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Structural Design of Bismuth Oxyhalide-Based Catalysts and Their Applications Research in the Field of Environment and Energy
LI Ming-yang;HU Qing-song;With continuous industrialization, resource shortages and environmental deterioration have become major issues that need to be addressed urgently.Since its discovery, the photocatalytic technology has attracted extensive attention from researchers worldwide owing to its green and environmentally friendly nature, high efficiency, energy conservation, and compliance with the concept of sustainable development.Although photocatalysis has great potential for solving energy and environmental problems, the traditional photocatalysts suffer from issues such as a narrow light response range, low light utilization rate, and high recombination rate of photogenerated carriers, which severely restrict their development and application.Therefore, the modification of photocatalysts has become important in this field.Semiconducting halogenated bismuth oxide(BiOX,X=Cl, Br, or I) catalysts are highly favored by researchers owing to their unique crystal structure, adjustable band structure, excellent charge separation capability, and good photochemical stability.This article first outlined the structural characteristics of BiOX-based catalysts, systematically summarized the modification strategies to improve their photocatalytic activity(including crystal plane engineering, morphology control, heterostructure construction, defect engineering, and element doping),and discussed their applications in the energy conversion and environmental governance fields, such as in pollutant degradation, carbon dioxide reduction, hydrogen peroxide preparation, and hydrogen evolution reaction.Further, the application potential of the BiOX-based catalysts in the field of photocatalysis was clarified using typical research cases.Finally, the challenges and future development directions for BiOX-based photocatalyst research were discussed.
Research Progress on Synthesis and Biological Activities of Pyranoindole Compounds
GAN Xu-mei;CHEN Wei-jie;WANG Cui-xia;WEN Xin-yu;ZHANG Zhen-wei;Pyranoindole compounds are a class of heterocyclic frameworks formed by the pyran and indole rings via various fusion modes.These structures are widely distributed in natural products derived from plants, fungi, and marine organisms.Owing to their unique electronic distributions, diverse fusion patterns, and abundant reactive sites, pyranoindoles exhibit a broad spectrum of biological activities, including anti-inflammatory, antibacterial, antitumor, and antiviral effects.Therefore, they have become a significant focus of research in medicinal chemistry.This review systematically summarized the recent progress in the synthesis and biological evaluation of pyranoindole derivatives over the past decade, with a particular emphasis on classification according to the different fusion sites of the pyran and indole rings, such as [2,3-b],[3,4-b],[4,3-b],[3,2-b],[2,3-e],[3,2-e],and [2,3-g].A diverse range of synthetic strategies has been developed.These included DABCO-catalyzed tandem Michael-Knoevenagel and oxa-Michael cyclization sequences, bifunctional squaramide-catalyzed Michael addition/cyclization, palladium-catalyzed decarboxylative cycloaddition enabling the dearomatization of 3-nitroindoles, iodine-promoted one-pot three-component reactions, electrochemical dual-oxidation cycloadditions, rhodium-catalyzed C—H activation and dual oxygen-coordinated annulations, graphene oxide-catalyzed tandem reactions in both organic and aqueous media, and BaTiO3 nanoparticle-assisted ultrasonic one-pot syntheses.Each strategy offered distinct advantages in terms of the substrate scope, stereocontrol, atom economy, and environmental compatibility.These methods have enabled the efficient assembly of structurally diverse pyranoindole scaffolds, including spirocyclic, tetracyclic, and fluorinated derivatives, with high yields and stereoselectivities in many cases.In terms of biological activities, representative pyranoindole derivatives have shown promising results in various pharmacological assays.Despite these findings, several challenges remain in the development of pyranoindole-based drug candidates.The natural sources of these compounds were limited, necessitating efficient chemical or biosynthetic approaches.However, existing synthetic routes often suffer from lengthy procedures, poor regio-and stereocontrol, and a limited substrate scope.Moreover, the structural diversity of pyranoindoles has not yet been fully exploited, particularly in terms of their asymmetric synthesis.Most biological studies were still in the preliminary stages of screening.The precise molecular targets, mechanisms of action, and comprehensive structure-activity relationships(SARs) remain largely unclear.To address these issues, future studies should focus on integrating synthetic organic chemistry and biology to develop efficient and sustainable synthetic strategies.Therefore, detailed SAR studies and target identification were urgently required to guide rational drug design.If these challenges were successfully addressed, pyranoindole compounds were expected to become promising candidates for treating various diseases, thereby offering new opportunities for drug discovery and development.This review served as a valuable reference for the discovery and structural optimization of novel pyranoindole-based lead compounds.
Computer-Assisted Study of the Mechanism of Action of Antibody-Conjugated Drugs Targeting EGFR Recombinant Fusion Protein
LIU Meng-ting;GUO Yi-han;LIU Si-yu;HAN Tian-chao;LI Yi-han;MA Yan-ying;ZHAO Si-min;ZHAO Wen-bo;A recombinant fusion protein-based antibody-drug conjugate utilizing lidamycin targets the epidermal growth factor receptor(EGFR).However, the targeting capabilities of antibody-drug conjugates with different structural configurations have not yet been reported.In this study, the three antibody-drug conjugates Fv-LDP-D3-AE,Fv-LDP-AE,and LDP-D3-AE(where Fv is the anti-EGFR single-chain variable fragment, LDP is the lidamycin apoprotein, D3 is domain Ⅲ of human serum albumin, and AE is the lidamycin enediyne chromophore) were individually docked with EGFR using ZDOCK software to obtain the corresponding complexes.The structural stabilities of the three complexes were analyzed using molecular dynamics simulations.The binding free energies between the antigen EGFR and the antibodies Fv-LDP-D3-AE,Fv-LDP-AE,and LDP-D3-AE were calculated using the MM-GBSA method, yielding values of-84.17,-65.94,and-51.95 kcal/mol, respectively.Molecular simulations revealed that Fv-LDP-D3-AE and Fv-LDP-AE formed stable structures with EGFR,whereas the binding stability of LDP-D3-AE to EGFR was relatively poor.Non-bonded interaction analysis indicates that electrostatic forces and van der Waals forces dominate the interactions between the antigen EGFR and the antibodies Fv-LDP-D3-AE,Fv-LDP-AE,and LDP-D3-AE,and that the antibody fragment Fv mainly acts on domain I of EGFR.When Fv-LDP-D3-AE bound to EGFR,ASP54 in Fv-LDP-D3-AE,along with ARG48 and TYR101 in EGFR,were key contributors to the binding free energy, with ASP54 and ARG48 forming hydrogen bonds and salt bridges, respectively.In the binding of Fv-LDP-AE to EGFR,TYR35 and ASP33 in Fv-LDP-AE and LEU14,ARG125,and THR15 in EGFR were important contributors to the binding free energy, where ASP33 and ARG125 formed hydrogen bonds and salt bridges, respectively.In the binding of LDP-D3-AE to EGFR,PHE2 in LDP-D3-AE,along with SER356,PHE156,and ARG353 in EGFR,are key contributors to the binding free energy, with PHE2 forming a hydrogen bond with ARG353 of EGFR.
Preparation and Characterization of Fluoroquinolone-Selective Molecularly Imprinted Polymers Using Dummy Templates
ZHAO Dong-yan;YANG Yue-xin;YE Jia-li;A molecularly imprinted polymer(MIP) with specific recognition ability for fluoroquinolones(FQs) was prepared using a dummy-template strategy and then fully characterized.Specifically, a dummy template comprising daidzein was employed to avoid the template leakage problem that commonly arises when real FQ templates are used.4-Vinylpyridine, ethylene glycol dimethacrylate, and azobisisobutyronitrile were selected as the functional monomer, crosslinker, and initiator, respectively.A binary porogenic system comprising dimethyl sulfoxide and acetonitrile was used.MIPs targeting ofloxacin(OFLX) and norfloxacin(NOR) in animal-derived foods were synthesized via bulk polymerization.The MIPs and corresponding non-imprinted polymers(NIPs) were characterized via Fourier transform infrared spectroscopy, scanning electron microscopy, and static adsorption experiments, with the latter being conducted at room temperature using an initial analyte concentration of 100 mg/L.The results revealed an MIP adsorption capacity of 35.92 mg/g for OFLX,which was significantly higher than that obtained for the NIP(11.23 mg/g).For NOR,the MIP exhibited an adsorption capacity of 40.21 mg/g, which was 3.83 times that of the NIP(10.51 mg/g).These results demonstrated the excellent imprinting effect and specific binding affinity of the prepared MIP toward the target FQs.Additionally, kinetic studies indicated a pseudo-second-order kinetic model for the adsorption process, suggesting that chemical interactions dominated the binding mechanism.The equilibrium adsorption data fit the Langmuir isotherm model well, implying homogeneous monolayer adsorption on the imprinted sites.To evaluate the MIP selectivity, its adsorption capacities toward two structural analogs, quinine and chloroquine, were measured.Considerably lower MIP adsorption amounts of 17.58 and 14.07 mg/g were recorded for quinine and chloroquine, respectively, confirming the high selectivity of the MIP for FQs over non-specific compounds.Moreover, reusability tests demonstrated that, after nine consecutive adsorption-desorption cycles, the MIP retained more than 89% of its original adsorption capacity, thereby indicating good stability and regeneration performance.In summary, the dummy-template MIP described herein has a simple preparation process, exhibited excellent recognition properties and adsorption performance toward FQs, and is highly suitable for use as a solid-phase extraction packing material for the pretreatment and enrichment of FQ residues in complex animal-derived food matrices.
Preparation of Air-Stable Li3.75Si@PVDF-HFP via Ball Milling and Application for the Prelithiation of SiO Anodes
YANG Jing-yu;ZHOU Xi-kai;RONG Jun-feng;Lithium-silicon alloys have attracted considerable attention for the prelithiation of anode applications because of their ultrahigh theoretical lithium compensation capacity(Li4.4Si can deliver up to 4200 mA·h/g) and low delithiation potential(approximately 0.4 V vs.Li+/Li).These unique electrochemical properties make lithium-silicon alloys highly promising candidates for improving the initial lithium loss and enhancing the energy density of silicon-based lithium-ion batteries.Nevertheless, conventional melt-based synthesis methods generally involve high energy consumption and complicated processing conditions.In addition, lithium-silicon alloys were extremely sensitive to air and polar solvents, which greatly restricts their practical handling, storage, electrode fabrication, and large-scale application.A Li3.75Si alloy was successfully synthesized by a high-energy ball-milling strategy.The introduction of a poly(vinylidene fluoride-co-hexafluoropropylene)(PVDF-HFP) protective layer shielded.This protective layer effectively prevented direct contact between the internal alloy phase and ambient air, thereby enabling stable storage, transfer, and processing of the lithium-silicon alloy under practical conditions.Based on this design, the air-stable functional material was coated onto the surface of a SiO anode by a doctor-blade coating method to construct a composite electrode architecture.The Li3.75Si embedded within the protective layer not only exhibited favorable ionic conductivity, but also acted as an internal lithium reservoir to realize effective prelithiation of the SiO anode, increasing the initial coulombic efficiency(ICE) of the half-cell to 69.3%.Moreover, the coating layer simultaneously provided interfacial protection and alleviated volume variation during repeated lithiation/delithiation processes.As a result, after 300 cycles at a 1 C rate, the capacity retention of the modified SiO anode reached 71.3%,which was significantly higher than the 5.7% retention observed for the pristine electrode.This study provides a feasible and scalable material design and processing strategy for the development of efficient, stable, and practical prelithiation technologies for next-generation silicon-based lithium-ion battery anodes.
Journal Information
Journal Name: Chemical Reagents
First Published: April 1979 • Monthly
Governed by: China Petroleum and Chemical Industry Federation
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China Association for Analysis and Testing
Sinopharm Chemical Reagents Co., Ltd.
Beijing Guohua Jingshi Consulting Co., Ltd.
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