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Nano Research 2024年第7期17卷 6342-6352页

作者： Xinyang Li Binbin Ding Jing Li Di Han Hao Chen Jia Tan Qi Meng Pan Zheng Ping’an Ma Jun Lin State Key laboratory of Rare Earth Resource Utilization Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China School of applied chemistry and Engineering University of Science and Technology of ChinaHefei 230026China

Chemodynamic therapy(CDT),an inventive approach to cancer treatment,exploits innate chemical processes to trigger cell death through the generation of reactive oxygen species(ROS).While offering advantages over conventional treatments,the optimization of CDT efficacy presents challenges stemming from suboptimal catalytic efficiency and the counteractive ROS scavenging effect of intracellular glutathione(GSH).In this study,we aim to address this dual challenge by delving into the role of copper valence states in *** the unique attributes of copper-based nanoparticles,especially zero-valent copper nanoparticles(CuPd NPs),we aim to enhance the therapeutic potential of *** experiments reveal that zero-valent CuPd NPs outperform divalent copper nanoparticles(Ox-CuPd NPs)by displaying superior catalytic performance and sustaining ROS generation through a dual approach integrating peroxidase-like(POD-like)activity and Cu+***,zero-valent NPs exhibit enhanced GSH depletion compared to their divalent counterparts,thereby intensifying CDT and inducing ferroptosis,ultimately resulting in high-efficiency tumor growth *** findings reveal the impact of valences on CDT,providing novel insights for the optimization and design of CDT agents.

关键词： CuPd nanoparticle ferroptosis chemodynamic therapy valance tailoring tumor therapy

Stereoselective recognition of morphine enantiomers by μ-opioid receptor

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National Science Review 2024年第3期11卷 183-191页

作者： Yibo Wang Van A.Ngo Xiaohui Wang laboratory of Chemical Biology Changchun Institute of Applied ChemistryChinese Academy of Sciences Advanced Computing for Life Sciences and Engineering Group Science Engagement Section National Center for Computational Sciences Oak Ridge National Lab School of applied chemistry and Engineering University of Science and Technology of China Beijing National laboratory for Molecular Sciences

Stereospecific recognition of chiral molecules plays a crucial role in biological systems. The μ-opioid receptor（MOR） exhibits binding affinity towards（-）-morphine, a well-established gold standard in pain management, while it shows minimal binding affinity for the（+）-morphine enantiomer, resulting in a lack of analgesic activity. Understanding how MOR stereoselectively recognizes morphine enantiomers has remained a puzzle in neuroscience and pharmacology for over half-a-century due to the lack of direct observation techniques. To unravel this mystery, we constructed the binding and unbinding processes of morphine enantiomers with MOR via molecular dynamics simulations to investigate the thermodynamics and kinetics governing MOR's stereoselective recognition of morphine enantiomers. Our findings reveal that the binding of（-）-morphine stabilizes MOR in its activated state, exhibiting a deep energy well and a prolonged residence time. In contrast,（+）-morphine fails to sustain the activation state of ***, the results suggest that specific residues, namely D1142.50and D1473.32, are deprotonated in the active state of MOR bound to（-）-morphine. This work highlights that the selectivity in molecular recognition goes beyond binding affinities, extending into the realm of residence time.

关键词： stereoselective recognition thermodynamics and kinetics residence time morphine enantiomers μ-opioid receptor

All-inorganic nitrate electrolyte for high-performance lithium oxygen battery

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Nano Research 2024年第5期17卷 4163-4170页

作者： Dongyue Yang Jiayi Du Kai Chen Haoran Zhang Gang Huang Tong Liu Xinbo Zhang Hongjie Zhang State Key laboratory of Rare Earth Resource Utilization Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China School of applied chemistry and Engineering University of Science and Technology of ChinaHefei 230026China

Lithium-oxygen(Li-O_(2))batteries have been regarded as an expectant successor for next-generation energy storage systems owing to their ultra-high theoretical energy ***,the comprehensive properties of the commonly utilized organic salt electrolyte are still unsatisfactory,not to mention their expensive prices,which seriously hinders the practical production and application of Li-O_(2) ***,we have proposed a low-cost all-inorganic nitrate electrolyte(LiNO_(3)-KNO_(3)-DMSO)for Li-O_(2) *** inorganic nitrate electrolyte exhibits higher ionic conductivity and a wider electrochemical stability window than the organic salt *** existence of K+can stabilize the O_(2)-intermediate,promoting the discharge process through the solution pathway with an enlarged *** at an ultra-low concentration of 0.01 M,the K+can still remain stable to promote the solution discharge process and also possess a new function of inhibiting the dendrite growth by electrostatic shielding,further enhancing the battery stability and contributing to the long cycle *** a result,in the 0.99 M LiNO_(3)-0.01 M KNO_(3)-DMSO electrolyte,the Li-O_(2) batteries exhibit prolonged cycling performance(108 cycles)and excellent rate performance(2 A·g^(-1)),significantly superior to the organic salt one.

关键词： Li-O_(2)batteries potassium ions inorganic nitrate electrolyte solution pathway mechanism

Preliminary discussion on the ignition mechanism of exploding foil initiators igniting boron potassium nitrate

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Defence Technology（防务技术） 2024年第2期32卷 222-231页

作者： Haotian Jian Guoqiang Zheng Lejian Chen Zheng Ning Guofu Yin Peng Zhu Ruiqi Shen School of chemistry and Chemical Engineering Nanjing University of Science and TechnologyNanjing 210094China Micro-Nano Energetic Devices Key laboratory of MIIT Nanjing University of Science and TechnologyNanjing 210094China Anhui Province Key laboratory of Microsystem the 43rd Research Institute of CETCHefei 230088China Science and Technology on applied Physical and chemistry laboratory Shanxi Applied Physics and Chemistry Research Institute Xi'an 710061China

Exploding foil initiator(EFI)is a kind of advanced device for initiating explosives,but its function is unstable when it comes to directly igniting *** solve the problem,this research aims to reveal the ignition mechanism of EFIs directly igniting *** oscilloscope,a photon Doppler velocimetry,and a plasma spectrum measurement system were employed to obtain information of electric characteristics,impact pressure,and plasma *** results of the electric characteristics and the impact pressure were inconsistent with ignition *** only thing that the ignition success tests had in common was that their plasma all had a relatively long period of high-temperature duration(HTD).It eventually concludes that the ignition mechanism in this research is the microconvection heat transfer rather than the shock initiation,which differs from that of exploding foil initiators detonating ***,the methods for evaluating the ignition success of semiconductor bridge initiators are not entirely applicable to the tests mentioned in this *** HTD is the critical parameter for judging the ignition success,and it is influenced by two factors:the late time discharge and the energy of the electric *** longer time of the late time discharge and the more energy of the electric explosion,the easier it is to expand the HTD,which improves the probability of the ignition success.

关键词： Exploding foil initiator PDV Plasma spectrum Ignition mechanism Boron potassium nitrate

Exploring the potential of constructing a hybrid supercapacitor with FeCoNi-LDH porous material containing oxygen vacancies for high-performance energy storage applications

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Nano Research 2024年第9期17卷 8134-8144页

作者： Jihao Su Ling Yang Dengbin Yu Shaojun Dong State Key laboratory of Electroanalytical chemistry Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China College of chemistry Jilin UniversityChangchun 130022China University of Science and Technology of China Hefei 230026China

A significant challenge in developing high-performance hybrid supercapacitors(HSCs)is the need to reasonably construct advanced architectures that consist of various components and exhibit superior electrochemical capacitance *** FeCoNi-layered double hydroxide(FeCoNi-LDH)porous material has a specific capacitance of 1960 F·g^(-1)when used as the anode material at 1 A·g^(-1).The FeCoNi-LDH material exhibits nanoplates with a distinct spindle morphology on their *** to the combined action of the three metals and abundant oxygen vacancies,they exhibit unique rate performance and cycle *** electronic structure of LDH and the regulation of oxygen vacancy were confirmed by density functional theory(DFT)*** suggests that the strength of hydroxide can reduce the energy required for oxygen vacancy formation in FeCoNi-LDH nanosheets and enhance ion and charge transfer,as well as electrolyte adsorption on the electrode *** FeCoNi-LDH//activated carbon(AC)HSC has an energy density of 53.2 Wh·kg^(-1)at a power density of 800 W·kg^(-1),surpassing other devices composed of comparable materials during the same *** study made significant advances in the design and synthesis of a ternary LDH porous structure with distinct oxygen vacancies,as well as its potential application in electrochemical energy storage.

关键词： oxygen vacancy FeCoNi-layered double hydroxide(FeCoNi-LDH) theory calculation electrode material hybrid supercapacitor

Facile Synthesis of Polyisothioureas via Alternating Copolymerization of Aziridines and Isothiocayanates

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Chinese Journal of Polymer Science 2024年第3期42卷 292-298,I0005页

作者： Hao-Tian Zhang Ming-Xin Niu Qi Zhang Chen-Yang Hu Xuan Pang Key laboratory of Polymer Ecomaterials Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China Department of Materials Science and Engineering Jilin UniversityChangchun 130025China School of applied chemistry and Engineering University of Science and Technology of ChinaHefei 230026China

Isothiourea is an important class of sulfur-containing molecules showing unique catalytic and biological activities. As such,polyisothiourea is envisioned to be an interesting type of polymer that potentially exhibits a number of interesting properties. However, there is no access to synthesizing well-defined polyisothiourea, and currently isothiourea-containing polymers are mainly prepared by immobilizing onto other polymer's side chain. Herein, we report the first facile synthesis of polyisothioureas via alternating copolymerization of aziridines and isothiocayanates. Mediated by the catalytic system of phosphazene superbases/alcohol, a broad scope of aziridines and isothiocayanates could be transformed into polyisothioureas with adjustable substitutions(11 examples). The structures of obtained polyisothioureas were fully characterized with ^(1)H-NMR, ^(13)C-NMR, and ^(1)H-^(13)C HMBC NMR. Moreover, the polyisothioureas show tunable thermal properties depending on substitutions on the isothiourea linkages. The novel structure of these polyisothioureas will enable a powerful platform for the discovery of nextgeneration functional plastics.

关键词： Polyisothioureas Alternative copolymer Aziridines Isothiocayanates

Emerging perovskite materials for supercapacitors:Structure,synthesis,modification,advanced characterization,theoretical calculation and electrochemical performance

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Journal of Energy chemistry 2024年第2期89卷 41-70,I0003页

作者： Yuehua Qian Qingqing Ruan Mengda Xue Lingyun Chen Department of applied chemistry School of Chemistry and Chemical EngineeringChongqing UniversityChongqing 401331China

As a new generation electrode materials for energy storage,perovskites have attracted wide attention because of their unique crystal structure,reversible active sites,rich oxygen vacancies,and good *** this review,the design and engineering progress of perovskite materials for supercapacitors(SCs)in recent years is ***,the review will focus on four types of perovskites,perovskite oxides,halide perovskites,fluoride perovskites,and multi-perovskites,within the context of their intrinsic structure and corresponding electrochemical performance.A series of experimental variables,such as synthesis,crystal structure,and electrochemical reaction mechanism,will be carefully analyzed by combining various advanced characterization techniques and theoretical *** applications of these materials as electrodes are then featured for various ***,we look forward to the prospects and challenges of perovskite-type SCs electrodes,as well as the future research direction.

关键词： Perovskite Modification engineering Oxygen vacancy Theoretical calculation methodology Supercapacitor

High-efficiency Ce-modified ZSM-5 nanosheets for waste plastic upgrading

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Nano Research 2024年第6期17卷 5645-5650页

作者： Xiaomei Wang Xueting Wu Meng Zhao Rui Zhang Zijian Wang Yuou Li Liangliang Zhang Xiao Wang Shuyan Song Hongjie Zhang State Key laboratory of Rare Earth Resource Utilization Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China School of applied chemistry and Engineering University of Science and Technology of ChinaHefei 230026China Department of chemistry Tsinghua UniversityBeijing 100084China

Zeolite-based catalyst hydrocracking of plastics is a potential strategy for mitigating the environmental impacts of plastic wastes and recycling valuable resources,but difficult mass transfer,low concentration of acid sites,and high cost are still barriers to their practical *** this paper,we report an excellent hydrocracking catalyst of ZSM-5 nanosheets(Ce/b-ZSM-5)modified by Ce species with high conversion up to 96.3%,C_(3)−C_(5)selectivity up to 80.9%,and good stability during the hydrogenation of low-density *** comprehensive studies,b-ZSM-5 shows higher molecular diffusion efficiency and acid site concentrations compared with normal ZSM-5(n-ZSM-5)and hollow ZSM-5(h-ZSM-5).The introduction of Ce species into b-ZSM-5 further increases the density of Brønsted(B)and Lewis(L)acid sites as active sites,which enhances the adsorption of substrates and facilitates the formation of intermediates and desorption of *** a result,the hydrocracking activity of Ce/b-ZSM-5 is significantly improved.

关键词： rare earth zeolite plastic degradation catalytic hydrocracking morphology acidic site

S1-supported Pd@CeO_(2) quasi-core@shell materials as advanced catalysts for selective hydrogenation of furfural

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Chinese Chemical Letters 2024年第3期35卷 493-496页

作者： Xiang Chu Lingling Zhang Ke Wang Rui Zhang Xiao Wang Shuyan Song Hongjie Zhang State Key laboratory of Rare Earth Resource Utilization Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China School of applied chemistry and Engineering University of Science and Technology of ChinaHefei 230026China

Bare Pd metal nanoparticles invariably suffer from poor selectivity in furfural hydrogenation by forming flat configurations,with the aromatic ring of the substrate molecules parallel to the metal ***,we put forward a promising solution by using CeO_(2)as promoters to modify Pd nanoparticles for modulating the adsorption behaviors of furfural *** achieve the highly-desired ultra-small Pd@CeO_(2)core@shell nanostructure,a“constrained auto-redox”synthesis is developed,in which silicalite-1 supports play the key role of providing their surface as the landing place of PdO_(x)precursors for inhibiting the overgrowth and the *** the best of our knowledge,this is one of the smallest core@shell materials obtained from aqueous *** evaluated as catalysts,Pd@CeO_(2)/S-1 gives 98.9%conversion of furfural with 94.3%selectivity for furfural alcohol in 15 h,which is much better than that of Pd/S-1(88.6%conversion with 44.3%selectively).The DFT simulation reveals a strong interaction between the defects of CeO_(2)and the oxygen atom of the–CHO group in furfural molecules,which benefits the selective hydrogenation occurred in the–CHO group rather than the furan ring.

关键词： Core@shell Palladium Ceria Auto-redox synthesis Hydrogenation

Trimethylamine N-oxide generation process was influenced by the proportion and source of macronutrients in the diet

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Food Science and Human Wellness 2024年第2期13卷 649-658页

作者： Chengcheng Wang Xuefeng Duan Xiaoyue Li Jinyue Yang Changhu Xue Teruyoshi Yanagita Tiantian Zhang Yuming Wang College of Food Science and Engineering Ocean University of ChinaQingdao 266003China laboratory for Marine Drugs and Bioproducts Pilot National Laboratory for Marine Science and Technology(Qingdao)Qingdao 266237China laboratory of Nutrition biochemistry Department of Applied Biochemistry and Food ScienceSaga UniversitySaga 840-8502Japan

Trimethylamine N-oxide(TMAO)is a risk factor of various chronic diseases,which was produced by metabolism from precursors to trimethylamine(TMA)in gut and the oxidation from TMA in *** TMA generation was influenced by diet,mainly due to the rich TMAO precursors in ***,it was still unclear that the effects of different proportion and source of macronutrients in different dietary pattern on the production process of ***,the generation of TMA from precursors and TMAO from TMA was determined after single oral choline chloride and intraperitoneal injection TMA,respectively,in mice fed with carbohydrates,proteins and fats in different proportion and *** results suggested that the generation of TMAO was increased by low non-meat protein and high fat via enhancing the production of TMAO from TMA,and decreased by plant protein and refined sugar via reducing TMA production from precursors in gut and TMAO transformation from TMA in *** high fat and high sugar diets accelerating the development of atherosclerosis did not increase the production of TMAO,the risk factor for atherosclerosis,which indicated that the dietary compositions rather than the elevated TMAO level might be a more key risk factor for atherosclerosis.

关键词： Trimethylamine N-oxide(TMAO) Trimethylamine(TMA) Dietary composition Macronutrients Gut microbiota