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Theoretical study on the mechanism of sulfur migration to gas in the pyrolysis of benzothiophene

Frontiers of Chemical Science and Engineering 2023年第3期17卷 334-346页

作者： Ji Liu shuang-wei yang wei Zhao Yu-Long Wu Bin Hu Si-Han Hu Shan-wei Ma Qiang Lu National Engineering Research Center of New Energy Power Generation North China Electric Power UniversityBeijing 102206China Suzhou Institute of North China Electric Power University Suzhou 215000China Institute of Nuclear and New Energy Technology Tsinghua UniversityBeijing 100084China School of Chemistry and Chemical Engineering Xinjiang UniversityUrumqi City 830046China

The release and control of sulfur species in the pyrolysis of fossil fuels and solid wastes have attracted attention ***,thiophene derivatives are important intermediates for the sulfur gas release from organic sulfur,but the underlying migration mechanisms remain ***,the mechanism of sulfur migration during the release of sulfur-containing radicals in benzothiophene pyrolysis was explored through quantum chemistry *** C_(1)-to-C_(2)H-transfer has the lowest energy barrier of 269.9 kJ·mol-1 and the highest rate constant at low temperatures,while the elevated temperature is beneficial for C−S bond homolysis.2-Ethynylbenzenethiol is the key intermediate for the formation of S and SH radicals with the overall energy barriers of 408.0 and 498.7 kJ·mol-1 in favorable *** generation of CS radicals is relatively difficult because of the high energy barrier(551.8 kJ·mol-1).However,it can be significantly promoted by high temperatures,where the rate constant exceeds that for S radical generation above 930°***,the strong competitiveness of S and SH radicals results in abundant H2 S during benzothiophene pyrolysis,and the high temperature is more beneficial for CS2 generation from CS *** study lays a foundation for elucidating sulfur migration mechanisms and furthering the development of pyrolysis techniques.

关键词： benzothiophene sulfur migration pyrolysis density functional theory

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Engineering atomic Rb-N configurations to tune radical pathways for highly selective photocatalytic H2O2 synthesis coupled with biomass valorization

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Journal of Energy Chemistry 2025年第1期100卷 215-225页

作者： Jiaye Li shuang Pan Yihuang Chen Qiong Liu College of Chemistry and Materials Engineering Wenzhou University Guangdong Provincial Key Laboratory of Chemical Measurement and Emergency Test Technology (China) Institute of Analysis Guangdong Academy of Sciences (China National Analytical CenterGuangzhou)

Photocatalytic oxygen reduction for hydrogen peroxide （H2O2） synthesis presents a green and costeffective production ***,achieving highly selective H2O2synthesis remains challenging,necessitating precise control over free radical reaction pathways and minimizing undesirable oxidative ***,we report for the visible light-driven simultaneous co-photocatalytic reduction of O2to H2O2and oxidation of biomass using the atomic rubidium-nitride modified carbon nitride（CNRb）.The optimized CNRb catalyst demonstrates a record photoreduction rate of 8.01 mM h-1for H2O2generation and photooxidation rate of 3.75 mM h-1for furfuryl alcohol to furoic acid,achieving a remarkable solar-to-chemical conversion （SCC） efficiency of up to 2.27%.Experimental characterizations and DFT calculation disclosed that the introducing atomic Rb–N configurations allows for the high-selective generation of superoxide radicals while suppressing hydroxyl free radical *** is because the Rb–N serves as the new alternative site to perceive a stronger connection position for O2adsorption and reinforce the capability to extract protons,thereby triggering a high selective redox product *** study holds great potential in precisely regulating reactive radical processes at the atomic level,thereby paving the way for efficient synthesis of H2O2coupled with biomass valorization.

关键词： Atomic economy Radical pathway regulation Rubidium atom coordination Biomass valorization

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Metal nanoparticles decorated CoFe-(oxy)hydroxysulfides nanosheets fabricated by a general strategy for electrocatalytic water splitting

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Journal of Energy Chemistry 2025年第1期100卷 26-38页

作者： Xiaodong yang Haochen Shen Xiaoming Xiao Zhichao Li Qi Zhou wei yang Bin Jiang Yongli Sun Luhong Zhang Zhenhua Yan School of Chemical Engineering and Technology Tianjin University Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education) Nankai University

This study presents a novel method to fabricate metal-decorated,sulfur-doped layered double hydroxides （M/SLDH） through spontaneous redox and sulfurization *** developed Ag/SLDH and Pt/SLDH catalysts with abundant heterogeneous interfaces and hierarchical nanostructures demonstrated outstanding oxygen evolution reaction （OER） and hydrogen evolution reaction （HER） performance,achieving low overpotentials of 212 and 35 mV at 10 mA cm-2in 1 M KOH,*** both anode and cathode in water splitting,they required only 1.47 V to reach 10 mA cm-2and exhibited high structural robustness,maintaining stability at 1000 mA cm-2for 300 ***-situ Raman analysis revealed that the synergistic effects of metal nanoparticles and S doping significantly promote the transformation into the S-Co1-xFexOOH layer,which serves as the active phase for water ***,ultraviolet photoelectron spectroscopy （UPS） and density functional theory （DFT） analyses indicated that incorporating metal nanoparticles and S doping increase electron density near the Fermi level and reduce reaction energy barriers,thus enhancing intrinsic OER and HER *** study provides a scalable strategy for synthesizing high-performance electrocatalysts for water splitting,with promising potential for broader applications.

关键词： LDH Spontaneous reaction Metal nanoparticles Water splitting

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Surface embedded binary Co-Cu hydroxy phosphate over surface of oxy/hydroxides for efficient nitrate reduction to ammonia

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Nano Research 2025年第1期18卷 195-207页

作者： Chun Zhu Yifei yang Yike Jing Zhen Zeng Xuesong Yi wei Sun Fei yang Key Laboratory of Agro-Forestry Environmental Processes and Ecological Regulation of Hainan Province School of Environmental Science and EngineeringHainan UniversityHaikou 570228China

Electrochemical nitrate reduction reaction(NO3RR)to ammonia is a promising approach to address excess Ncontamination in aqueous environment but suffers from a limited ammonia yield and selectivity due to the low concentration and sluggish *** work reports a three-dimensional porous electrode with binary Co_(2)Cu_(1)hydroxy phosphate embedded into the surface of Ni_(3)Co_(1)oxy/hydroxides(CoCu-PH@NiCo/Ni,“PH”means phosphate-hydroxide),which delivers a yield of 4.13 mg·h^(-1)·cm^(-2)with a high Faraday efficiency of 92.6%under a low nitrate concentration of 40 mM and provide an impressive *** embedded structure of the as-prepared catalyst exhibits unique metal coordination ligands and valence states different from the unitary *** electrochemical in situ infrared spectra and theoretical calculations revealed that the Co sites with the ability to dissociate water molecular to form adsorbed OH*can effectively provide the required protons for the deoxygenation and hydrogenation steps during NO3-conversion,thereby,effectively reducing the energy barrier of the key transition states in the NO3RR process to improve the intrinsic *** demonstrate that the rational design of binary components with the appropriate ability to activate water molecules as well as the threedimensional porous skeletal structure are expected to promote effectively the low-concentration nitrates conversion to ammonia.

关键词： nitrate reduction hydroxy phosphate surface embedded water dissociation active hydroxy adsorbed

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Interaction of major facilitator superfamily domain containing 2A with the blood-brain barrier

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Neural Regeneration Research 2025年第8期20卷 2133-2152页

作者： Yilun Ma Taiwei Dong Fei Luan Juanjuan yang Feng Miao Peifeng wei College of Pharmacy and First Clinical Medical College Shaanxi University of Chinese MedicineXianyangShaanxi ProvinceChina National Drug Clinical Trial Agency The Second Affiliated Hospital of Shaanxi University of Chinese Medicine/Xixian New District Central HospitalXi′anShaanxi ProvinceChina

The functional and structural integrity of the blood-brain barrier is crucial in maintaining homeostasis in the brain microenvironment;however,the molecular mechanisms underlying the formation and function of the blood-brain barrier remain poorly *** major facilitator superfamily domain containing 2A has been identified as a key regulator of blood-brain barrier *** plays a critical role in promoting and maintaining the formation and functional stability of the blood-brain barrier,in addition to the transport of lipids,such as docosahexaenoic acid,across the blood-brain ***,an increasing number of studies have suggested that major facilitator superfamily domain containing 2A is involved in the molecular mechanisms of blood-brain barrier dysfunction in a variety of neurological diseases;however,little is known regarding the mechanisms by which major facilitator superfamily domain containing 2A affects the blood-brain *** paper provides a comprehensive and systematic review of the close relationship between major facilitator superfamily domain containing 2A proteins and the blood-brain barrier,including their basic structures and functions,cross-linking between major facilitator superfamily domain containing 2A and the blood-brain barrier,and the in-depth studies on lipid transport and the regulation of blood-brain barrier *** comprehensive systematic review contributes to an in-depth understanding of the important role of major facilitator superfamily domain containing 2A proteins in maintaining the structure and function of the blood-brain barrier and the research progress to *** will not only help to elucidate the pathogenesis of neurological diseases,improve the accuracy of laboratory diagnosis,and optimize clinical treatment strategies,but it may also play an important role in prognostic *** addition,the effects of major facilitator superfamily domain containing 2A on blood-brain barrier lea

关键词： blood-brain barrier(BBB) caveolin-1 central nervous system docosahexaenoic acid endothelial cells lysophosphatidylcholine major facilitator superfamily domain containing 2A(MFSD2A) transcytosis

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MoS_(2)Lubricate‑Toughened MXene/ANF Composites for Multifunctional Electromagnetic Interference Shielding

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Nano-Micro Letters 2025年第2期17卷 358-371页

作者： Jiaen Wang wei Ming Longfu Chen Tianliang Song Moxi Yele Hao Zhang Long yang Gegen Sarula Benliang Liang Luting Yan Guangsheng Wang School of Physical Science and Engineering Beijing Jiaotong UniversityBeijing 100044People’s Republic of China Key Laboratory of Bio‑Inspired Smart Interfacial Science and Technology of Ministry of Education School of ChemistryBeihang UniversityBeijing 100191People’s Republic of China

The design and fabrication of high toughness electromagnetic interference(EMI)shielding composite films with diminished reflection are an imperative task to solve electromagnetic pollution *** MXene/ANF(aramid nanofibers)–MoS_(2)composite films with nacre-like layered structure here are fabricated after the introduction of MoS_(2)into binary MXene/ANF composite *** introduction of MoS_(2)fulfills an impressive“kill three birds with one stone”improvement effect:lubrication toughening mechanical performance,reduction in secondary reflection pollution of electromagnetic wave,and improvement in the performance of photothermal *** the introduction of MoS_(2)into binary MXene/ANF(mass ratio of 50:50),the strain to failure and tensile strength increase from 22.1±1.7%and 105.7±6.4 MPa and to 25.8±0.7%and 167.3±9.1 MPa,*** toughness elevates from 13.0±4.1 to 26.3±0.8 MJ m^(−3)(~102.3%)*** the reflection shielding effectiveness(SE_(R))of MXene/ANF(mass ratio of 50:50)decreases~10.8%.EMI shielding effectiveness(EMI SE)elevates to 41.0 dB(8.2–12.4 GHz);After the introduction of MoS_(2)into binary MXene/ANF(mass ratio of 60:40),the strain to failure increases from 18.3±1.9%to 28.1±0.7%(~53.5%),the SE_(R)decreases~22.2%,and the corresponding EMI SE is 43.9 *** MoS_(2)also leads to a more efficient photothermal conversion performance(~45 to~55℃).Additionally,MXene/ANF–MoS_(2)composite films exhibit excellent electric heating performance,quick temperature elevation(15 s),excellent cycle stability(2,2.5,and 3 V),and long-term stability(2520 s).Combining with excellent mechanical performance with high MXene content,electric heating performance,and photothermal conversion performance,EMI shielding ternary MXene/ANF–MoS_(2)composite films could be applied in many industrial *** work broadens how to achieve a balance between mechanical properties and versatility of composites in the case of high-function fillers.

关键词： MXene-MoS_(2) Lubrication toughening EMI shielding Photothermal conversion Electric heating performance

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A low redox potential and long life organic anode material for sodium-ion batteries

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Journal of Energy Chemistry 2025年第1期100卷 557-564页

作者： Zhi Li yang wei Kang Zhou Xin Huang Xing Zhou Jie Xu Taoyi Kong Junwei Lucas Bao Xiaoli Dong Yonggang Wang Department of Chemistry and Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials Institute of New Energy Collaborative Innovation Center of Chemistry for Energy Materials (iChEM) Fudan University Department of Chemistry Boston College School of Materials Science and Engineering Anhui University of Technology

Sodium-ion batteries （SIBs） with organic electrodes are an emerging research direction due to the sustainability of organic materials based on elements like C,H,O,and sodium ***,organic electrode materials for SIBs are mainly used as cathodes because of their relatively high redox potentials（>1 V）.Organic electrodes with low redox potential that can be used as anode are ***,a novel organic anode material （tetrasodium 1,4,5,8-naphthalenetetracarboxylate,Na4TDC） has been developed with low redox potential （<0.7 V） and excellent cyclic *** three-sodium storage mechanism was demonstrated with various in-situ/ex-situ spectroscopy and theoretical calculations,showing a high capacity of 208 mAh/g and an average decay rate of merely 0.022%per ***,the Na4TDC-hard carbon composite can further acquire improved capacity and cycling stability for 1200 cycles even with a high mass loading of up to 20 mg *** pairing with a thick Na3V2（PO4）3cathode (20.6 mg cm-2),the as-fabricated full cell exhibited high operating voltage （2.8 V）,excellent rate performance and cycling stability with a high capacity retention of 88.7% after 200 cycles,well highlighting the Na4TDC anode material for SIBs.

关键词： Organic anode material Low redox potential Composite anode Sodium-ion batteries

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Müller cells are activated in response to retinal outer nuclear layer degeneration in rats subjected to simulated weightlessness conditions

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Neural Regeneration Research 2025年第7期20卷 2116-2128页

作者： Yuxue Mu Ning Zhang Dongyu wei Guoqing yang Lilingxuan Yao Xinyue Xu yang Li Junhui Xue Zuoming Zhang Tao Chen Aerospace Clinical Medical Center School of Aerospace MedicineAir Force Medical UniversityXi’anShaanxi ProvinceChina Department of Aviation Medicine Xijing HospitalAir Force Medical UniversityXi’anShaanxi ProvinceChina Department of Emergency Medicine Wuhan No.1 HospitalWuhanHubei ProvinceChina Third Regiment School of Basic MedicineAir Force Medical UniversityXi’anShaanxi ProvinceChina Fourth Regiment School of Basic MedicineAir Force Medical UniversityXi’anShaanxi ProvinceChina

A microgravity environment has been shown to cause ocular damage and affect visual acuity,but the underlying mechanisms remain ***,we established an animal model of weightlessness via tail suspension to examine the pathological changes and molecular mechanisms of retinal damage under *** 4 weeks of tail suspension,there were no notable alterations in retinal function and morphology,while after 8 weeks of tail suspension,significant reductions in retinal function were observed,and the outer nuclear layer was thinner,with abundant apoptotic *** investigate the mechanism underlying the degenerative changes that occurred in the outer nuclear layer of the retina,proteomics was used to analyze differentially expressed proteins in rat retinas after 8 weeks of tail *** results showed that the expression levels of fibroblast growth factor 2(also known as basic fibroblast growth factor)and glial fibrillary acidic protein,which are closely related to Müller cell activation,were significantly *** addition,Müller cell regeneration and Müller cell gliosis were observed after 4 and 8 weeks,respectively,of simulated *** findings indicate that Müller cells play an important regulatory role in retinal outer nuclear layer degeneration during weightlessness.

关键词： glial fibrous acidic protein gliosis Müller cells nerve growth factor neural differentiation neurodegeneration proteomic retinal degeneration retinal outer nuclear layer simulated weightlessness

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A Rapid Adaptation Approach for Dynamic Air‑Writing Recognition Using Wearable Wristbands with Self‑Supervised Contrastive Learning

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Nano-Micro Letters 2025年第2期17卷 417-431页

作者： Yunjian Guo Kunpeng Li wei Yue Nam‑Young Kim yang Li Guozhen Shen Jong‑Chul Lee Department of Electronic Convergence Engineering Kwangwoon UniversitySeoul 01897South Korea Radio Frequency Integrated Circuit(RFIC)Bio Centre Kwangwoon UniversitySeoul 01897South Korea Department of Electronic Engineering Kwangwoon UniversitySeoul 01897South Korea School of Microelectronics Shandong UniversityJinan 250101People’s Republic of China State Key Laboratory of Integrated Chips and Systems Fudan UniversityShanghai 200433People’s Republic of China School of Integrated Circuits and Electronics Beijing Institute of TechnologyBeijing 100081People’s Republic of China

Wearable wristband systems leverage deep learning to revolutionize hand gesture recognition in daily *** existing approaches that often focus on static gestures and require extensive labeled data,the proposed wearable wristband with selfsupervised contrastive learning excels at dynamic motion tracking and adapts rapidly across multiple *** features a four-channel sensing array composed of an ionic hydrogel with hierarchical microcone structures and ultrathin flexible electrodes,resulting in high-sensitivity capacitance *** wireless transmission from a Wi-Fi module,the proposed algorithm learns latent features from the unlabeled signals of random wrist ***,only few-shot labeled data are sufficient for fine-tuning the model,enabling rapid adaptation to various *** system achieves a high accuracy of 94.9%in different scenarios,including the prediction of eight-direction commands,and air-writing of all numbers and *** proposed method facilitates smooth transitions between multiple tasks without the need for modifying the structure or undergoing extensive task-specific *** utility has been further extended to enhance human–machine interaction over digital platforms,such as game controls,calculators,and three-language login systems,offering users a natural and intuitive way of communication.

关键词： Wearable wristband Self-supervised contrastive learning Dynamic gesture Air-writing Human-machine interaction

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Synergistically enhanced ORR and HER performance on Co-N-C coupled in-situ generated PtCo intermetallic

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Journal of Energy Chemistry 2025年第1期100卷 721-729页

作者： Guanyu Luo Min Song Lulu An Xiao Huang Qian Zhang Chenhao Zhang Tao Shen shuang Wang Deli Wang Key Laboratory of Material Chemistry for Energy Conversion and Storage (Huazhong University of Science and Technology) Ministry of Education School of Chemistry and Chemical Engineering Huazhong University of Science and Technology

Integrating multi-scale sites in a composite catalyst is vital to realize efficient ***,a synergistic composite catalyst consisting of Co atomic sites and in-situ generated PtCo intermetallic compounds （IMCs）(o-PtCo@CoNC) is proposed through Co pre-anchoring and subsequent impregnation-reduction *** loading of Co atoms provides a chance for in-situ generating PtCo ordered intermetallic *** remaining Co single atoms and PtCo IMCs construct synergistic electrocatalytic *** from the ordered structure,synergistic effect of Pt Co IMCs and Co single atoms,o-PtCo@CoNC exhibits excellent electrocatalytic performance for oxygen reduction reaction （ORR） and hydrogen evolution reaction （HER） with mass activity of 1.21 A mgPt-1（at 0.9 V） and5.70 A mgPt-1（at an overpotential of 100 mV）,***,o-PtCo@CoNC delivers negligible loss of half-wave potential and overpotential during long-term stability test in acid solutions,with 13 mV decay after 50,000 potential cycles for ORR and a 2.7 mV decay after 20,000 potential cycles for *** integration strategy of single-atomic sites coupled IMCs paves the way for enhancing the activity and durability of Pt-based electrocatalysts.

关键词： Electrolytic reduction

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