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Tailored design of novel Co0-Coδ+dual phase nanoparticles for selective CO2 hydrogenation to ethanol

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Journal of Environmental Sciences 2025年第3期149卷 598-615页

作者： Subhasis Das Ganapati D.Yadav department of chemical Engineering Institute of Chemical TechnologyNathalal Parekh MargMatunga 400019MumbaiIndia

Catalytic hydrogenation of CO_(2)to ethanol is a promising solution to address the greenhouse gas(GHG)emissions,but many current catalysts face efficiency and cost *** based catalysts are frequently examined due to their abundance,cost-efficiency,and effectiveness in the reaction,where managing the Co^(0)to Co^(δ+)ratio is *** this study,we adjusted support nature(Al_(2)O_(3),MgO-MgAl_(2)O_(4),and MgO)and reduction conditions to optimize this balance of Co^(0)to Co^(δ+)sites on the catalyst surface,enhancing ethanol *** selectivity of ethanol reached 17.9%in a continuous flow fixed bed micro-reactor over 20 mol%Co@MgO-MgAl_(2)O_(4)(CoMgAl)catalyst at 270°C and 3.0 MPa,when reduced at 400°C for 8 *** results coupled with activity analysis confirmed that mild reduction condition(400°C,10%H_(2)balance N_(2),8 h)with intermediate metal support interaction favoured the generation of partially reduced Co sites(Co^(δ+)and Co^(0)sites in single atom)over MgO-MgAl_(2)O_(4)surface,which promoted ethanol synthesis by coupling of dissociative(CHx^(∗))/non-dissociative(CHxO^(∗))intermediates,as confirmed by density functional theory ***,the CoMgAl,affordably prepared through the coprecipitation method,offers a potential alternative for CO_(2)hydrogenation to yield valuable chemicals.

关键词： CO_(2)hydrogenation Ethanol Co-based catalysts Metal support ineraction DFT analysis

I_(2)-DMSO mediated tetra-functionalization of enaminones for the construction of novel furo[2,3:4,5]pyrimido[1,2-b]indazole skeletons via in situ capture of ketenimine cations

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Chinese chemical Letters 2025年第1期36卷 277-282页

作者： You Zhou Li-Sheng Wang Shuang-Gui Lei Bo-Cheng Tang Zhi-Cheng Yu Xing Li Yan-Dong Wu Kai-Lu Zheng An-Xin Wu National Key Laboratory of Green Pesticide International Joint Research Center for Intelligent Biosensor Technology and HealthCollege of ChemistryCentral China Normal UniversityWuhan 430079China Guangdong Provincial Key Laboratory of Research and Development of Natural Drugs The First Dongguan Affiliated HospitalSchool of PharmacyGuangdong Medical UniversityDongguan 523808China State Key Laboratory of chemical biology and Drug Discovery Department of Applied Biology and Chemical TechnologyThe Hong Kong Polytechnic UniversityHong Kong SAR 999077China

The first-ever synthesis of the unknown furo[2,3:4,5]pyrimido[1,2-b]indazole skeleton was demonstrated based on the undiscovered tetra-functionalization of enaminones,with simple substrates and reaction *** key to realizing this process lies in the multiple trapping of the in situ generated ketenimine cation by the 3-aminoindazole,which results in the formation of four new chemical bonds and two new rings in one ***,the products of this new reaction were found to exhibit aggregationinduced emission(AIE)without modification.

关键词： Unknown skeleton Tetra-functionalization Ketenimine cations Aggregation-induced emission

Effects of bidirectional interaction on inelastic seismic response:When is its effect significant?

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Earthquake Engineering and Engineering Vibration 2025年第1期24卷 113-134页

作者： Atanu Santra Rana Roy department of Aerospace Engineering and applied Mechanics Indian Institute of Engineering Science and TechnologyShibpur 711103India

Motivated by the early works on bidirectional interaction and the breakthrough to estimate seismic response to bidirectional shaking via unidirectional analysis,it is essential to answer the question:When is the interaction effect significant?Early works concluded that the effect of interaction is pronounced for stiff systems;consequently,the straightforward method for estimating seismic response to bidirectional excitation by using unidirectional analyses is verified primarily for short period ***,it is essential to identify the domain of significance for bidirectional interaction before adopting this simple methodology in *** parametrically defined systems with elastoplastic and degrading hysteresis models are studied under near-fault motions,assuming strength-independent and strength-dependent *** force-based and displacement-based analyses,conducted in parallel,reveal that the interaction effect is considerable for stiff systems,especially with degrading characteristics in a relatively low inelasticity ***,the bidirectional effect may be significant even for highly flexible systems,especially for residual deformation,which in earlier works was *** range of significance depends on the hysteresis model,system parameters,and response *** analysis is carried out with the results of the case studies,and the derived regression models may be used for a preliminary assessment of the impact of interaction in advance.

关键词： bidirectional residual forward-directive fling force-based displacement-based regression

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Modular miniaturized synthesis and in situ biological evaluation facilitate rapid discovery of potent Mra Y inhibitors as antibacterial agents

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Chinese chemical Letters 2025年第2期36卷 29-31页

作者： Mianling Yang Meehyein Kim Peng Zhan department of Medicinal Chemistry Key Laboratory of Chemical Biology Ministry of Education School of Pharmaceutical SciencesShandong University Infectious Diseases Therapeutic Research Center Korea Research Institute of Chemical Technology (KRICT)

Despite the availability of effective antibacterial drugs, the increasing prevalence of antibiotic-resistant bacteria is primarily attributed to their excessive and inappropriate utilization. Antimicrobial resistance (AMR) represents one of the most concerning global health and development threats [1]. Thereby, the continuous escalation in AMR necessitates urgent advancements in novel antibacterial strategies. The MraY enzyme, which plays a pivotal role in synthesizing bacterial cell wall-composing polysaccharides, holds significant potential as a target for antibacterial agents [2]. However, its conformational dynamics have presented substantial challenges in developing MraY-targeting inhibitors.

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Selenate-based heterojunction with cobalt-nickel paired site for electrocatalytic oxidation of 5-hydroxymethylfurfural coupling water splitting to produce hydrogen

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Journal of Energy Chemistry 2025年第2期101卷 156-162页

作者： Zhengru Yang Jia Hui Wangxi Fan Pengcheng Liu Chunyong Zhang Shuang Dong Zhou Yang department of Chemistry and chemical Engineering & Jiangsu Key Laboratory of Clean Energy Storage and Conversion Jiangsu University of Technology Engineering technology and Materials Research Center China Academy of Transportation Sciences School of chemical Engineering and Materials Changzhou Institute of Technology

It is very appealing that 5-hydroxymethylfurfural（HMF） is electrocatalytical oxidized as 2,5-furandicarboxylic acid（FDCA） linking to non-classical cathodic hydrogen（H2） ***,the electrocatalysts for electrocatalytic HMF oxidative reaction（e-HMFOR） have been facing low Faradaic efficiency（FE） and high water splitting ***,we propose a strategy of the NiSeO3@（CoSeO3）4heterojunction by constructing a Co-Ni paired site,where the Co site is in charge of adsorbing for HMF while the electrons are transferred to the Ni site,thus giving the NiSeO3@（CoSeO3）4heterojunction superior electrocata lytic performances for e-HMFOR and water *** optimizing conditions,the NiSeO3@（CoSeO3）4heterojunction has high conversion of 99.7%,high selectivity of 99.9%,and high FE of 98.4% at 1.3 V,as well as low cell voltage of 1.31 V at 10 mA cm-2in 1 M KOH+0.1 M *** study offers a potential insight for e-HMFOR to high value-added FDCA coupling water splitting to produce H2in an economical manner.

关键词： Co-Ni paired site e-HMFOR FDCA Heterojunction Hydrogen evolution

Uncovering fantastic synergistic lithium adsorption with manganese-titanium based composite nanospheres:Mild synthesis and molecular dynamics simulation insights

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Journal of Energy Chemistry 2025年第2期101卷 52-67页

作者： Yameng Wang Zi-Yu Liu Yubei Su Yu Liu Aoqun Liu Xiaoye Zhang Yugang Huang Liyun Zhang Haisheng Chen Wancheng Zhu department of chemical Engineering Qufu Normal University Institute of Engineering Thermophysics Chinese Academy of Sciences State Key Laboratory of Organic-Inorganic Composites Beijing University of Chemical Technology

In light of the burgeoning energy technology sector and the ever-growing demand for lithium across diverse industrial domains,conventional lithium extraction methods have been proven inadequate due to their limited production capacity and high operational *** work introduces a novel approach to the manganese-titanium based composite HMTO（Mn:Ti=1:4） lithium ion-sieve（LIS） nanospheres,employing lithium acetate dihydrate,manganese carbonate and titanium dioxide P25 as the primary *** nanospheres exhibit relatively uniform spherical morphology,narrow size distribution,small average particle size（ca.55 nm）,large specific surface area(43.58 m2g-1) and high surface O2-content（59.01%）.When utilized as the adsorbents for Li+ions,the HMTO（Mn:Ti=1:4） LIS demonstrates a fast adsorption rate,approaching equilibrium within 6.0 h with an equilibrium adsorption capacity（qe）of 79.5 mg g-1and a maximum adsorption capacity（qm） of 87.26 mg g-1(initial concentration CO:1.8 g L-1).In addition,the HMTO（Mn:Ti=1:4） also delivers a high lithium extraction from the simulated high magnesium-lithium molar ratio salt lake brine（Mg:Li=103）,achieving a qeof 33.85 mg g-1along with a remarkable selectivity(αMgLi=2192.76).Particularly,the HMTO（Mn:Ti=1:4） LIS showcases a satisfactory recycling adsorption *** adsorption capacity remains at a high level,even that determined after the 5th cycle(55.45 mg g-1) surpasses that of the most recently reported ***,the fantastic synergistic lithium adsorption mechanism is deliberately uncovered by leveraging the ion exchange principles and molecular dynamics（MD） simulations.

关键词： Adsorption performance Ion exchange Lithium ion-sieves Manganese titanium composite Salt lake brine lithium extraction

Development of ESIPT-based specific fluorescent probes for bioactive species based on the protection-deprotection of the hydroxyl

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Chinese chemical Letters 2025年第2期36卷 49-56页

作者： Haixian Ren Yuting Du Xiaojing Yang Fangjun Huo Le Zhang Caixia Yin department of Chemistry Xinzhou Normal University Research Institute of applied Chemistry Shanxi University department of Chemistry The University of Texas at Austin Key Laboratory of chemical biology and Molecular Engineering of Ministry of Education Key Laboratory of Materials for Energy Conversion and Storage of Shanxi Province Institute of Molecular ScienceShanxi University

Excited-state intramolecular proton-transfer (ESIPT) based fluorescence probes are particularly attractive due to their unique properties including environmental sensitivity, a large Stokes shift, and potential for ratiometric sensing. In general, ESIPT-based fluorophore incorporates an intramolecular hydrogen bonding interaction between a hydrogen bond donor (–OH and NH2are common) and a hydrogen bond acceptor(C=N and C=O). More, protection–deprotection of hydroxyl group as hydrogen bond donor could induce an off-on switch of ESIPT-based emission. Therefore, protection–deprotection of hydroxyl group has been the widely used strategy to design fluorescent probes, where the potential key issue is selecting a protective group that can specifically leave in the presence of the target analyte. In this review, we mainly summarize the specific protecting groups (sites) and deprotection mechanisms for biologically important species (including reactive sulfur species (RSS), reactive oxygen species (ROS), enzymes, etc.), and analyze the advantages and disadvantages of different protection mechanisms from some aspects including probe stability, selectivity, response rate and assay system, etc. Based on the aforementioned, we further point out the current challenges and the potential future direction for developing ESIPT-based probes.

关键词： Bioimaging ESIPT Fluorescence probe Protection-deprotection Specificity

Atomically precise M-N-C electrocatalysts for oxygen reduction:Effects of inter-site distance,metal-metal interaction,coordination environment,and spin states

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Journal of Energy Chemistry 2025年第2期101卷 132-155页

作者： Junfeng Huang Saira Ajmal Anuj Kumar Jianwen Guo Mohammed Mujahid Alam Abdullah G.Al-Sehemi Ghulam Yasin School of Mechanical Engineering Dongguan University of Technology Nano-technology Research Laboratory Department of Chemistry GLA University department of Chemistry College of Science King Khalid University School of Environmental Science and Engineering Tianjin University State Key Laboratory of chemical Resource Engineering College of Materials Science and Engineering Beijing University of Chemical Technology

Inspired by molecular catalysts,researchers developed atomically precise nitrogen-coordinated single or dual metal sites imbedded in graphitized carbon（M-N-C） to fully utilize metallic sites for *** catalysts performed remarkably well in the electrocatalytic oxygen reduction reaction（ORR） due to their distinct coordination and electrical structures,Nonetheless,their maximum efficacy in practical applications has yet to be *** agenda identifies tailoring the coordination environment,spin states,intersite distance,and metal-metal interaction as innovative approaches to regulate the ORR performance of these ***,it is necessary to undertake a precise assessment of these methodologies and the knowledge obtained to be implemented in the design of future M-N-C catalysts for ***,this review aims to analyze recent progress in M-N-C ORR catalysts,emphasizing their innovative engineering with aspects such as alteration in intersite distance,metal-metal interaction,coordination environment,and spin ***,we critically discuss how to logically monitor the atomic structure,local coordination,spin,and electronic states of M-N-C catalysts to modulate their ORR *** have also highlighted the challenges associated with M-N-C catalysts and proposed suggestions for their future design and fabrication.

关键词： Activity descriptors Electrocatalysis M-N-C electrocatalysts ORR Spin states

A review of over-discharge protection through prelithiation in working lithium-ion batteries

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Journal of Energy Chemistry 2025年第2期101卷 437-452页

作者： Hanchen Wang Yingtian Liu Mingze Jiang Qiang Zhang School of Aerospace Engineering National Engineering Research Center of Neuromodulation Tsinghua University Tsinghua Center for Green chemical Engineering Electrification Department of Chemical Engineering Beijing Key Laboratory of Green Chemical Reaction Engineering and Technology Tsinghua University

The demand for high safety and high reliability lithium-ion batteries(LIBs) is strongly considered for practical ***,due to their inherent self-discharge properties or abuse,LIBs face the threat of over-discharge,which induces premature end of life and increased risk of thermal *** addition,a strong demand for batteries with zero-volt storage is strongly considered for aerospace and implantable medical *** this review,we firstly introduce the necessity and the importance of over-discharge and zero-volt protection for *** mechanism of damage to the Cu current collectors and SEI induced by potential changes during over-discharge is *** current over-discharge protection strategies based on whether the zero-crossing potential of the electrodes is ***,the fresh insights into the material design of cathode prelithiation additives are presented from the perspective of over-discharge protection.

关键词： Electrode potential regulation Electrode prelithiation Li-ion batteries Over-discharge protection Zero-volt storage