Table of Content

10 July 2026, Volume 47 Issue 7

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Content

Cover and Content of Chemical Journal of Chinese Universities Vol.47 No.7(2026)

2026, 47(7):  1-6. 

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Review

Research Advances in Modification Strategies and Mechanisms for the Metallic Zinc Anode in Aqueous Zinc-ion Batteries

LIANG Yukai, ZHUANG Yi, CHANG Ai, MA Yirui, LI Yuxuan, ZHU Boyuan, TANG Jiahao, ZHANG Wenyao, ZHU Junwu

2026, 47(7):  20260032.  doi:10.7503/cjcu20260032

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Aqueous zinc-ion batteries utilize environmentally friendly and inherently safe water-based electrolytes， aligning with the demands of large-scale sustainable energy storage， and have garnered widespread attention in recent years. However， their commercialization still faces multiple critical challenges. Among them， the zinc metal anode is prone to a series of side reactions during charge and discharge processes， such as dendrite growth， hydrogen evolution reaction， and corrosion， which severely restrict the battery’s cycling life and Coulombic efficiency. To address these issues， researchers worldwide have proposed various modification strategies focused on optimizing the performance of zinc anodes， primarily in three aspects： structural design， interface modification， and electrolyte regulation. This review systematically summarizes recent advances in zinc anodes. In terms of structural design， it highlights the mechanisms of three-dimensional structured electrodes， alloy electrodes， and epitaxially grown zinc anodes in enhancing specific surface area and nucleation sites. Regarding interface modification， the regulatory mechanisms of functional materials such as carbon-based materials， metal-organic frameworks， and organic polymers on zinc deposition/stripping behavior are discussed. As for electrolyte modification， the critical role of zinc salt structural optimization， electrolyte additive development， and novel electrolyte design in improving the solvation structure and transport behavior of zinc ions is analyzed. Furthermore， by integrating mechanisms such as electrostatic shielding， adsorption effects， desolvation effects， in-situ interface films， and crystal plane regulation， this review systematically outlines the main strategies for optimizing the performance of zinc metal anodes in aqueous zinc-ion batteries. Finally， this discussion is further extended to the dimension of functional separator modification， with an emphasis on the indirect regulatory effects of functional separators on zinc deposition behavior through mechanisms such as homogenizing ion flux， constructing ion-sieving channels， and modulating the interfacial chemical environment. Finally， an outlook for future research directions toward high-performance aqueous zinc-ion batteries is provided.



Articles: Inorganic Chemistry

Preparation of Ligand-functionalized MIL-101（Fe） MOFs and Their Photocatalytic Performance for CO₂ Reduction

LI Xin, LV Ze, ZHONG Yi, XU Hong, MAO Zhiping, ZHANG Linping

2026, 47(7):  20260039.  doi:10.7503/cjcu20260039

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Solar-driven photocatalytic reduction of CO₂ into high-value-added chemicals（e.g.， formic acid， methanol） represents a cutting-edge strategy for mitigating the greenhouse effect and achieving carbon resource recycling. A series of ligand-functionalized X-MIL-101（Fe） MOFs catalytic materials was prepared by introducing functional groups such as —NH₂， —OCH₃， —Br and —NO₂ by one-pot solvothermal method. The morphology， structure and optoelectronic properties of the catalysts were characterized by X-ray diffractometer（XRD）， element analyzer（EA）， scanning electron microscope（FE-SEM）， ultraviolet-visible absorption spectroscopy（UV-Vis）， photocurrent response spectroscopy（I-t）， electrochemical impedance spectroscopy（EIS） and fluorescence emission spectroscopy（PL）. The study demonstrates that the electronic properties of functional groups significantly modulate the light absorption， band structure， and charge carrier behavior of material： electron-donating groups（—NH₂， —OCH₃） enhance light response and promote charge separation； electron-withdrawing groups（—Br， —NO₂） suppress light absorption and electron transfer. The —NH₂ group exhibits a stronger electron-donating ability than the —OCH₃ group bonded to the benzene ring. Consequently， under simulated sunlight， amino-modified NH₂-MIL-101（Fe） demonstrated optimal photocatalytic performance for CO₂ reduction， exhibiting the strongest photocurrent response and highest charge separation efficiency. In pure water， its formic acid production rate reached 28.13 µmol·g^-1·h^-1， which further increased to 42.61 µmol·g^-1·h^-1 with the addition of a sacrificial agent， representing a 3.45-fold improvement over unmodified MIL-101（Fe）. The material also demonstrated excellent reusability， maintaining 93.92% of its activity after four cycles. This study provides theoretical foundations and experimental references for designing highly efficient and stable MOF-based CO₂ photoreduction catalysts from the perspectives of the ligand structure.



Synthesis and Characterization of Y-MOF Constructed from Azobenzene Derivatives and Its Fluorescence Detection Performance for Nitro Compounds

SHI Kai, LIU Zijian, ZHANG Xiao, ZHAO Liyan, YAO Tongjie

2026, 47(7):  20250365.  doi:10.7503/cjcu20250365

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Using 8-hydroxyquinoline and 5-aminoisophthalic acid as raw materials， an azobenzene derivative， （E）-5-［（8-hydroxyquinolin-5-yl）diazenyl］isophthalic acid（H₃L）， was synthesized through an azo reaction. A metal-organic framework（MOF）， ｛［Y（L）（H₂O）₂］·2.25H₂O｝ _n， was prepared by coordinating H₃L with the rare earth ion Y³⁺via a solvothermal synthesis method. The MOF was characterized using single-crystal X-ray diffraction analysis， thermogravimetric analysis， infrared spectroscopy， and powder X-ray diffraction analysis. Single-crystal X-ray diffraction analysis revealed that the MOF possesses a three-dimensional network structure with one-dimensional channels. Powder X-ray diffraction analysis demonstrated that the MOF exhibits excellent stability in various organic solvents and aqueous solutions with pH values ranging from 2 to 12. This MOF can serve as an excellent fluorescent sensor for accurately detecting various nitro compounds through fluorescence quenching. Experimental and theoretical calculations indicate that the luminescence quenching can be attributed to electron and resonance energy transfer between the MOF and the analytes. This study contributes to advancing research on MOF materials for their applications as fluorescent sensors.



Flexible TiO₂-TiSe₂/Carbon Nanofiber Membrane Towards Enhancing the Rate Performance of Li/S Batteries

DANG Yuxin, QIN Xiaoxi, ZHANG Peng, MA Tianshu, XUE Jiayi, WANG Chao, WU Tong, ZHANG Yingying, ZHUANG Quan, LIU Jinghai

2026, 47(7):  20250340.  doi:10.7503/cjcu20250340

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Lithium-sulfur batteries have attracted much attention due to their advantages such as high theoretical energy density and abundant cathode active material resources. Howfever， the severe lithium polysulfide shuttle effect and slow electrochemical conversion kinetics have seriously hindered the development of high energy density and high multiplicity performance lithium-sulfur batteries. To solve the above problems， a flexible conductive TiO₂-TiSe₂/carbon nanofibre membrane（TiO₂-TiSe₂/CNF） was prepared and placed between the anode side and the diaphragm of lithium-sulfur batteries as a membrane reactor to regulate the lithium-sulfur conversion. The results showed that the strong adsorption of lithium polysulfide on the TiO₂-TiSe₂ active sites effectively suppressed the shuttle effect， and the carbon nanofibre network accelerated the transport of ions and electrons to enhance the reaction kinetics. The TiO₂-TiSe₂/CNF membrane reactor modulated lithium-sulfur battery had an initial discharge specific capacity of 1305.7 mA∙h/g at 0.1C， 684.7 mA∙h/g at 5C multiplicity， and the discharge specific capacity was maintained at 795.4 mA∙h/g after 200 cycles at 1C.



Analytical Chemistry

Machine-learning-driven Multidimensional Identification of Traditional Chinese Medicine Ginkgo Folium Using SERS

MA Qilin, WU Ye, TANG Danyang, YANG Maosheng, XU Guofu, YANG Fan, SHI Jia, YAO Jianquan

2026, 47(7):  20260047.  doi:10.7503/cjcu20260047

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This study establishes a multidimensional discrimination strategy for ginkgo folium based on surface- enhanced Raman spectroscopy（SERS） combined with machine learning. A systematic investigation was conducted across four dimensions（geographical origin， drying process， storage quality， and pesticide residues）， enabling intelligent classification and quality assessment of ginkgo folium. The results showed that the SERS spectra of ginkgo folium extracts exhibited characteristic peaks of flavonoids（quercetin， kaempferol， isorhamnetin） and ginkgolides. Based on SERS combined with partial least squares discriminant analysis（PLS-DA）， 100% classification accuracy was achieved for ginkgo folium samples from five origins and processed by four drying methods， indicating that both origin differences and drying processes significantly affect their chemical composition. Furthermore， SERS combined with partial least squares regression（PLS） accurately predicted storage time（training set， R²=0.991； cross-validation set， R²=0.841） and enabled highly sensitive quantitative detection of pesticide residues， including glyphosate and thiram. In summary， SERS combined with machine learning provides a rapid， highly sensitive， and reliable analytical strategy for origin tracing， process monitoring， storage evaluation， and pesticide residue detection of ginkgo folium and other traditional Chinese medicinal materials. This approach opens a novel technical pathway for quality control and safety supervision in traditional Chinese medicines field.



Multi-dimensional Analysis of the Spatiotemporal Migration and Distribution of Imazalil in Crops Based on GC-MS and MALDI-MSI

LI Xiaoping, ZHAO Yifan, QIU Yayu, HUANG Qiong, HE Qiaohong

2026, 47(7):  20250353.  doi:10.7503/cjcu20250353

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A multidimensional analytical method based on high-resolution gas chromatography-mass spectrometry （GC-MS） combined with matrix-assisted laser desorption ionization mass spectrometry imaging（MALDI-MSI） was established for the systematic analysis of the spatiotemporal migration and distribution characteristics of the triazole fungicide Imazalil within root tuber crops. Using cherry radish as the model crop， a quantitative analysis was first performed through fine layer-by-layer sectioning（ca. 1.5 mm per layer）， combined with the QuECHERS pretreatment technique and a matrix-matched external standard method. The results revealed significant differences in the depth distribution of Imazalil in radishes depending on the exposure time： after exposure of 2 h， a high concentration （ca. 30.6 mg/kg） was detected in the surface layer， decreasing rapidly inward. As the exposure time extended to 5， 10 and 24 h， Imazalil gradually penetrated into deeper tissues， with the inner layer concentration increasing significantly and the overall concentration gradient becoming more gradual， demonstrating a dynamic migration characterized by"epidermal adsorption； layer-by-layer penetration". Furthermore， MALDI-MSI was utilized for high spatial resolution imaging analysis of radish cross-sections， visually presenting the two-dimensional distribution characteristics of Imazalil within the tissue structure. The imaging results showed the strongest signals in the epidermis and cortex regions， gradually weakening inward， reflecting the slow diffusion and accumulation process of Imazalil in tissues. The spatial distribution trend obtained from MALDI imaging was highly consistent with the quantitative results from GC-MS. Together， these two approaches validated the migration mechanism of Imazalil in radish from both quantitative and spatial dimensions， characterized by "from surface to inside， decreasing layer by layer， and gradually penetrating." This study achieved the dynamic visualization and in-depth quantitative analysis of the spatiotemporal distribution of pesticides in root crops， providing a new technical approach and experimental basis for revealing pesticide migration behavior in plants， and offering scientific support for agricultural product safety assessment and pesticide residue risk control.



Synthesis and Application of Fluorescent Probe for Detection of Glyphosate Based on Zinc Ion

XIONG Xin, LIU Funan, PIAN Tongyan, FAN Wenzhe, ZHANG Ziyi, LI Mingjian, LIU Jiayu, CAO Xiaoqin, SHU Penghua

2026, 47(7):  20250380.  doi:10.7503/cjcu20250380

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A novel benzothiazole-based fluorescent probe（DHB） was designed and synthesized， and its structure was characterized using means of nuclear magnetic resonance（NMR）， Fourier transform infrared spectroscopy（FTIR）， mass spectrometry（MS） and high-resolution mass spectrometry（HRMS）. The research results indicate that probe DHB forms a 1∶1 complex with Zn²⁺， exhibiting strong fluorescence emission and achieving specific recognition of Zn²⁺ without interference from other coexisting metal ions and anions. The detection limit was 4.01×10^-8 mol/L. When glyphosate was further added to the complex DHB-Zn²⁺， the system exhibited a significant fluorescence quenching effect with a response time of 18 s， and was not affected by other organophosphorus pesticides and common anions. The detection limit was as low as 3.81×10^-8 mol/L. Meanwhile， the reaction mechanism of probe DHB continuously recognizing Zn²⁺ and glyphosate was revealed by FTIR and HRMS. That is， the C=O in the structure of probe DHB underwent enol tautomerism， and the enol hydroxyl formed thereby， along with the O—H and the nitrogen heteroatom of C=N in the probe structure， jointly participated in the coordination with Zn²⁺. The synergistic coordination of amino， carboxyl and phosphate groups in the glyphosate molecule enabled it to form a stronger complex with Zn²⁺， resulting in the displacement of Zn²⁺ from the complex DHB-Zn²⁺. Furthermore， probe DHB and the complex DHB-Zn²⁺ can be applied to the analysis and detection of Zn²⁺ and glyphosate in the environment， which has a certain practical value.



Vacuum Ultraviolet Photoionization Mass Spectrometry Study on the Formation of Nitrophenols Generated by Photooxidation of Benzene

QIAN Zichao, HUANG Mingqiang, SHAN Xianbin, SHENG Liusi, HU Changjin, GU Xuejun, ZHAO Weixiong, Zhang Weijun

2026, 47(7):  20250348.  doi:10.7503/cjcu20250348

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Nitrophenols（NPs） are a common type of nitrogen-containing organic components in atmospheric aerosols. Aromatic compounds such as benzene and toluene from vehicle exhaust and other anthropogenic sources can undergo atmospheric chemical reactions and secondary formation of NPs. The atmospheric chemical process for photooxidation of benzene in the presence of sodium nitrate（NaNO₃） fine particles to form secondary organic aerosol（SOA） was simulated with a smog chamber in this study. The on-line measurement of chemical components of benzene SOA was studied by using a synchrotron radiation vacuum ultraviolet photoionization aerosol mass spectrometer（VUV-PIAMS）. Based on the photoionization mass spectra and the photoionization efficiency curves of ion peaks detected by VUV-PIAMS， the ionization potentials were obtained for qualitative analysis of the chemical components. The experimental results demonstrated that in the presence of NaNO₃ fine particles， the mass of SOA produced by benzene photooxidation significantly increased. The photoionization mass spectra of SOA showed new peaks with m/z 139， 155， 171， 184 and 200， and the ionization potentials of these peaks were （8.81±0.03）， （9.36±0.03）， （8.68±0.03）， （8.75±0.03）， （9.55±0.03） and （9.17±0.03） eV， respectively. Combining quantum chemical calculations， it was analyzed and identified that NPs such as nitrophenol， nitrocatechol， nitropyrogallol， dinitrophenol and dinitrocatechol were the main components of benzene SOA in the presence of NaNO₃ fine particles. These provide the experimental basis for source identification and formation mechanism study of NPs components in atmospheric SOA particles under the background of the presence of NaNO₃ fine particles.



Organic Chemistry

Synthesis and Fungicidal Activity of Pyramoxadone Analogues

BAI Hui, LIU Yanfei, FU Bin, XIAO Yumei, QIN Zhaohai

2026, 47(7):  20260128.  doi:10.7503/cjcu20260128

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A series of novel oxazolidinedione derivatives（2⁃2—2⁃30） was designed and synthesized based on the structure of pyramoxadone， a 5-position pyridine analogue of famoxadone. The target compounds were characterized by means of ¹H NMR， ¹³C NMR and high-resolution mass spectrometry（HRMS）. Their in vitro antifungal activities were evaluated against nine plant pathogenic fungi using the mycelial growth rate method， with famoxadone as a positive control. Preliminary screening at 50 mg/L revealed that most compounds exhibited moderate to excellent inhibitory activity， particularly against Rhizoctonia solani， Sclerotinia sclerotiorum， Botrytis cinerea， and Pyricularia grisea. Structure-activity relationship（SAR） analysis indicated that bulky groups such as tert-butyl and cyclohexyl are detrimental to the enhancement of antifungal activity， while fluorine-containing compounds generally exhibited enhanced antifungal activity. Compounds 2⁃16（EC₅₀=3.78 mg/L） and 2⁃26（EC₅₀=1.61 mg/L） exhibited superior activity against R. solani compared to famoxadone（EC₅₀=4.38 mg/L） and pyramoxadone（EC₅₀=9.67 mg/L）. In vivo protective efficacy assays demonstrated that compounds 2⁃13， 2⁃16 and 2⁃18 provided 88.3%， 89.5% and 81.7% control against cotton damping-off at 200 mg/L， respectively， significantly outperforming the positive control. Molecular docking and electrostatic surface map analysis revealed that the SAR of this class of compounds follows a pattern where the hydrophobic skeleton determines the binding orientation， electrostatic complementarity determines the binding strength， and substituent fine-tuning determines the activity level.



Synthesis and Anti-lung Cancer Activity of 3-（1H-indol-4-yl）-1-（pyrimidin-2-yl）prop-2-en-1-one-spirooxindole Hybrid Derivatives

YANG Jun, HUANG Dongyan, LIANG Guangping, LIU Xiongli

2026, 47(7):  20260072.  doi:10.7503/cjcu20260072

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Aiming to search for novel anti-lung cancer active compounds， 1，3-dipoles were obtained by decarboxy-lation of isatin with sarcosine， proline and thioproline， respectively， and then 1，3-dipole cycloaddition reactions were carried out with 3-（1H-indol-4-yl）-1-（2-pyrimidinyl）-2-propen-1-one as the dipole philophore to obtain a total of 33 target compounds. Their structures were characterized by means of nuclear magnetic resonance hydrogen spectrum， nuclear magnetic resonance carbon spectrum and high Resolution mass spectrometry， and the relative configurations was determined by X-ray single crystal diffraction. The in vitro inhibitory activities of the target compound on cisplatin-resistant human lung adenocarcinoma cell line（A549/DDP） and human non-small cell lung cancer cell line（A549） were determined by the cell counting kit-8. This type of compound had good inhibitory activity against both A549 and A549/DDP cells， and had high selectivity against the drug-resistant strain A549/DDP. Compound 4cj showed excellent inhibitory activity［half maximal inhibitory concentration（IC₅₀）=（0.037±0.002） μmol/L］ and selectivity against A549/DDP， which was more than 60 times that of the positive control drug cisplatin［IC₅₀=（2.496±0.117） μmol/L］， and could significantly block the cell quiescence（G₀） and DNA synthesis prophase（G₁） of A549/DDP cells， induce cell apoptosis and inhibit cell migration ability， its mechanism of action may be associated with the Janus kinase（JAK） and P-glycoprotein targets（P-gp）. The above results indicated that compound 4cj can be used as a lead compound for further research and development into a highly efficient and selective anti-lung cancer drug.



Chemical Biology

High-internalization-efficiency Aptamer-based LYTACs Chimera for Enhanced Degradation of Leukemia Cell Membrane Proteins

CHEN Zhuoran, GONG Lingyu, AI Lili, ZHANG Peng, ZHOU Yanhua

2026, 47(7):  20260017.  doi:10.7503/cjcu20260017

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In this study， we developed a novel bifunctional lysosome-targeting chimera（LYTAC）， designated HG9-10-tri， by covalently conjugating tri-GalNAc（a lysosome-trafficking ligand） to HG9， an aptamer that binds transferrin receptor 1（TfR1/CD71） with high affinity and internalization efficiency. This chimeric molecule was designed to achieve potent and selective degradation of CD71. Following the optimization of the linker length between HG9 and tri-GalNAc， we demonstrated that HG9-10-tri retains unaltered stability and binding affinity for human acute monocytic leukemia（MV4-11） cells while specifically recognizing acute myeloid leukemia（AML） cell lines. Mechanistically， HG9-10-tri engages the asialoglycoprotein receptor（ASGPR） to trigger endocytosis and lysosomal trafficking， resulting in significant downregulation of cell surface CD71 protein levels in a time- and concentration- dependent manner. Functionally， CD71 degradation suppressed MV4-11 cell viability， induced apoptosis， and triggered G1 phase cell cycle arrest. Collectively， these findings establish HG9-10-tri as a promising therapeutic strategy for CD71-overexpressing acute myeloid leukemia.



Physical Chemistry

Density Functional Theory Studies of Guaiacol Hydrodeoxygenation on Ni-Fe Cluster/Al₂O₃ Surface

ZHAO Hao, DAI Bowen, CHENG Chongbo, BIAN Fengjie, SHEN Dekui, JIANG Xiaoxiang

2026, 47(7):  20250409.  doi:10.7503/cjcu20250409

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To elucidate the synergistic mechanism of bimetallic supported catalysts in the hydrodeoxygenation（HDO） of guaiacol， this study constructed Ni/Al₂O₃ and Ni-Fe/Al₂O₃ models based on density functional theory to systematically investigate the adsorption activation and reaction pathways of guaiacol. The results indicate that Fe doping significantly enhances the metal-support interaction， thereby improving the structural stability of the catalyst. Guaiacol preferentially undergoes demethylation on both catalysts； however， the introduction of Fe specifically activates the methoxy C—O bond， reducing its cleavage energy barrier from 1.20 eV to 0.84 eV. This shifts the rate-determining step of the HDO reaction from demethylation to the hydrogenation of intermediate products. Regarding the subsequent transformation of the catechol intermediate， while Fe doping does not alter the primary pathway of preferential dehydroxylation， it generally increases the energy barriers for the elementary steps. Electronic structure analysis reveals that the high oxophilicity of Fe drives electron migration from the metal cluster to the support， resulting in reduced electron density within the metal cluster. This electronic reconstruction effect promotes C—O bond activation（deoxygenation） while inhibiting benzene ring hydrogenation activity， providing a theoretical basis for understanding the high selectivity deoxygenation mechanism of non-noble metal catalysts.



Phase Behavior and Extraction Performance of Aqueous Two-phase System Comprising L-Carnitine-based Deep Eutectic Solvents and Polyethylene Glycol

WANG Hui, FAN Ye, ZHANG Yongmin, FANG Yun

2026, 47(7):  20250367.  doi:10.7503/cjcu20250367

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Ionic liquid-based aqueous two-phase system （IL-ATPS）， a type of mild and efficient liquid-liquid extraction system， has attracted wide-ranging attention. However， the practical application of imidazolium- and pyridinium-based ionic liquids are severely restricted because of their high toxicity. Deep eutectic solvents（DES）， which inherit the advantages of IL and exhibit biodegradability， have been used as substitutes for IL to construct ATPS. In this study， two biocompatible DES were synthesized using L-carnitine and two common organic acids （L-lactic acid and DL-malic acid）. The structures of the two DESs were confirmed by FTIR and ¹H NMR. DES-based ATPS（DES-ATPS） was constructed using L-carnitine-based DES and polyethylene glycol（PEG）. The liquid-liquid phase behavior of the DES-ATPS was investigated， and the main factors influencing its phase-forming ability were examined. The results indicate that the DES-ATPS exhibits typical low critical solution temperature（LCST） phase transition behavior. The increase in the average molecular weight of PEG， the decreased hydrophilicity of the hydrogen bond donor in the DES， and the increased molar ratio of the hydrogen bond acceptor all contribute to enlarging the hydrophilic/hydrophobic difference between the DES and PEG， thereby promoting the formation of the ATPS. These align with the principle that the greater the difference in hydrophilicity/hydrophobicity between components forming ATPS， the stronger the phase-forming ability exists. Vanillin was selected as the model extraction compound to systematically investigate the extraction performance and potential of the DES-ATPS. The experimental results demonstrate that under the optimized conditions， the system achieves a notably high extraction efficiency， with the recovery rate of vanillin reaching up to 93.6%， which verifies the possibility of its application in extraction systems.



Determination of Main Products and Their Yields in Competitive Reactions Governed by Kinetics and Thermodynamics Using Quantum Chemical Computation

MO Yonghang, LIU Yongdong, ZHONG Rugang

2026, 47(7):  20250357.  doi:10.7503/cjcu20250357

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There are many competitive reactions in chemical reactions， especially in organic chemical reactions. However， how to determine the main products and their yields in the competitive reactions whose kinetically- controlled product（KP） and thermodynamically-controlled product（TP） are inconsistent is of significance to analyze the compositions and proportions of products and to obtain high-yield target product and is also a problem puzzled the researchers. In this study， a critical time（t_c） was defined as the time when the yield of KP is equal to that of TP and critical time ratio ζ was defined as the ratio of reaction time t to t_c. Based on numerical solution and further analysis， formulas of t_c and ratio of yields r_y=c（KP）/c（TP） were obtained as follows： t_c=pK_（KP）/k_（TP） and r_y=｛r_k， ζ<0.3/r_k； 1/（2 ^ζ -1）， 5/r_k <ζ<log₂（r_K /5+1）； 1/r_K， ζ>log₂（5r_K ）｝. Based upon above formulas， the main products of Diels-Alder reaction between furan and maleimide were investigated. The results indicated that the main product is endo-product and exo-product when temperature is below 50 ℃ and above 65 ℃， respectively， which is in good agreement with experimental results that endo-product and exo-product were obtained at 25 and 90 ℃， respectively. This verified the accuracy of the obtained formula in determining the main product in the competitive reaction. Moreover， studies on chlorination of nucleosides showed that the APT charge and electrostatic potential parameters are only applicable for kinetically-controlled reaction to predict main products， but not for thermodynamically-controlled reaction.



Mechanism of Action of Antimicrobial Peptides Magainin and Indolicidin on Gram-negative and Gram-positive Bacterial Membranes

AN Yannan, SHAO Xueguang, CAI Wensheng

2026, 47(7):  20250356.  doi:10.7503/cjcu20250356

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Molecular dynamics simulations were employed to comparatively investigate the interaction mechanisms of the antimicrobial peptides Magainin and Indolicidin with the cell membranes of Gram-negative and Gram-positive bacteria， respectively. Structural changes， adsorption process， membrane perturbations， and peptide-membrane interactions of both peptides were systematically analyzed. The results demonstrate that Magainin， which exhibits an unstable helical structure in an aqueous environment， forms a stable helix upon binding to membranes. Moreover， it shows stronger binding ability and more significant disruption on the membrane of Gram-negative bacteria， indicating its higher selectivity for this type of bacteria. In contrast， Indolicidin maintains a flexible random coil structure， enabling rapid adsorption and stable binding to the membrane surface primarily through synergistic electrostatic attraction and hydrophobic interactions. However， it causes relatively minor perturbation to both types of bacterial membranes. This comparative study provides a theoretical basis for understanding the selectivity of Magainin for Gram-negative bacteria and the broad-spectrum activity of Indolicidin.



Parameter Dependence and Reaction Control in the Hydrophilic Ruthenium/Triphenylphosphine-3，3′， 3″-trisulfonic Acid Trisodium Salt Complex-catalyzed Dehydrogenation of Formic Acid

YUAN Ning, YU Ruixin, YANG Yanyan, YANG Song, LIU Shoujun, YU Zhongliang

2026, 47(7):  20250331.  doi:10.7503/cjcu20250331

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The water-soluble homogeneous catalyst of formic acid dehydrogenation exhibits high efficiency and rapid response. However， these catalysts are more sensitive to changes in reaction parameters. Here， we systematically investigate the influence of reaction parameters， including catalyst concentration， molar ratio of formic acid（FA） to sodium formate（SF） and type of formate cation on the performance of formic acid dehydrogenation， by employing a commercially promising water-soluble ruthenium/triphenylphosphine-3，3′， 3″-trisulfonic acid trisodium salt（Ru/m-TPPTS） catalyst. The results reveal that the activity of the Ru/m-TPPTS catalyst follows a volcano-type dependence on the FA concentration and FA/SF ratio. Its turnover frequency（TOF） reached 2291 h^-1（five times that of the commercial catalyst Ru/m-TPPTS） under optimal conditions of 2.4 mol/L FA and an FA/SF ratio of 6/4. By altering the type of formate cation， it was found that solutions containing NH₄⁺ exhibited lower hydrogen production rates compared to those containing Na⁺ or K⁺. This behavior is attributed to the ability of NH₄⁺ to maintain the system at a lower pH value， suppressing the dehydrogenation reaction. Furthermore， the dehydrogenation rate did not increase linearly with catalyst concentration. A double-logarithmic fitting of gas production rate（r′） versus catalyst concentration yielded a slope of n=0.76， suggesting that the reaction is not governed by a single active species. Based on the high sensitivity of the catalyst to reaction conditions， the hydrogen release process was effectively regulated by alternately adding sodium hydroxide（NaOH） and FA in the water-soluble homogeneous catalytic system. This study provides a theoretical foundation for the reaction control and industrial application of water-soluble homogeneous catalysts.



Polymer Chemistry

Polymerization Kinetics of Propylene Catalyzed by Ziegler-Natta Catalysts——The Influence Mechanism of Diffusion Control on Catalytic Polymerization

GAO Wenxiao, ZHAO Yuanjin, WANG Xihui, WANG Renhong, HE Aihua

2026, 47(7):  20260074.  doi:10.7503/cjcu20260074

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This study investigated the propylene polymerization behaviors using particulate Ziegler-Natta（Z-N） catalyst（Cat-P） and slurry Z-N catalysts（Cat-M1 and Cat-M2） derived from Cat-P with different dispersion media. The results demonstrated that Cat-P exhibited the fastest activation， the highest catalytic activity and yielded polypropylene（PP） with the highest isotacticity and the lowest fine powder content（0.6%， mass fraction）. In contrast， the slurry catalyst Cat-M1 showed the lowest catalytic activity and produced PP with the highest fine powder content（10.7%） and the lowest isotacticity. The slurry catalyst Cat-M2， prepared by modifying the viscosity and surface tension of dispersion medium M1， exhibited higher catalytic activity， improved isotacticity， and reduced fine powder content compared to Cat-M1. The study elucidated that the dispersion medium with high viscosity and surface tension impeded the diffusion of co-catalyst， external donor， and propylene monomer into the catalyst particles. Diffusion control slowed the formation of highly stereospecific active sites， while also leading to insufficient monomer supply locally， which in turn facilitated the deactivation of some active sites via further reduction by alkylaluminum. Consequently， Cat-M1 exhibited lower initial activity， decreased isotacticity， and increased fine powder generation during the early polymerization stage. The particulate Cat-P and modified Cat-M2 catalysts allowed for rapid initiation and polymerization at the Ti active sites. The rapidly growing polymer chains effectively exerted a “guard effect” to protect the active sites from deactivation. This work clarified the diffusion-controlled effects during the activation and chain propagation of heterogeneous Z-N catalysts， providing a theoretical basis for the stable control of industrial olefin polymerization.



Molecular Design， Synthesis and Characterization of Bio-based Acetosyringone-derived Poly（aryl ether ketone）s

PANG Yiying, HAN Jianhua, ZONG Lishuai, WANG Jinyan, JIAN Xigao

2026, 47(7):  20260030.  doi:10.7503/cjcu20260030

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A novel oxygen heterocyclic pyridazinone monomer 6-（4-hydroxy-3，5-dimethoxyphenye）pyridazin-3（2H）- one（AGPZ） derived from the biobased compound acetosyringone was synthesized. Theoretical simulations of the phenoxide anions of AGPZ and the previously reported guaiacol-derived monomer 6-（4-hydroxy-3-methoxyphenyl） pyridazin-3（2H）-one（GSPZ） were conducted using Materials Studio. Comparative analysis reveals that the electrostatic potential extremum at the phenoxide anion of GSPZ is lower， indicating that the nucleophilic substitution activity of AGPZ is lower than that of GSPZ. Nevertheless， the successful synthesis of an AGPZ model compound confirmed that AGPZ still possesses sufficient nucleophilic substitution reactivity. A series of biobased poly（aryl ether ketone）， named as PAFEKKs， was synthesized through ternary copolymerization of AGPZ with the 2，5-bis（4-fluorobenzoyl）furan（BFBF） and 9，9-bis（4-hydroxyphenyl）fluorene（BHPF）. The synthesized PAFEKKs show a glass transition temperature（T_g， ℃） in the range of 217—226 °C and a 5% mass loss decomposition temperature（T_d，5%， ℃） between 419 and 474 °C， demonstrating excellent thermal stability. Furthermore， PAFEKKs exhibit good solubility， readily dissolving in most common organic solvents at room temperature. This synthetic method strategy utilizing biomass- derived monomers offers a molecular design and synthetic route for biobased resins， presenting a promising avenue for the development of sustainable monomers and polymers with diverse structural architectures.



Acrylate-Epoxy Two-stage Resin Inflatable Deployable Tube

MA Deping, CHEN Jiaxing, SHI Zhiwei, ZHANG Weiping, ZHANG Yazhen, AN Hongjing, WU Chao, LAI Hua, CHENG Zhongjun, LIU Yuyan

2026, 47(7):  20250396.  doi:10.7503/cjcu20250396

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A two-stage photo/thermal curing acrylate-epoxy resin system was designed， and the influence of the mass ratio between acrylate and epoxy resin on the material’s mechanical properties and shape memory properties was explored. The optimized acrylate-epoxy resin system was used to prepare composite materials with aramid fibers. By adjusting the resin-fiber content ratio， the mechanical properties and shape memory properties of the composites were studied and optimized. Meanwhile， an inflatable deployable tube was fabricated using the composite materials. The experimental results show that based on the photo/thermal two-stage curing technology， the inflatable deployable tube can be designed into different permanent shapes as required. At the same time， by combining the inflatable deployment technology and the shape memory effect of the material， state control between the permanent shape and the new temporary shape can be achieved. In addition， the influence of the length-to-diameter ratio of the deployable tube on its pressure retention performance， mechanical property and shape memory property was analyzed in detail， and the theoretical analysis of the controllability of its shape was carried out. Results indicate that the shape memory function of the deployable tube originates from the reversible change of the molecular conformation of the resin after curing. In addition， the two-stage curing characteristics of the resin and the synchronous increase in modulus are the fundamental reasons why the deployable tube can be set to different permanent shapes as required.



Environmental Chemistry

Recycling Treatment of Stainless Steel Pickling Wastewater by Combination of Diffusion Dialysis and Three-step Precipitation Processes

YANG Zhenmiao, WU Yannan, CHEN Jingfeng, LIN Yawei, WEI Chenjie, LIU Lifen

2026, 47(7):  20250370.  doi:10.7503/cjcu20250370

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China is the largest producer of stainless steel in the world. The production process of stainless steel generates a large amount of pickling wastewater， which contains high concentrations of strong acids and heavy metal salts. If discharged directly， it will seriously pollute the environment and cause resource waste. Therefore， this study designs a combined method of "diffusion dialysis + three-step precipitation" for the recycling treatment of stainless steel pickling wastewater. Firstly， the diffusion dialysis technology was adopted to separate the high-concentration mixed acids（including HNO₃ and HF） from the heavy metal salts（including iron， chromium， and nickel heavy metal salts） in the wastewater to recover the mixed acids. Subsequently， a three-step precipitation method was used to recover heavy metals （including iron， chromium， and nickel） from the residual liquid of diffusion dialysis. The influence of ion-exchange membrane type， feed flow of the wastewater and the flow ratio of the diffusion side to the dialysis side were investigated on both the mixed acid recovery rate and heavy metal retention rate in the diffusion dialysis process. Meanwhile， the three-step precipitation technics was optimized（including the precipitant composition， precipitation temperature and pH value， etc）. The research results showed that the optimal process for diffusion dialysis is： TWDDA3S anion exchange membrane was adopted， the feed flow of wastewater was 6 mL/min， and the flow ratio of the diffusion side to the dialysis side was 1.5∶1. Under these conditions， the total recovery rate of nitric acid and hydrofluoric acid could reach up to 69.5%. Meanwhile， the retention rates of the three heavy metal ions including iron， chromium and nickel reached 97.0%， 98.0% and 96.4%， respectively. The optimal process for the first-step precipitation is as follows： the mole concentration ratio of the composited precipitants of KOH and KF is 7∶1， and the precipitation temperature is 15 ℃. Under these conditions， the recovery rates of heavy metals of iron and chromium reach 96.2% and 90.7%， respectively. The optimal process for the second-step precipitation is as follows： 0.02 mol/L HNO₃ and 0.30 mol/L KF are used to conduct advanced treatment on the filtrate from the first-step precipitation. Under these conditions， the retention rate and purity of nickel ions reach 98.7% and 89.6%， respectively. The optimal process for the third-step sedimentation is to control the pH value of the filtrate at around 11 with KOH， under which all nickel could be recovered.