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Regulating the electronic structure of Ir single atoms by ZrO_(2)nanoparticles for enh.nced catalytic oxidation of formaldehyde at room temperature

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Ch.nese Chemical Letters 2024年第7期35卷 200-205页

作者： Shiqi peng yongfang Rao Tan Li yufei Zh.ng Jun-ji Cao Sh.nch.ng Lee yu huang Key Laboratory of Aerosol Chemistry&Physics State Key Laboratory of Loess and Quaternary Geology(SKLLQG)Institute of Earth EnvironmentChinese Academy of Sciences(CAS)Xi’an 710061China School of human Settlements and Civil Engineering Xi’an Jiaotong UniversityXi’an 710049China Department of Environmental Science and Engineering Xi’an Jiaotong UniversityXi’an 710049China Faculty of Chemical Engineering Kunming University of Science and TechnologyKunming 650500China School of Environment and Energy South China University of TechnologyGuangzhou 51006China School of Environmental and Municipal Engineering Xi’an University of Architecture and TechnologyXi’an 710055China Institute of Atmospheric Physics Chinese Academy of SciencesBeijing 100190China Department of Civil and Environmental Engineering The Hong Kong Polytechnic UniversityHong KongChina CAS Center for Excellence in Quaternary Science and Global Ch.nge Xi’an 710061China

Developing low-loading single-atom catalysts with superior catalytic activity and selectivity in formaldehyde(hChO)oxidation at room temperature remains ***,ZrO_(2)nanoparticles coupled low-loading Ir single atoms in n-doped carbon(Ir_(1)-n-C/ZrO_(2))was *** optimal Ir_(1)-n-C/ZrO_(2)with 0.25 wt%Ir loading delivers the high hChO removal and conversion efficiency(>95%)at 20℃,which is higher th.n that over Ir_(1)-n-C with the same Ir *** specific rate can reach 1285.6 mmol gIr^(-1)h^(-1),surpassing the Ir based catalysts reported to *** functional theory calculation results and electron spin resonance spectra indicate that the introduction of Zr O_(2)nanoparticles modulate the electronic structure of the Ir single atoms,promoting O_(2)activation to·O_(2)^(–).Moreover,the Ir-C-Zr ch.nnel is favorable for the dissociation of·O_(2)^(–)to active oxygen atom(*O),and further accelerates the transformation of hChO and intermediates(dioxymethylene and formates)to CO_(2)and h_(2)*** work provides a facile strategy to design low-loading single-atom catalysts with high catalytic activity toward hChO oxidation.

关键词： ZrO_(2)nanoparticles Ir single atoms Electronic structure Formaldehyde Catalytic oxidation

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Rattling-like behavior and band convergence induced ultra-low lattice thermal conductivity in MgAl_(2)Te_(4) monolayer

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Journal of Materiomics 2024年第5期10卷 1004-1016页

作者： Da Wan Shulin Bai Xiaodong Li Jingyi Zh.ng peng Ai Wanrong Guo Shuwei Tang College of Materials Science and Engineering Liaoning Technical UniversityFuxinLiaoning123000China Faculty of Chemistry Northeast Normal UniversityChangchunJilin130024China

Inspired by the excellent stability exhibited by experimentally synthesized two-dimensional(2D)MoSi_(2)n_(4) layered material,the thermal and electronic transport,and thermoelectric(TE)properties of MgAl2Te4 monolayer are systematically investigated using the First-principles calculations and Boltzmann transport *** mech.nical stability,dynamic stability,and thermal stability(900 K)of the MgAl_(2)Te_(4) monolayer are demonstrated,*** MgAl_(2)Te_(4) monolayer exhibits a bandgap of 1.35 eV using the hSE06 functional in combination with spin-orbit coupling(SOC)*** convergence in the valence band is favorable to improve the thermoelectric *** rattling thermal damping effect caused by the weak bonding of Mgsingle bondTe bonds in MgAl2Te4 monolayer leads to ultra-low lattice thermal conductivity(0.95/0.38 W/(m·K)@300 K along the x-/y-direction),which is further demonstrated by the ph.non group velocities,ph.non relaxation time,Grüneisen parameters,and scattering *** optimal zT of 3.28 at 900 K is achieved for the p-type MgAl_(2)Te_(4) monolayer,showing the great promising prospect for the excellent p-type thermoelectric *** current work not only reveals the underlying mech.nisms responsible for the excellent TE properties,but also elaborates on the promising thermoelectric application of MgAl_(2)Te_(4) monolayer material at high temperature.

关键词： Thermoelectric material Mg atomic rattling Band convergence Ultra-low lattice thermal conductivity

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The role of surface processes and mantle plumes in the formation of microcontinents: insights from numerical modeling and the Seychelles microcontinent case study

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Journal of Earth Science 2024年

作者： Zhijie Jia Pietro Sternai Jianbing peng School of Geological Engineering and Geomatics， Ch.ng'an University Department of Earth and Environmental Sciences， University of Milan-Bicocca chool of Geological Engineering and Geomatics， Ch.ng'an University

Mantle plumes and surface erosion and sediment deposition affect the modes of continental lithospheric rupturing in extensional tectonic settings， modulating the evolution of rifting margins. however， their relative contributions to the overall evolution of rifting margins and possible roles in the formation of microcontinent are still elusive. here， we use coupled geodynamic and surface processes numerical modeling to assess the extent to which surface processes may determine the formation of microcontinent during lithospheric stretch.ng in presence or absence of a mantle plume underneath. Our modeling results indicate that fast extension rates and hillslope (i.e.， diffusion) erosion promote ridge jump events and therefore the formation of microcontinents. On the contrary， efficient fluvial erosion and far-reach.ng sediment transport (i.e.， stream power erosion) inhibits ridge jump events and the formation of microcontinents. The ridge jump event and overall evolution in our numerical models is consistent with the shift from the Mascarene Ridge to the Carlsberg Ridge that determined the formation of the Seychelles microcontinent. We therefore speculate that hillslope erosion， rather th.n fluvial erosion， was predominant during the formation of the Seychelles， a possible indication of overall dry local climate conditions.

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not in Control,but Liable?Attributing human Responsibility for Fully Automated Vehicle Accidents

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Engineering 2024年第2期33卷 121-132页

作者： Siming Zhai Lin Wang peng Liu Center for Psychological Sciences Zhejiang UniversityHangzhou 310063China Department of Library and Information Science Incheon National UniversityIncheon 22012Republic of Korea

human agency has become increasingly limited in complex systems with increasingly automated decision-making *** instance,human occupants are passengers and do not have direct vehicle control in fully automated cars(i.e.,driverless cars).An interesting question is whether users are responsible for the accidents of these *** ethical and legal analyses frequently argue that individuals should not bear responsibility for harm beyond their ***,we consider human judgment of responsibility for accidents involving fully automated cars through three studies with seven experiments(n=2668).We compared the responsibility attributed to the occupants in three conditions:an owner in his private fully automated car,a passenger in a driverless robotaxi,and a passenger in a conventional taxi,where none of these three occupants have direct vehicle control over the involved vehicles that cause identical pedestrian *** contrast to normative analyses,we show that the occupants of driverless cars(private cars and robotaxis)are attributed more responsibility th.n conventional taxi *** dilemma is robust across different contexts(e.g.,participants from Ch.na vs the Republic of Korea,participants with first-vs third-person perspectives,and occupant presence vs absence).Furthermore,we observe that this is not due to the perception that these occupants have greater control over driving but because they are more expected to foresee the potential consequences of using driverless *** findings suggest that wh.n driverless vehicles(private cars and taxis)cause harm,their users may face more social pressure,which public discourse and legal regulations should manage appropriately.

关键词： Fully automated vehicle accidents Responsibility attribution Controllability Foreseeability

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Unfolding rates of 1:1 and 2:1 complex of CX-5461 and c-MyC promoter G-quadruplexes revealed by single-molecule force spectroscopy

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Biophysics Reports 2024年第3期10卷 180-189页

作者： hui peng yashuo Zh.ng Qun Luo Xinyu Wang huijuan you hubei Key Laboratory of natural Medicinal Chemistry and Resource Evaluation School of Pharmacy Tongji Medical College Huazhong University of Science and Technology College of Physics Science and Technology Yangzhou University

CX-5461, also known as pidnarulex, is a strong G4 stabilizer and has received FDA fast-track designation for BRCA1-and BRCA2-mutated cancers. however, quantitative measurements of the unfolding rates of CX-5461-G4 complexes which are important for the regulation function of G4s, remain ***, we employ single-molecule magnetic tweezers to measure the unfolding force distributions of c-MyC G4s in the presence of different concentrations of CX-5461. The unfolding force distributions exhibit three discrete levels of unfolding force peaks, corresponding to three binding modes. In combination with a fluorescent quench.ng assay and molecular docking to previously reported ligand-c-MyC G4 structure, we assigned the ～69 pn peak corresponding to the 1:1（ligand:G4） complex where CX-5461binds at the G4's 5'-end. The ～84 p n peak is attributed to the 2:1 complex where CX-5461 occupies both the 5' and 3'. Furthermore, using the Bell-Arrh.nius model to fit the unfolding force distributions,we determined the zero-force unfolding rates of 1:1, and 2:1 complexes to be（2.4 ± 0.9） × 10-8s-1and（1.4 ± 1.0） × 10-9s-1respectively. These findings provide valuable insights for the development of G4-targeted ligands to combat c-MyC-driven cancers.

关键词： Single-molecule G-quadruplex Magnetic tweezers Stoichiometry Force spectroscopy Pidnarulex

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2-APQC,a small-molecule activator of Sirtuin-3(SIRT3),alleviates myocardial hypertrophy and fibrosis by regulating mitoch.ndrial homeostasis

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Signal Transduction and Targeted Therapy 2024年第6期9卷 2748-2764页

作者： Fu peng Minru Liao Wenke Jin Wei Liu Zixiang Li Zhichao Fan Ling Zou Siwei Ch.n Lingjuan Zhu Qian Zhao Gu Zh.n Liang Ouyang Ch.ng peng Bo h.n Jin Zh.ng Leilei Fu West Ch.na School of Pharmacy and Department of Biotherapy Cancer Center and State Key Laboratory of BiotherapyWest China HospitalSichuan UniversityChengdu 610041China Sichuan Engineering Research Center for Biomimetic Synthesis of natural Drugs School of Life Science and EngineeringSouthwest Jiaotong UniversityChengdu 610031China State Key Laboratory of Southwestern Ch.nese Medicine Resources Hospital of Chengdu University of Traditional Chinese MedicineSchool of PharmacyChengdu University of Traditional Chinese MedicineChengdu 611137China School of Pharmaceutical Sciences Health Science CenterShenzhen UniversityShenzhen 518060China School of Traditional Ch.nese Materia Medica Key Laboratory of Structure-Based Drug Design&Discovery of Ministry of EducationShenyang Pharmaceutical UniversityShenyang 110016China

Sirtuin 3(SIRT3)is well known as a conserved nicotinamide adenine dinucleotide^(+)(nAD^(+))-dependent deacetylase located in the mitoch.ndria that may regulate oxidative stress,catabolism and ATP *** evidence has recently revealed that SIRT3 plays its critical roles in cardiac fibrosis,myocardial fibrosis and even heart failure(hF),through its deacetylation ***,discovery of SIRT3 activators and elucidating their underlying mech.nisms of hF should be urgently ***,we identified a new small-molecule activator of SIRT3(named 2-APQC)by the structure-based drug designing strategy.2-APQC was shown to alleviate isoproterenol(ISO)-induced cardiac hypertrophy and myocardial fibrosis in vitro and in vivo rat ***,in SIRT3 knockout mice,2-APQC could not relieve hF,suggesting that 2-APQC is dependent on SIRT3 for its protective ***,2-APQC was found to inhibit the mammalian target of rapamycin(mTOR)-p70 ribosomal protein S6 kinase(p70S6K),c-jun n-terminal kinase(JnK)and transforming growth factor-β(TGF-β)/small mother against decapentaplegic 3(Smad3)pathways to improve ISO-induced cardiac hypertrophy and myocardial *** upon RnA-seq analyses,we demonstrated that SIRT3-pyrroline-5-carboxylate reductase 1(PyCR1)axis was closely assoiated with *** activating PyCR1,2-APQC was shown to enh.nce mitoch.ndrial proline metabolism,inhibited reactive oxygen species(ROS)-p38 mitogen activated protein kinase(p38MAPK)pathway and thereby protecting against ISO-induced mitoch.ndrialoxidative ***,activation of SIRT3 by 2-APQC could facilitate AMP-activated protein kinase(AMPK)-Parkin axis to inhibit ISO-induced ***,our results demonstrate that 2-APQC is a targeted SIRT3 activator that alleviates myocardial hypertrophy and fibrosis by regulating mitoch.ndrial homeostasis,which may provide a new clue on exploiting a promising drug candidate for the future hF therapeutics.

关键词： SIRT3 homeostasis metabolism

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Origin of the near-room temperature resistance transition in lutetium with h2/n2 gas mixture under high pressure

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national Science Review 2024年第7期11卷 26-32页

作者： Di peng Qiaoshi Zeng Fujun Lan Zh.nfang Xing Zhidan Zeng Xiaoxing Ke yang Ding ho-kwang Mao Key Laboratory of Materials Physics Institute of Solid State Physics Hefei Institutes of Physical Science(HFIPS)Chinese Academy of Sciences Science Island Branch Graduate School of University of Science and Technology of China Center for high Pressure Science and Technology Advanced Research Sh.nghai Key Laboratory of Material Frontiers Research in Extreme Environments(MFree) Shanghai Advanced Research in Physical Sciences(SHARPS) State Key Laboratory of Superhard Materials Institute of PhysicsJilin University College of Materials Science&Engineering Beijing University of Technology

The recent report of room-temperature superconductivity at near-ambient pressure in nitrogen-doped lutetium hydride（Lu-h.n） by Dasenbrock-Gammon et al. [nature 615, 244–250（2023）] has attracted tremendous attention due to its anticipated great impact on technology. however, the results could not be independently reproduced by other groups worldwide in follow-up studies, which elicited intense controversy. here, we develop a reliable experimental protocol to minimize the extensively concerned extrinsic influences on the sample by starting the reaction from pure lutetium loaded with an h2/n2gas mixture in a diamond anvil cell under different pressures and temperatures and simultaneously monitoring the entire chemical reaction process using in situ four-probe resistance measurements. Therefore, we could repeatedly reproduce the near-room temperature upsurge of electrical resistance at a relatively early stage of the chemical reaction. however, the mech.nism is suggested to be a metal-to-semiconductor/insulator transition associated with the structural modulation in the non-stoichiometric Lu-h.n, rather th.n superconductivity.

关键词： superconductivity high pressure lutetium hydride resistance transition metal-to-semiconductor/insulator transition

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Electronic and Thermoelectric Properties in SnS-nanoribbon-Based heterojunctions

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Ch.nese Physics Letters 2024年第9期41卷 63-68页

作者： Kai-Bo Zh.ng Shi-hua Tan Xiao-Fang peng Meng-Qiu Long h.nan Province Key Laboratory of Materials Surface or Interface Science and Technology Central South University of Forestry and TechnologyChangsha 410004China School of Physics and Electronics Central South UniversityChangsha 410083China

As an earth-abundant and environmentally friendly material,tin sulfide(SnS)is not only a high-performance photovoltaic material,but also a new promising thermoelectric *** extensive research on the thermoelectric properties of this material in recent years,the room-temperature thermoelectric figure of merit(ZT)of SnS has not been broke through 2[2022 *** Mater.651143].In this work,based on a combination of density functional theory and non-equilibrium Green’s function method,the electronic and thermoelectric properties in SnS-nanoribbon-based heterojunctions are *** results show that although SnS nanoribbons(SnSnRs)with zigzag edges(ZSnSnRs)and armchair edges(ASnSnRs)both have semiconductor properties,the bandgaps of ASnSnRs are much wider th.n those of ZSnSnRs,which induces much wider conductance gaps of𝑁-ASnSnR(n𝑁is the number of tin-sulfide lines across the ribbon width)).In the positive energy region,the ZT peaks of𝐿L-SnS-Au are much larger th.n those of𝐿L-SnS-GnR(L𝐿represents the number of longitudinal repeating units of SnSnR in the scattering region).While in the positive energy region,the ZT peaks of𝐿-SnSGnR are larger th.n those of𝐿-*** calculations reveal that the figure of merit will be over 3.7 in L-SnS-Au and 2.2 in𝐿L-SnS-GnR at room temperature,and over 4 in𝐿L-SnS-Au and 2.6 in𝐿L-SnS-GnR at 500 K.

关键词： material. sulfide ribbon

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Enh.ncing photoresponsiveness of metal-organic polyhedra by modifying microenvironment

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nano Research 2024年第6期17卷 5712-5717页

作者： Long Zh.ng peng Tan Qian Song Sh.ng-Tao Wang Min Li Xiao-Qin Liu Lin-Bing Sun State Key Laboratory of Materials-Oriented Chemical Engineering Jiangsu National Synergetic Innovation Center for Advanced Materials(SICAM)College of Chemical EngineeringNanjing Tech UniversityNanjing 211816China

Photoresponsiveness of materials is critical to their tunability and efficiency in terminal *** metal-organic polyhedra(PMOPs)feature intrinsic pores and remote controllability,but aggregation of PMOPs in solid state hampers their photoresponsiveness ***,we report the construction of a new PMOP(Cu_(24)(C_(16)h_(12)n_(2)O_(4))_(12)(C_(18)h_(22)O_(5))12,denoted as MOP-PR-LA),where long alkyl(LA)chains act as the intermolecular poles,propping against adjacent PMOP molecules to create individual microenvironment benefiting the isomerization of photoresponsive(PR)*** ultraviolet(UV)-and visible-light irradiation,MOP-PR-LA is much easier to isomerize th.n the counterpart MOP-PR without *** propylene adsorption,MOP-PR has a low ch.nge of adsorption capacity(9.9%),while that of MOP-PR-LA reaches 58.6%.Density functional theory calculations revealed that PR in the cis state has a negative effect on adsorption,while the trans state of PR favors *** work might open an avenue for the construction of photoresponsive materials with high responsiveness and controllability.

关键词： photoresponsive adsorption metal-organic polyhedra azobenzene long alkyl chains propylene capture

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RnA ac^(4)C modification in cancer biology:from regulatory mech.nisms to clinical applications

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Science Ch.na(Life Sciences) 2024年第4期67卷 832-835页

作者： Lijun Tao yunqing Lu Zhuojia Ch.n Lich.n Ge Junming he Jianxin peng h.ngsh.ng Wang School of Pharmaceutical Sciences Sun Yat-sen UniversityGuangzhou 510006China Sun yat-sen University Cancer Center State Key Laboratory of Oncology in South ChinaCollaborative Innovation Center for Cancer MedicineGuangzhou 510060China Department of hepatobiliary Surgery Guangdong Province Traditional Chinese Medical HospitalGuangzhou 510120China

RnA modifications are increasingly recognized for their significance in diverse physiological and pathological processes,with over 170 types of chemical modifications having been discovered since *** these modifications,n4-acetylcytidine(ac^(4)C)is the first acetylated modification identified on eukaryotic RnAs,previously reported in transfer RnA(t RnA)and ribosomal RnA(rRnA)。

关键词： clinical (4) modification

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