR91’s inactive state conformation. Agonist binding disrupted constraints mediated by the aforementioned sequence, which led to significant outward movements of transmembrane helixes (TMs) and repositioning of intracellular loop2 (ICL2) and ICL3, thereby forming an expanded cavity for G proteins binding. Furthermore, the pivotal role of the dicarboxylic acid structure of agonists in initiating signal transduction was confirmed. In contrast, antagonist binding stabilized these conformational constraints, resulting in relatively minor movements of TMs that were insufficient to generate a binding cavity large enough to accommodate the G protein. Clarifying MOA of GPR91 agonists and antagonists is crucial for guiding the design of relevant drugs.
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