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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 （512）   HTML （39）    PDF（pc） （4355KB）（5669）       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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超分子纳米药物递送系统 刘轶, 张皓, 杨柏 Chem. J. Chinese Universities    2025, 46 (1): 1-2.   Abstract （5）      PDF（pc） （275KB）（1103）       Knowledge map    Save Related Articles | Metrics

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Mechanism of Molecular Oxygen Activation Mediated by Hydroxyl Groups on the Surface of Red Clay DU Qing, NIU Huibin, XU Yan, ZHANG Jing, LAN Xing, HUANG Yingping, TAN Yunzhi, CHEN Xiaoting, FANG Yanfen Chem. J. Chinese Universities    2024, 45 (3): 20230422-.   DOI: 10.7503/cjcu20230422 Abstract （816）   HTML （15）    PDF（pc） （6291KB）（1064）       Knowledge map    Save The activation mechanism of molecular oxygen（O2） by surface hydroxyl groups（Me-OH， Me=Al， Si， Fe） of natural clay minerals is still unclear. In this study， red clay（R-Clay） was heat-treated at varying temperatures in N2 to adjust the number and shape of Me-OH sites on its surface， thus activating O2 to different degrees for tetracycline（TC） degradation in water. As the temperature increased， the kaolin structure in R-Clay was gradually destroyed， and the Fe2O3 structure became more prominent. Among them， Me-OH on the surface of red clay （R-Clay400） exists in the form of Al-Al-OH and Al-Si-OH， which efficiently degraded（86.36%） and mineralized TC（40%， 6 h）. Under visible light irradiation， both oxygen atoms and TC molecules on R-Clay400 Si-O-Al can be used as electron donors to transfer photogenerated electrons（e-） to O2 adsorbed on the surface of R-Clay400 to form superoxide radical（•O2-） and singlet oxygen（1O2）， thus achieving efficient degradation of TC. Here， the surface Me-OH， used as the Brönsted site， adsorbs O2 by hydrogen bond， which promotes electron transfer rather than traditional electron donor. This study further clarified the activation mechanism of clay minerals to O2 and promoted the development of related research fields of mineral-based materials. Table and Figures | Reference | Supplementary Material | Related Articles | Metrics

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Component-tunable PdRh Bimetallic Nanozyme for Ultra-sensitive Colorimetric Detection of Nitrite TANG Yuxi, YANG Qi, ZHI Xinpeng, CHEN Mengyuan, LIU Siyuan, LI Jiachang, LIU Ziyang, JIA Huimin, TONG Yuping, HE Weiwei Chem. J. Chinese Universities    2025, 46 (1): 20240341-.   DOI: 10.7503/cjcu20240341 Abstract （767）   HTML （8）    PDF（pc） （8343KB）（838）       Knowledge map    Save A series of bimetallic nanozymes（Pd3Rh， PdRh， PdRh3） was prepared using one-pot hydrothermal method by adjusting the ratio of palladium（Pd） to rhodium（Rh）. The peroxidase-like（POD-like） and oxidase-like（OXD-like） activities of nanozymes were tested. The results showed that the catalytic activity of bimetallic nanozymes was significantly enhanced compared to that of single metallic nanozymes（Pd， Rh）. The POD-like and OXD-like activities exhibited obvious component dependence， and PdRh3 and PdRh nanozyme showed the strongest POD-like and OXD-like activity， respectively. The analysis of enzymatic kinetics showed that the Michaelis-Menten constant （Km） of PdRh3 nanozyme with 3，3'，5，5'-tetramethylbenzidine（TMB） and H2O2 as substrates are 15.65 and 381.99 μmol/L， respectively. The corresponding maximum velocity（vmax） reach 8.40×10-8 and 11.01×10-8 mol/（L·s）. In addition， the POD-like activity of PdRh3 nanozyme was pH-dependent， and the optimized activity was obtained at pH=5. A colorimetric sensing system was developed based on PdRh3 nanozyme， which realized the rapid quantitative detection of nitrite concentration in solution according to the fitting relationship between the absorbance ratio（A445 nm/A652 nm） and the concentration of nitrite ion（NO2-）. The limit of detection（LOD） in pH=5 buffer and pure water are 0.467 and 30.523 μmol/L， respectively， and the system has a good specificity under the interference of various salt ions， demonstrating great application potential in biosensing. Table and Figures | Reference | Related Articles | Metrics

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Research Progress on the Molecular Structure of Amorphous Chalcogen Elements SHI Wuyi, BAO Yu, CUI Shuxun Chem. J. Chinese Universities    2024, 45 (6): 20240054-.   DOI: 10.7503/cjcu20240054 Abstract （866）   HTML （47）    PDF（pc） （6540KB）（746）       Knowledge map    Save Chalcogen elements（including sulfur， selenium， and tellurium） are essential substances in the nature and have wide-range applications in photoelectric materials， batteries， semiconductors， and other fields. Chalcogen elements have two structural forms： crystalline and amorphous. While the molecular structure of crystalline chalcogen elements has been extensively investigated， the molecular structures of amorphous chalcogen elements remain uncertain. To better explore the potential applications of amorphous chalcogen elements， it is necessary to study their structure and properties. This paper summarizes recent advancements in understanding the molecular structure of amorphous chalcogen elements and envisages potential research directions. These efforts aim to contribute to a more comprehensive understanding of the properties of amorphous chalcogen elements and to foster their application across diverse fields. Table and Figures | Reference | Related Articles | Metrics

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Application of Nanozyme-based Micro/nanomotors in Smart Drug Delivery ZHANG Dang, SUN Xiaomin, YANG Haiyue, SONG Bohan, CONG Meng, WANG Yuxin, DING Feng, XU Shanshan, BI Sai, WANG Lei Chem. J. Chinese Universities    2025, 46 (1): 20240468-.   DOI: 10.7503/cjcu20240468 Abstract （930）   HTML （32）    PDF（pc） （17644KB）（599）       Knowledge map    Save To solve the problems of instability， inactivation of natural enzymes and to tackle the limitations of low delivery efficiency， nanozyme-based micro/nanomotors have been designed and prepared. These motors， with the combination of the efficient and stable catalytic ability of nanozyme and the autonomous motion capability of micro/ nanomotors， could achieve active targeted drug delivery at the diseased site and respond to specific signals for intelligent and controllable drug release， therefore exhibiting significant potential in smart drug delivery applications. Following the developing idea of “from motility， to controllability and applicability”， this paper provides a comprehensive review of various types of nanozymes， discusses the motion regulatory strategies of micro/nanomotors， systematically reviews the cutting-edge applications of nanozyme-based micro/nanomotors in precision drug delivery， and summarizes the challenges and future development prospects for this technology in practical application， wishing to provide fundamental guidance for the development of this field. Table and Figures | Reference | Related Articles | Metrics

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Cover and Content of Chemical Journal of Chinese Universities Vol.45 No.11(2024) Chem. J. Chinese Universities    2024, 45 (11): 1-6.   Abstract （304）      PDF（pc） （19537KB）（585）       Knowledge map    Save Related Articles | Metrics

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Internal Standard Method-based Surface-enhanced Raman Spectroscopy for Quantitative Analysis BI Yingna, LIU Dingbin Chem. J. Chinese Universities    2025, 46 (2): 20240457-.   DOI: 10.7503/cjcu20240457 Abstract （980）   HTML （47）    PDF（pc） （13761KB）（574）       Knowledge map    Save Surface-enhanced Raman spectroscopy（SERS） is a spectral detection method that has been widely used in the fields of disease diagnosis， drug screening， and biological analysis， etc. It can not only provide rich chemical fingerprint information but also has the advantages of high sensitivity， resistance to photobleaching， and photodegradation. However， due to the poor uniformity of its enhancement matrix structure and the uncertainty of the number of chemical molecules adsorbed， the reproducibility of SERS detection results is poor， which makes it face many challenges in quantitative analysis. The deployment of internal standards could eliminate the external interference factors， thus achieving accurate quantitative analysis. We set out this review with a description of the mechanism of internal-standard methods， followed by introducing their main types. Thereafter， we introduced explanations of the applications of internal-standard probes in environmental analysis， food and drug analysis， and biological analysis. We conclude with an outlook of challenges and future development directions of internal-standard SERS. Table and Figures | Reference | Related Articles | Metrics

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First-principles Study on the Catalysis of OER/ORR by N-doped Graphene with Defects HUANG Zhiyao, LI Li, XU Huaqing, YANG Yifan, WEI Yaoyao, LIU Guokui, XIA Qiying Chem. J. Chinese Universities    2025, 46 (2): 20240430-.   DOI: 10.7503/cjcu20240430 Abstract （879）   HTML （26）    PDF（pc） （2927KB）（547）       Knowledge map    Save Non-metallic doped graphene-based catalysts have good application prospects in catalyzing oxygen evolution reaction（OER） and oxygen reduction reaction（ORR）. Based on the common double vacancy defects of graphene， non-metallic N-doped catalytic material was constructed and all possible active sites were studied. Through DFT calculation， we find that none of the 13 carbon active sites can effectively adsorb H2O， while O2 can be effectively adsorbed. The calculation results show that the optimal catalytic site for ORR is C12， with the overpotential of 0.71 V for catalyzing ORR， followed by the C10 site adjacent to pyridine N and C3 site， with the overpotentials of 0.75 V and 0.78 V， respectively. This study demonstrates that non-metallic N-doped defective graphene materials can be applied to catalyze ORR， providing theoretical support and guidance for non-metallic catalysis in the OER/ORR reactions. Table and Figures | Reference | Supplementary Material | Related Articles | Metrics

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Synthesis and Near-infrared Reflective Properties of Rare-earth-doped Bi2－x Gd x MoO6 YAN Junlin, LI Xiaodong, LIU Dongyang, LI Mingzhe, ZHANG Su Chem. J. Chinese Universities    2025, 46 (9): 20250088-.   DOI: 10.7503/cjcu20250088 Abstract （446）   HTML （11）    PDF（pc） （7683KB）（528）       Knowledge map    Save In response to the escalating challenges of global climate change and urban heat island effects， the development of energy-efficient functional materials with high near-infrared（NIR） reflectance and effective thermal regulation capabilities has become a research focus. Traditional oxide materials， such as Bi2MoO6， still exhibit certain limitations in NIR reflectance. In recent years， rare-earth-modified molybdate materials have attracted significant attention in the field of NIR-reflective coatings due to their excellent optical response characteristics and structural stability. In this study， Gd3+-doped Bi2－x Gd x MoO6（x=0， 0.2， 0.4， 0.6， 0.8， 1.0） NIR reflective materials were synthesized via a solid-state reaction method. The obtained samples were systematically characterized by X-ray diffraction（XRD）， scanning electron microscopy（SEM）， energy-dispersive spectroscopy（EDS）， Fourier transform infrared spectroscopy（FTIR）， Raman spectroscopy， near-infrared（NIR） reflectance spectroscopy， thermogravimetric-differential scanning calorimetry（TG-DSC） and thermal insulation performance tests. The results indicated that the synthesized samples exhibited good crystallinity. Gd3+ doping induced a bandgap narrowing （from 2.87 eV to 2.80 eV）， leading to a redshift of the absorption edge and enhanced absorption in the 450—600 nm blue-green region， resulting in a more pronounced yellow hue and enabling effective color modulation. All Bi2－x Gd x MoO6 samples exhibited high NIR reflectance， with values exceeding 87.68%， significantly higher than that of TiO2（75.66%）. In particular， the sample with x=0.4 demonstrated the highest NIR reflectance of 90.11% and a NIR solar reflectance of 89.53%， which are 14.45% and 9.24% higher than those of TiO2， respectively. Infrared lamp irradiation experiments further confirmed the superior energy-saving and thermal insulation performance of the materials. TG-DSC analysis revealed that Bi2－x Gd x MoO6 pigments possess excellent thermal stability， allowing for long-term application in high-temperature environments. These findings offer a new and promising alternative for high-performance thermal insulation materials. Table and Figures | Reference | Related Articles | Metrics

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Research Progress on Eutectic Gallium-indium and Self-assembled Monolayer-based Functional Molecular Junctions CHEN Xiaoping, HUANG Shi, GUO Qianqian, LIU Ning, NI Jiancong, YANG Weiqiang, LIN Zhenyu Chem. J. Chinese Universities    2025, 46 (2): 20240451-.   DOI: 10.7503/cjcu20240451 Abstract （790）   HTML （27）    PDF（pc） （14619KB）（500）       Knowledge map    Save Functional molecular electronics based on eutectic gallium⁃indium as top electrode and self-assembled monolayer（SAM） as active layer is one of the research hotspots in recent years. Domestically， the study on EGaIn-based functional molecular junctions（MJ） is still in the beginning state. This review introduces the advantages of EGaIn as top electrode and the fabrication of SAM-MJ in detail， and shows recent workers on rectifiers， memory， opto-electrical switches， thermoelectrics， and solid-state impedance and so on. We analyze the challenges of EGaIn-based molecular junctions and propose the future development directions. Table and Figures | Reference | Related Articles | Metrics

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Fe-N co-Doped Carbon Quantum Dots as Highly Active Peroxidase Mimics for Colorimetric Detection of Chlorogenic Acid ZHANG Min, ZHANG Wenhao, LI Guangying, WANG Limin, SHAN Guiye Chem. J. Chinese Universities    2026, 47 (2): 20250289-.   DOI: 10.7503/cjcu20250289 Abstract （140）   HTML （5）    PDF（pc） （3192KB）（498）       Knowledge map    Save Fe-N-CDs nanopaticles were successfully prepared by one-step hydrothermal method using L-histidine and Fersulfate heptahydrate（FeSO₄·7H₂O） as precursors. The introduction of Fe atoms produced more active sites on the surface of carbon dots， promoted the electron transfer in the catalytic process， and thus improved the catalytic efficiency of the material. The Fe-N-CDs nanopaticles effectively catalyzed the decomposition of hydrogen peroxide （H2O2） to generate hydroxyl radicals（•OH）， which subsequently oxidized 3，3'，5，5'-tetramethylbenzidine（TMB） to form a blue oxidation product（oxTMB） with a characteristic absorption peak at 652 nm. Curcumin， a natural polyphenolic compound widely found in plants， exhibits excellent antioxidant properties and antidepressant effects. Leveraging the ability of curcumin to reduce oxTMB and cause its color to fade， a quantitative relationship between the change in absorbance and the curcumin content was established. This enabled the development of a colorimetric sensing method for the detection of curcumin. The experimental results demonstrated that this method possesses good selectivity， anti-interference capability and rapid response characteristics. It can be applied for the colorimetric analysis of antioxidant components in pharmaceuticals and food products， offering a new analytical approach for quality assessment of related products and the development of antidepressant drugs. Table and Figures | Reference | Related Articles | Metrics

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Pillaring Hydrogen Bonded Dense Structures of Chitosan for the Biosafe High-performance Humectant GAO Nan, ZHENG Yue, LI Huanhuan, ZANG Wanchen, YUAN Ye, YANG Yajie, JIN Zhe Chem. J. Chinese Universities    2024, 45 (3): 20230426-.   DOI: 10.7503/cjcu20230426 Abstract （460）   HTML （3）    PDF（pc） （4776KB）（473）       Knowledge map    Save Humectants with a large number of hydrophilic groups are able to increase or maintain the water content of a substance for a long time， which possess a huge range of applications in industries including medical care， food， cosmetic products， and medicinal herbs. Chitosan molecules featuring a variety of advantages of biodegradability， non-toxicity， anti-bacterial， etc， are investigated to be a high-performance humectant. Nevertheless， the dense structure originated from multiple hydrogen bonds leads to the inability of water molecules to access in the interior of the particles， which seriously depresses the material’s ability to absorb and store water. In this paper， a covalent coupling approach was adopted to react benzoic acid with chitosan through a dehydration polymerization reaction. The hydrophobic phenyl units are able to columnarize the hydrophilic chitosan chains， forming a large-volume space for the storage of the water molecules. Based on this， the specific surface area of the as-prepared material is enhanced by about 1000% compared to the original chitosan； correspondingly the water-absorption capacity has been increased by about 400%. At the same time， cellular safety tests have shown that the chitosan-based porous humectant possesses good biosafety properties. After uniformly distributed on top of the damping papers， the amount of water loss of the paper is improved by 20% compared to the commercial humectant， propylene glycol. Table and Figures | Reference | Supplementary Material | Related Articles | Metrics

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Preparation of Carbon Dot-based Multicolor Room-temperature Phosphorescent Materials via Precursor Structure Regulation Strategies LIU Jinkun, RAN Zhun, LIU Qingqing, LIU Yingliang, ZHUANG Jianle, HU Chaofan Chem. J. Chinese Universities    2025, 46 (6): 20240412-.   DOI: 10.7503/cjcu20240412 Abstract （793）   HTML （16）    PDF（pc） （7651KB）（460）       Knowledge map    Save In this paper， a simple precursor molecular structure regulation strategy was presented， and carbon dot-based composites with phosphorescent emission colors covering the visible light spectrum were prepared through an in situ calcination method using Al2O3 as a matrix and various small molecules as organic precursors. Transmission electron microscopy， Fourier-transform infrared spectroscopy， X-ray diffraction， and X-ray photoelectron spectroscopy confirmed the successful growth of carbon dots within the Al2O3 matrix. Fluorescence spectroscopy tests indicated that the phosphorescent colors of the four CDs@Al2O3 composites were blue（454 nm）， green（520 nm）， orange（572 nm）， and red（632 nm）， with average lifetimes of 130.6， 293.6， 498.6， and 539.0 ms， respectively. The observed redshift in phosphorescent emission wavelength attributed to the decrease in the energy gap between the excited state and ground state of the carbon dots with increasing π-conjugation and number of oxygen-containing functional groups in the precursor， which achieved the modulation of multicolor phosphorescent emissions. Based on the multicolor room-temperature phosphorescent characteristics of this material， its applications in anti-counterfeiting and information encryption was preliminarily explored. Table and Figures | Reference | Supplementary Material | Related Articles | Metrics

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Influence of Polycyclic Aromatic Hydrocarbon Molecular Framework on Single-molecule Conductance WANG Mingzhen, WANG Zhiye, LI Mengxiao, LU Yuhua, WANG Xu, LI Yunchuan Chem. J. Chinese Universities    2025, 46 (2): 20240429-.   DOI: 10.7503/cjcu20240429 Abstract （781）   HTML （22）    PDF（pc） （4103KB）（447）       Knowledge map    Save The charge transport process within molecular junctions is influenced by many factors， including the molecular backbones and anchoring groups. In this paper， to investigate the impact of the molecular backbone on the charge transport properties of molecular junctions， we designed and synthesized three kinds of polycyclic aromatic hydrocarbons（PAHs） with different fused-ring core（benzene， naphthalene and anthracene） as molecular skeleton and thiophene as anchor group. Scanning tunneling microscope break junction（STM-BJ） measurement and density functional theory（DFT） -based calculations were performed to investigate the charge transport process of single PAHs junctions. The STM experimental results of three molecules exhibit two distinct conductivity states， designated as high conductance states（GH） and low conductance states（GL）， which correspond to the two binding configurations of Au-π and Au-S within single molecular junctions for three molecules. In the case of the GL state， the increase of fused-ring core effectively shifts the HOMO level closer to the Au Fermi level， resulting in a conductance trend of GDT-A>GDT-N>GDT-B. In the GH state， the conductance value of three molecular junctions will not change obviously with the increase of π-conjugated area， but the increase in twist angle of PAHs results in an enhancement of steric hindrance， which reduces the probability of Au-π bonding configuration， ultimately leading to a change in the formation ratio of the two molecular configurations of Au-π and Au-S. Table and Figures | Reference | Supplementary Material | Related Articles | Metrics

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Thermal Activation Delayed Fluorescence Materials Based on 2-Cyanopyridine Electron Receptors WANG Qingsong, ZHANG Fujun, XU Huihui, CHEN Sihan, ZHANG Qianfeng, TONG Bihai, CHEN Ping, KONG Hui Chem. J. Chinese Universities    2024, 45 (3): 20230470-.   DOI: 10.7503/cjcu20230470 Abstract （625）   HTML （15）    PDF（pc） （3957KB）（446）       Knowledge map    Save Four luminescent materials with 2-cyanopyridine as electron acceptor were synthesized， and the effects of different electron donors on the luminescent properties of these materials were investigated. In the single crystal structure of compound 5-（10H-phenothiazin-10-yl）picolinonitrile（PTPN）， the intermolecular hydrogen bond between the pyridine ring and the C—H···π intermolecular interaction between the phenothiazine group form a coplanar molecular configuration between the pyridine ring and the thiophene group， causing its luminescence to blue-shift from 520 nm in the thin film to 400 nm. The luminescence wavelengths of four compounds in polymethyl methacrylate（PMMA） thin films range from 434 to 520 nm. The photoluminescence quantum yields（PLQYs） of 5-（10H-phenoxazin-10-yl）picolinonitrile（PXPN）， PTPN and 5-［9，9-dimethylacridin-10（9H）-yl］picolinonitrile（DAPN）， which are thermally activated delayed fluorescence（TADF） emission， ranges from 0.17 to 0.57. Their delayed fluorescence lifetimes range from 4.1 to 5.3 μs. The values of ΔEST are between 0.045 and 0.069 eV. The PLQY of 5-（3，6-di-tert-butyl-9H-carbazol-9-yl）picolinonitrile（BCPN） is 0.91， and its luminescence lifetime is 12.4 ns， indicating fluorescence emission. Electroluminescent device tests have shown that these materials emit green light. The device based on DAPN had the best overall device performance. The maximum brightness of the doped device can reach 2855 cd/m2， and the peak current efficiency（CE）， power efficiency（PE） and external quantum efficiency（EQE） are 37.6 cd/A， 12.6 lm/W and 10.4%， respectively. The device based on BCPN has formed an efficient electroplex with a maximum brightness of 2367 cd/m2， and peak CE， PE and EQE are 29.3 cd/A， 11.5 lm/W and 9.4%， respectively. This study indicates that cyanopyridine receptors can form stable intermolecular hydrogen bonds and can be used for the development of TADF materials. Table and Figures | Reference | Supplementary Material | Related Articles | Metrics

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High-throughput Calculations of Host-guest Interactions Between Organic Structure-directing Agents and Zeolite Structures with Different Elemental Compositions LI Lin, WANG Chen, WANG Jiaze, LI Li Chem. J. Chinese Universities    2025, 46 (4): 20240497-.   DOI: 10.7503/cjcu20240497 Abstract （747）   HTML （42）    PDF（pc） （1553KB）（444）       Knowledge map    Save Zeolites are inorganic microporous crystalline materials with regulated channel structures， which are widely used in industrial adsorption separation and catalytic processes. This work selected 14 topologies that can be synthesized in the form of pure silica， aluminosilicate， and aluminophosphate from over 260 known zeolite topologies， and explored the structure-directing effects of different organic structure-directing agents（OSDAs） for zeolite frameworks with different compositions via high-throughput computational methods. Results show that the OSDAs significantly affects the elemental composition of zeolites， with certain OSDAs tending to direct the formation of pure silica or aluminosilicate structures， while others preferentially direct towards pure aluminophosphate structures. These findings not only deepen the understanding of the synthetic mechanism of zeolites， but also provide a theoretical basis for the design and synthesis of zeolites with specific elemental compositions. Table and Figures | Reference | Supplementary Material | Related Articles | Metrics

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In situ Cupric Complexation Regulated Fenton-like Oxidation to Enhance the Selective Decontamination of Trace Aqueous Quinolones ZENG Xiangchu, DING Yixuan, WU Zhe, WANG Yanping, LIU Mu Chem. J. Chinese Universities    2025, 46 (3): 20240358-.   DOI: 10.7503/cjcu20240358 Abstract （488）   HTML （13）    PDF（pc） （6779KB）（436）       Knowledge map    Save As one of the emerging aqueous contaminants， quinolones have attracted extensive attention， and selective decontamination is one of the effective methods to solve this setbacks. Therefore， a homogeneous Fenton-like oxidation system of cupric complexes activated peroxymonosulfate（PMS） was proposed for the removal of trace quinolones（QNs） from water. Over a wide pH range， over 99% of QNs can be degraded within 60 min， but they are also free from the influence of natural organic matter（up to 1%） and various anions（up to 20%）. The activation of peroxymonosulfate by cupric complexes coupling Cu（Ⅲ） complexes generation in situ promoted an intramolecular electron transfer featuring selective oxidation of QNs. The generated Cu（Ⅲ） and ·OH played the primary and secondary role in the degradation of QNs， respectively. This work provides a successful case and feasibility for the selective decontamination of trace antibiotics via cupric complexes activated PMS Fenton-like oxidation system. Table and Figures | Reference | Related Articles | Metrics

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Synthesis and Temperature Control Performance of Silica Gel Waste Composite Phase Change Materials XIE Zhuoxue, KOU Yan, SHI Quan, TIAN Ying Chem. J. Chinese Universities    2025, 46 (2): 20240372-.   DOI: 10.7503/cjcu20240372 Abstract （651）   HTML （18）    PDF（pc） （6908KB）（420）       Knowledge map    Save In this study， silica gel waste（SGW） was utilized to prepare porous silicon dioxide（PSD） as a carrier， combined with capric acid-hexadecyl alcohol（DA-HD） as the base phase change material（PCM）， to develop the composite PCM capric acid-hexadecyl alcohol/porous silicon dioxide（PSD-DA-HD）. Expanded graphite（EG） was introduced to enhance the thermal conductivity of the material. The thermal performance of the composite PCM was evaluated using differential scanning calorimetry（DSC）， thermogravimetric analysis（TGA）， and thermal constant analysis. The composite PCM was then blended with cement mortar to form phase change mortar， and its temperature regulation capability was studied in simulated application experiments. The results indicate that DA-HD is physically encapsulated within the pores of PSD， achieving a loading capacity of 61.7%， with an enthalpy value of 105.6 J/g. The PSD-DA-HD composite PCM demonstrates good shape stability. The introduction of expanded graphite increased the thermal conductivity of the PSD/EG-DA-HD composite PCM to 0.9513 W·m‒1·K‒1 but reduced its loading capacity to 49.5%， with an enthalpy value of 88.1 J/g. Both PSD-DA-HD and PSD/EG-DA-HD exhibit a maximum working temperature of 92.2 ℃， ensuring thermal stability below this threshold. When PSD-DA-HD and PSD/EG-DA-HD were mixed with cement mortar， the resulting phase change mortars displayed excellent heat storage and temperature regulation properties. The phase change mortars C-PSD-DA-HD and C-PSD/EG-DA-HD maintained stable temperatures for 12.7 and 6.7 min， respectively， within the temperature range of 18—32 ℃. In the simulation experiments， the phase change mortar containing PSD-DA-HD extended the temperature regulation duration by 267.92% compared to the control group without PCMs in the same temperature range. Table and Figures | Reference | Supplementary Material | Related Articles | Metrics

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Theoretical Study of the Effect of Conformational Structures on the Secondary Oxidation Reactions of cis-1，3-Dimethylcyclohexane SHEN Yuhao, TIAN Zemin, LI Wei, JI Yixuan, YAN Yingwen Chem. J. Chinese Universities    2025, 46 (3): 20240458-.   DOI: 10.7503/cjcu20240458 Abstract （483）   HTML （8）    PDF（pc） （5108KB）（412）       Knowledge map    Save In this study， quantum chemistry method of DLPNO-CCSD（T）/CBS//B3LYP/6-311++G（d，p） was applied for low-temperature secondary oxidation reactions of cis-1，3-dimethylcyclohexane， to optimize molecular geometries， compute vibrational frequencies， and refine single point energies of all related reactants， transition states， and products. In this way， the detailed potential energy surfaces for titled reactions were constructed. High pressure limit rate constants of main reaction channels were calculated based on transition state theory. It was shown that side-chain tended to benefit H-transfer channels of hydroperoxy alkylperoxy radicals（OOQOOH）， among which 1，5-H transfer reactions proved of great significance， competing with decomposition channel forming keto-hydroperoxides（KHP） and OH radical. Dihydrogen peroxide radicals［P（OOH）2］ resulted from H-transfer of OOQOOH radical mainly underwent cyclic ether reactions. The energy barriers of these reactions tended to increase due to side chain. Based on Rice-Ramsperger-Kassel-Marcus/master equation（RRKM/ME） method， the pressure-dependent rate constants were obtained， revealing that the effect of pressure on the rate constants of all above reactions was weak. Table and Figures | Reference | Supplementary Material | Related Articles | Metrics