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Chinese Chemical Letters 2025年第2期36卷 360-365页

作者： Yi Zhou Wei Zhang Rong Fu Jiaxin Dong Yuxuan Liu Zihang Song Han Han Kang Cai College of chemistry Nankai University department of chemistry Northwestern University department of chemistry The University of Hong Kong

Chiral coordination molecular cages/capsules with discrete nanoconfined chiral cavities demonstrate significant potential applications across various fields. In this study, we utilized Tr?ger's base as the building block to design and synthesize two pairs of enantiopure ligands. These ligands were then self-assembled with Pd(II) ions through chiral self-sorting coordination, resulting in the formation of two pairs of homochiral M2L4-type coordination molecular capsules. Notably, due to differences in the substitution positions on the Tr?ger's base, these two pairs of enantiomeric coordination molecular capsules exhibited distinct levels of cavity closures, cavity sizes, and host-guest recognition properties. This research offers valuable insights into the construction of novel chiral molecular capsules and the regulation of confined cavities.

关键词： Chirality Host-guest recognition Metal-organic capsule Self-sorting Tröger's base

Physarum polycephalum-inspired adaptive optimization design of artificial microtubular networks

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Science China chemistry 2025年

作者： Si-Min Zeng Di-Wei Zheng Ting Pan Xing-Lan Ding Yun Zhang Chi-Hui Yang Si-Xue Cheng Xian-Zheng Zhang Key Laboratory of biomedical Polymers of Ministry of Education&department of chemistry Wuhan University

Natural biological microtubular networks have undergone adaptive evolutionary selection and may offer viable solutions to design challenges in artificial microtubular networks. The plasmodium of the slime mold Physarum polycephalum(P. polycephalum) extends continuously to form a protoplasmic microtubular network structure, directly connecting food *** simulations revealed that the formation of this adaptive P. polycephalum microtubular network could be captured by a mathematical algorithm. Inspired by the P. polycephalum microtubular networks, we propose an adaptive optimization design method for artificial microtubular networks. Specifically, we utilized hydrogels with biodegradable and tissue-adhesive properties to replicate the P. polycephalum microtubular networks via photomask. In Rhodamine B diffusion and glucosecatalyzed reaction experiments, we found that the P. polycephalum microtubular networks exhibited significantly enhanced efficiency compared to vascular and artificial networks. Furthermore, we demonstrated the potential for uric acid(UA) degradation of the hydrogels with a real P. polycephalum microtubular network loaded with urate oxidase(UOx) in a rodent model of hyperuricemia. And this network achieved more than double the effect of the artificial network. This underscores the potential of natural microtubular networks to replace artificial microtubular networks.

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A mitochondria targeting Ir(Ⅲ)complex triggers ferroptosis and autophagy for cancer therapy:A case of aggregation enhanced PDT strategy for metal complexes

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Chinese Chemical Letters 2025年第1期36卷 374-380页

作者： Panpan Wang Hongbao Fang Mengmeng Wang Guandong Zhang Na Xu Yan Su Hongke Liu Zhi Su Jiangsu Collaborative Innovation Center of biomedical Functional Materials College of Chemistry and Materials ScienceNanjing Normal UniversityNanjing 210023China

Metal complexes hold significant promise in tumor diagnosis and ***,their potential applications in photodynamic therapy(PDT)are hindered by issues such as poor photostability,low yield of reactive oxygen species(ROS),and aggregation-induced ROS *** address these challenges,we present a molecular self-assembly strategy utilizing aggregation-induced emission(AIE)conjugates for metal *** a proof of concept,we synthesized a mitochondrial-targeting cyclometalated Ir(Ⅲ)photosensitizer *** approach significantly enhances the photodynamic effect while mitigating the dark toxicity associated with AIE ***-TPE readily self-assembles into nanoaggregates in aqueous solution,leading to a significant production of ROS upon light *** Ir-TPE triggers multiple modes of death by excessively accumulating ROS in the mitochondria,resulting in mitochondrial DNA *** damage can lead to ferroptosis and autophagy,two forms of cell death that are highly cytotoxic to cancer *** aggregation-enhanced photodynamic effect of Ir-TPE significantly enhances the production of ROS,leading to a more pronounced cytotoxic *** vitro and in vivo experiments demonstrate this aggregation-enhanced PDT approach achieves effective in situ tumor *** study not only addresses the limitations of metal complexes in terms of low ROS production due to aggregation but also highlights the potential of this strategy for enhancing ROS production in PDT.

关键词： Metal complex AIEgens Mitochondria targeting Enhanced photodynamic therapy Anticancer agent

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The transformation of nor-seco-cucurbit[10]uril to cucurbit[5]uril and cucurbit[8]uril controlled by its own concentration

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Chinese Chemical Letters 2025年第2期36卷 373-377页

作者： Shaojie Deng Peihua Ma Qinghong Bai Xin Xiao Key Laboratory of Macrocyclic and Supramolecular chemistry of Guizhou Province Department of Chemistry Guizhou University

Nor-seco-cucurbit[10]uril(ns-CB[10]) is a kinetic product with unique structure. The single bridged methylene in its structure makes the molecular cavity of ns-CB[10] more deformable when compared to ordinary cucurbit[n]uril, reducing its structural stability. Repeated experiments showed that ns-CB[10] gradually cracks in an acidic solution and changes the specificity of cucurbit[5]uril(CB[5]) and cucurbit[8]uril(CB[8]) under more robust acidic solutions and when heated. A series of experiments were designed to study the transformation behavior of ns-CB[10]. It was found that the concentration of ns-CB[10] was correlated with the content distribution of CB[5] and CB[8]. This study explores the influencing factors and mechanisms of the transformation of ns-CB[10] to CB[5] and CB[8]. The results are of great significance for the application of ns-CB[10], understanding the formation mechanism of cucurbit[n]urils. Furthermore,it provides a new pathway for synthesizing new cucurbit[n]urils.

关键词： Concentration control Cracking Mechanism Nor-seco-cucurbituril Transformation

Medical Diagnosis Based on Multi-Attribute Group Decision-Making Using Extension Fuzzy Sets,Aggregation Operators and Basic Uncertainty Information Granule

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Computer Modeling in Engineering & Sciences 2025年第1期142卷 759-811页

作者： Anastasios Dounis Ioannis Palaiothodoros Anna Panagiotou department of biomedical Engineering Egaleo Park CampusUniversity of West AtticaAthens12243Greece

Accurate medical diagnosis,which involves identifying diseases based on patient symptoms,is often hindered by uncertainties in data interpretation and *** fuzzy set theories have emerged as effective tools to address these *** this paper,new mathematical approaches for handling uncertainty in medical diagnosis are introduced using q-rung orthopair fuzzy sets(q-ROFS)and interval-valued q-rung orthopair fuzzy sets(IVq-ROFS).Three aggregation operators are proposed in our methodologies:the q-ROF weighted averaging(q-ROFWA),the q-ROF weighted geometric(q-ROFWG),and the q-ROF weighted neutrality averaging(qROFWNA),which enhance decision-making under *** operators are paired with ranking methods such as the similarity measure,score function,and inverse score function to improve the accuracy of disease ***,the impact of varying q-rung values is explored through a sensitivity analysis,extending the analysis beyond the typical maximum value of *** Basic Uncertain Information(BUI)method is employed to simulate expert opinions,and aggregation operators are used to combine these opinions in a group decisionmaking *** results provide a comprehensive comparison of methodologies,highlighting their strengths and limitations in diagnosing diseases based on uncertain patient data.

关键词： Medical diagnosis multi-attribute group decision-making(MAGDM) q-ROFS IVq-ROFS BUI aggregation operators similarity measures inverse score function

Enantioselective copper-catalyzed dearomative borylative cyclization of indoles and mechanistic insights

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Science China chemistry 2025年第2期68卷 670-678页

作者： Yanfei Li Xuetao Li Zheng Zhang Yiliang Zhang Xiuping Yuan Jianjun Yin Simin Wang Wei Guan Qian Zhang Tao Xiong Jilin Province Key Laboratory of Organic Functional Molecular Design&Synthesis Department of ChemistryNortheast Normal UniversityChangchun 130024China Institute of Functional Material chemistry Department of ChemistryNortheast Normal UniversityChangchun 130024China State Key Laboratory of Organometallic chemistry Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 200032China School of chemistry and Chemical Engineering Harbin Normal UniversityHarbin 150025China

Alicyclic nitrogen heterocycles,such as enantioenriched polycyclic fused[1,2-a]indoline derivatives,are widespread in natural products,agrochemicals and pharmaceutical *** methods predominantly rely on the recent emerging Heck-type catalytic asymmetric dearomatization(CADA)protocol,wherein noble palladium catalysts commonly necessitate the form arylPd species-triggered these *** contrast,a more sustainable base metal catalysis paradigm through alkyl metal species disrupting the aromaticity,that is,the utilization of challenging asymmetric Csp3–Csp3 bond formation entry to such important chiral densely functionalized polycyclic molecular scaffolds,remains an elusive ***,we report the first copper-catalyzed dearomative borylative cyclization of indoles under mild reaction conditions,affording an array of valuable Bpin-containing pyrrolo-fused[1,2-a]indolines bearing four consecutive stereogenic centers with excellent enantioand *** synthetic potential was documented via an array of useful *** functional theory(DFT)calculation studies elucidated the origin of the chemo-,regio-,enantio-and diastereoselectivities of this conversion.

关键词： copper catalysis dearomatization borylative cyclization indoles DFT calculations

Piling up multidecker pyrgos[n]cages as antibacterial materials

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Science China Materials 2025年第1期68卷 314-316页

作者： Miguel A.Liuzzi-Vaamonde Jackson B.Lancaster Samantha A.Mason Yuanning Feng department of chemistry and Biochemistry The University of OklahomaOklahoma 73019United States

The development of antibiotics is regarded as one of the most significant scientific advances in modern medicine. Before the commercialization of antibiotics, infectious diseases were catastrophic throughout history [1]. Penicillin was used to treat serious infections in the 1940s, but unfortunately, with the introduction of antibiotics came the emergence of antibiotic resistance [2,3]. Evolved and adapted methicillin-resistant Staphylococcus aureus (MRSA) strains are presently impacting community and healthcare systems across the globe [4].

关键词： diseases adapted antibiotics

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Phenyl-extended resorcin[4]arene opens up a new avenue for highly efficient iodine adsorption

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Science China chemistry 2025年第2期68卷 405-406页

作者： Jingyu Chen Jiong Zhou department of chemistry College of SciencesNortheastern UniversityShenyang 110819China

Macrocyclic arenes have become an important tool in supramolecular chemistry due to their special structure,easy functionalization and prominent host–guest *** design and synthesis of macrocyclic arenes with novel structures and excellent performances have been the focus of research in the field of supramolecular chemistry,including calixarenes,pillararenes,biphenarenes,and hybridarenes[1].These macrocyclic arenes have demonstrated significant potential and value in diverse research fields,such as crystal engineering,adsorption and separation,sensing and detection,as well as drug delivery[2].

关键词： properties adsorption iodine

Artificial Circulation System Algorithm:A Novel Bio-Inspired Algorithm

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Computer Modeling in Engineering & Sciences 2025年第1期142卷 635-663页

作者： NerminÖzcan Semih Utku Tolga Berber department of biomedical Technologies Dokuz Eylül UniversityIzmir35390Turkey department of biomedical Engineering Iskenderun Technical UniversityIskenderun31200Turkey department of Computer Engineering Dokuz Eylül UniversityIzmir35390Turkey department of Statistics and Computer Sciences Karadeniz Technical UniversityTrabzon61080Turkey

Metaheuristics are commonly used in various fields,including real-life problem-solving and engineering appli*** present work introduces a novel metaheuristic algorithm named the Artificial Circulatory System Algorithm(ACSA).The control of the circulatory system inspires it and mimics the behavior of hormonal and neural regulators involved in this *** work initially evaluates the effectiveness of the suggested approach on 16 two-dimensional test functions,identified as classical benchmark *** method was subsequently examined by application to 12 CEC 2022 benchmark problems of different ***,the paper evaluates ACSA in comparison to 64 metaheuristic methods that are derived from different approaches,including evolutionary,human,physics,and ***,a sequence of statistical tests was undertaken to examine the superiority of the suggested algorithm in comparison to the 7 most widely used algorithms in the existing *** results show that the ACSA strategy can quickly reach the global optimum,avoid getting trapped in local optima,and effectively maintain a balance between exploration and *** outperformed 42 algorithms statistically,according to post-hoc *** also outperformed 9 algorithms *** study concludes that ACSA offers competitive solutions in comparison to popüler methods.

关键词： Bio-inspired evolutionary heuristic metaheuristic optimization

ZIF-90-loaded DNAzyme-responsive PROTAC for the self-powered degradation of NF-κB

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Science China chemistry 2025年第2期68卷 687-693页

作者： Min Hou Liang Sun Tianyu Ren Mingda Li Chao Hu Rong Liu Shuang Gu Mingyan Jiang Jian-Hui Jiang Jianjun He College of Physics and chemistry Hunan First Normal UniversityChangsha 410205China Hunan Provincial Key Laboratory of Animal Models and Molecular Medicine College of Biomedical SciencesCollege of Chemistry and Chemical EngineeringHunan UniversityChangsha 410082China Xiangtan Central Hospital Xiangtan 411199China

Transcription factors(TFs)play vital roles in regulating gene *** or mutated TFs are implicated in a wide array of diseases,highlighting their potential as drug ***,TFs are considered undruggable by conventional inhibitor-based *** recently emerged proteolysis targeting chimeras(PROTACs)have exhibited great potential in tackling *** particular,DNA-ligand chimeras that arm E3 ligase-recruiting ligands to TF-binding double-strand DNA represent a promising strategy for the targeted proteolysis of ***,we report a DNAzyme-inducible PROTAC(DzTAC)that selectively degrades NF-κB in a zinc ion-dependent *** further applied zinc-imidazolate metal–organic framework90(ZIF-90)to encapsulate DzTAC(ZIF-90@DzTAC),facilitating its delivery into cancer cells while self-supplying Zn2+via adenosine triphosphate(ATP)-triggered ZIF-90 ***,ZIF-90@DzTAC can enhance the treatment efficacy of doxorubicin-based chemotherapy in tumor-bearing *** developed DzTAC provides specific modulation over TF activity and opens an avenue for more functional nucleic acid-based control over targeted protein degradation.

关键词： inducible proteolysis DNAzyme transcription factor ZIF-90 NF-κB