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Multi-electron reaction and fast Al ion diffusion of δ-MnO_(2) cathode materials in rechargeable aluminum batteries via first-principle calculations

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Chinese Chemical Letters 2024年第4期35卷 248-254页

作者： Lumin Zheng ying Bai chuan Wu School of Materials Science&Engineering Beijing Institute of TechnologyBeijing 100081China Yangtze Delta Region Academy of Beijing Institute of Technology Jiaxing 314019China

Rechargeable aluminum batteries with multi-electron reaction have a high theoretical capacity for next generation of energy storage devices. However, the diffusion mechanism and intrinsic property of Al insertion into MnO_(2) are not clear. Hence, based on the first-principles calculations, key influencing factors of slow Al-ions diffusion are narrow pathways, unstable Al-O bonds and Mn^(3+) type polaron have been identified by investigating four types of δ-MnO_(2)(O3, O'3, P2 and T1). Although Al insert into δ-MnO_(2) leads to a decrease in the spacing of the Mn-Mn layer, P2 type MnO_(2) keeps the long(spacious pathways)and stable(2.007–2.030 A) Al-O bonds resulting in the lower energy barrier of Al diffusion of 0.56 e V. By eliminated the influence of Mn^(3+)(low concentration of Al insertion), the energy barrier of Al migration achieves 0.19 e V in P2 type, confirming the obviously effect of Mn^(3+) polaron. On the contrary, although the T1 type MnO_(2) has the sluggish of Al-ions diffusion, the larger interlayer spacing of Mn-Mn layer,causing by H_(2)O could assist Al-ions diffusion. Furthermore, it is worth to notice that the multilayer δ-MnO_(2) achieves multi-electron reaction of 3|e|. Considering the requirement of high energy density, the average voltage of P2(1.76 V) is not an obstacle for application as cathode in RABs. These discover suggest that layered MnO_(2) should keep more P2-type structure in the synthesis of materials and increase the interlayer spacing of Mn-Mn layer for providing technical support of RABs in large-scale energy storage.

关键词： Rechargeable aluminum batteries δ-MnO_(2) First-principles calculations Multi-electron reaction Diffusion mechanism

Understanding Urban Vitality from the Economic and Human Activities Perspective:A Case Study of Chongqing,China

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Chinese Geographical Science 2024年第1期34卷 52-66页

作者： YANG Fiona Fan LIN geng LEI Yubing WANG ying YI Zheng School of Geography and Planning Sun Yat-sen UniversityGuangzhou510006China Southern Marine Science and Engineering Guangdong Laboratory(Zhuhai) Zhuhai519100China Chongqing Planning and Design Institute Chongqing401147China

The literature on urban vitality tends to focus on the built *** paper argues that some important processes in shaping vitality may be overlooked without examining the intensity and diversity of economic and human *** newly developed spatial big data and adopting the methods of multi-indicator measurement and spatial analysis methods,we analyzed the pattern of urban vitality in Chongqing,a provincial city in western China and,on this basis,evaluated the creation and maintenance of urban vitality from the economic and human activities *** findings indicate that the impacts of economic and human activities are positive and *** the three intensity and diversity indicators,economic intensity and population density show an effect on urban vitality stronger than that of economic ***,economic diversity has the strongest superposition or interactive effect,and is thus an important foundation *** positive effect of population density on urban vitality is largely a result of Chongqing’s jobs-housing *** case of Chongqing highlights the importance of topographic features,historical inheritance,large-scale migration,and cultural activities in shaping the distinctive vitality pattern of a *** study contends that the creation and maintenance of urban vitality can not be fully explained without incorporating the impacts of economic and human *** contributes to a comprehensive measurement of urban vitality and enriches its connotations.

关键词： urban vitality economic diversity economic intensity population density Chongqing,China

Carbon-based interface engineering and architecture design for high-performance lithium metal anodes

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Carbon Energy 2024年第1期6卷 207-235页

作者： Na Zhu Yuxiang Yang Yu Li ying Bai Junfeng Rong chuan Wu SINOPEC Research Institute of Petroleum Processing Co. Ltd.BeijingChina Beijing Key Laboratory of Environmental Science and Engineering School of Materials Science and EngineeringBeijing Institute of TechnologyBeijingChina Yangtze Delta Region Academy of Beijing Institute of Technology JiaxingChina

Metallic lithium(Li)is considered the“Holy Grail”anode material for the nextgeneration of Li batteries with high energy density owing to the extraordinary theoretical specific capacity and the lowest negative electrochemical ***,owing to inhomogeneous Li-ion flux,Li anodes undergo uncontrollable Li deposition,leading to limited power output and practical *** materials and their composites with controllable structures and properties have received extensive attention to guide the homogeneous growth of Li to achieve high-performance Li *** this review,the correlation between the behavior of Li anode and the properties of carbon materials is ***,we review emerging strategies for rationally designing high-performance Li anodes with carbon materials,including interface engineering(stabilizing solid electrolyte interphase layer and other functionalized interfacial layer)and architecture design of host carbon(constructing three-dimension structure,preparing hollow structure,introducing lithiophilic sites,optimizing geometric effects,and compositing with Li).Based on the insights,some prospects on critical challenges and possible future research directions in this field are *** is anticipated that further innovative works on the fundamental chemistry and theoretical research of Li anodes are needed.

关键词： carbon materials dendrites hosts interfacial layers Li metal anodes

Sliced Average Variance Estimation for Tensor Data

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Acta Mathematicae Applicatae Sinica 2024年第3期40卷 630-655页

作者： chuan-quan LI Pei-wen XIAO Chao ying Xiao-hui LIU School of Statistics Jiangxi University of Finance and EconomicsNanchang 330013China Key Laboratory of Data Science in Finance and Economics Jiangxi University of Finance and EconomicsNanchang 330013China Biostatistics and Medical Informatics University of Wisconsin MadisonMadison 53726USA

Tensor data have been widely used in many fields,e.g.,modern biomedical imaging,chemometrics,and economics,but often suffer from some common issues as in high dimensional *** to find their low-dimensional latent structure has been of great interest for *** this end,we develop two efficient tensor sufficient dimension reduction methods based on the sliced average variance estimation(SAVE)to estimate the corresponding dimension reduction *** first one,entitled tensor sliced average variance estimation(TSAVE),works well when the response is discrete or takes finite values,but is not■consistent for continuous response;the second one,named bias-correction tensor sliced average variance estimation(CTSAVE),is a de-biased version of the TSAVE *** asymptotic properties of both methods are derived under mild *** and real data examples are also provided to show the superiority of the efficiency of the developed methods.

关键词： tensor data sliced average variance estimation sufficient dimension reduction central subspace

Development of small molecule drugs targeting immune checkpoints

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Cancer Biology & Medicine 2024年第5期21卷 382-399页

作者： Luoyi Chen Xinchen Zhao Xiaowei Liu Yujie Ouyang chuan Xu ying Shi Department of Oncology Sichuan Academy of Medical SciencesSichuan Provincial People’s HospitalSchool of MedicineUniversity of Electronic Science and Technology of ChinaChengdu 610054China Institute for Breast Health Medicine State Key Laboratory of BiotherapyWest China HospitalSichuan UniversityChengdu 610041China Acupuncture and Massage College Chengdu University of Traditional Chinese MedicineChengdu 611137China

Immune checkpoint inhibitors(ICIs)are used to relieve and refuel anti-tumor immunity by blocking the interaction,transcription,and translation of co-inhibitory immune checkpoints or degrading co-inhibitory immune *** of small molecule drugs or biological materials,especially antibody-based ICIs,are actively being studied and antibodies are currently widely ***,such as anti-tumor efficacy,poor membrane permeability,and unneglected tolerance issues of antibody-based ICIs,remain evident but are thought to be overcome by small molecule *** structural studies have broadened the scope of candidate immune checkpoint molecules,as well as innovative chemical *** way of comparison,small molecule drug-based ICIs represent superior oral bioavailability and favorable pharmacokinetic *** ongoing clinical trials are exploring the synergetic effect of ICIs and other therapeutic strategies based on multiple ICI functions,including immune regulation,anti-angiogenesis,and cell cycle *** this review we summarized the current progression of small molecule ICIs and the mechanism underlying immune checkpoint proteins,which will lay the foundation for further exploration.

关键词： Immune checkpoints small molecule drugs programmed death protein 1 CD47 signal-regulatory proteinα

Effects of potassium lactate on sensory attributes,bacterial community succession and biogenic amines formation in Rugao ham

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Food Science and Human Wellness 2024年第1期13卷 198-210页

作者： Renyong Liao ying Wang Qiang Xia Changyu Zhou Fang geng Daodong Pan Jinxuan Cao State Key Laboratory for Managing Biotic and Chemical Threats to the Quality and Safety of Agro-products Key Laboratory of Animal Protein Food Processing Technology of Zhejiang ProvinceNingbo UniversityNingbo 315211China Meat Processing Key Laboratory of Sichuan Province School of Food and Biological EngineeringChengdu UniversityChengdu 610106China School of Food and Health Beijing Technology and Business UniversityBeijing 100048China

To deepen the understanding in the effect of potassium lactate on the sensory quality and safety of Rugao ham,sensory attributes,physicochemical parameters,total volatile basic nitrogen(TVBN),microorganism community and biogenic amines of Rugao ham manufactured with different potassium lactate levels(0%,0.5%,1%,2%)were investigated;the relationship between microbial community and the formation of TVBN and biogenic amines was further *** the increase of potassium lactate from 0%to 2%,the increased sensory scores and the decreased total aerobic bacterial count and TVBN were observed;the abundance of Staphylococcus increased,while the content of Halomonas *** effect size(LEf Se)and correlations analysis showed that Staphylococcus equorum and Lactobacillus fermentum could be the key species to improve sensory scores and decrease biogenic amines and *** pathway analysis further showed that amino acids metabolism and nitrogen metabolism were mainly involved in decreasing TVBN and biogenic amines in the treatment of 2%potassium lactate.

关键词： Rugao ham Potassium lactate Biogenic amines Microbial community Metabolic pathways

Unconventional Organic Low-Dimensional Crystals:Diversity and Potential Applications

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CCS Chemistry 2024年第7期6卷 1628-1653页

作者： Jin Feng Mao Sun ying-Xin Ma Zhen-Yu geng chuan-Zeng Wang Shu-Ping Zhuo Shu-Hai Chen Hong-Tao Lin Xue-Dong Wang School of Chemistry and Chemical Engineering Shandong University of TechnologyZibo 255000 School of Resources and Environmental Engineering Shandong University of TechnologyZibo 255000 Institute of Functional Nano&Soft Materials(FUNSOM) Jiangsu Key Laboratory for Carbon-Based Functional Materials&DevicesSoochow UniversitySuzhou 215123

Organic low-dimensional crystals have garnered escalating interests in the realms of miniaturized optoelectronics and integrated *** continual expansion of molecular systems and improvement in experimental conditions have given rise to unconventional organic low-dimensional crystals,which showcase a variety of appealing structure-dependent properties in the realm of organic semiconductors,owing to their adaptable physicochemical characteristics and exceptional optoelectronics ***,the development of unconventional low-dimensional crystals is filled with abundant possibilities due to their diverse application ***,we present a comprehensive overview of advancements in research on representative cases of unconventional low-dimensional organic crystals,using a systematic and rational structural ***,we have also discussed the existing challenges and future directions,aspiring to deepen understanding and encourage further research exploration in this field.

关键词： organic semiconductor crystal growth precise synthesis noncovalent interaction integrat-ed photonics

Microstructure Recrystallization and Mechanical Properties of a Cold-Rolled TiNbZrTaHf Refractory High-Entropy Alloy

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Acta Metallurgica Sinica(English Letters) 2024年第4期37卷 633-647页

作者： chuan Rong Jieren Yang Xiaoliang Zhao Ke Huang ying Liu Xiaohong Wang Dongdong Zhu Ruirun Chen College of Materials Science and Engineering Sichuan UniversityChengdu610065China Key Laboratory of Air-Driven Equipment Technology of Zhejiang Province Quzhou UniversityQuzhou324000China School of Materials Science and Engineering Harbin Institute of TechnologyHarbin150001China

The equiatomic TiNbZrTaHf alloy was successfully rolled at room temperature with the reduction of ~ 85%. The microstructure and tensile properties were investigated after cold working and annealing. It was determined that the recrystallization temperature of the TiNbZrTaHf alloy between 850 and 900 ℃. Complete recrystallization and normal grain growth occurred, the high stability of single phase was maintained after annealing at 1000, 1200, and 1400 ℃. But the precipitated phase appeared after long term annealing, as seen after 500 h at 1000 ℃. After cold working, the tensile strength and the elongation of TiNbZrTaHf were 1137 MPa and 25.1%, respectively. The annealed alloy has a high tensile strength (σ_(b )= 863 MPa) and ductility (ε_(e )= 28.5%). Moreover, the oxidation of TiNbZrTaHf alloy at elevated temperatures has a significant impact on its mechanical properties. The poor oxidation resistance of TiNbZrTaHf can accelerate tensile failure by inducing fractures at grain boundaries.

关键词： Refractory high entropy alloy Cold rolling Recrystallization Oxidation resistance Mechanical properties

Surficial modification enabling planar Al growth toward dendrite-free metal anodes for rechargeable aluminum batteries

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Science China Chemistry 2024年第4期67卷 1341-1351页

作者： Wenhao Liu Yu Li Bo Long Haoyi Yang Lumin Zheng ying Bai Feng Wu chuan Wu School of Materials Science and Engineering Beijing Institute of TechnologyBeijing 100081China Yangtze Delta Region Academy of Beijing Institute of Technology Jiaxing 314019China

Al metal possesses ultrahigh theoretical volumetric capacity of 8,040 m Ah cm^(-3),and gravimetric capacity of 2,980 m Ah g^(-1),and thus is highly attractive for electrochemical energy ***,it suffers from several issues,such as the dendrite formation,during Al stripping-deposition cycling,which has been verified to account for the short circuit and limited cyclic ***,we use a facile and applicable method to in-situ reconstruct the Al anode surface with F-Al-O chemical bonds,which could preferentially induce the planar growth of Al along the interface plane,thus leading to the dendrite-free morphology evolution during the *** from F-Al-O chemical bonds on the surface of Al anodes,long lifespan of symmetric cells can be realized even under 1 m A cm^(-2)and 1 m Ah cm^(-2).Coupling the F-Al anode with graphite-based cathodes,high-voltage dual-ion Al metal batteries can be achieved with long-term cycle stability up to 1,200 cycles(at 0.5 m A cm^(-2)),surpassing the counterparts using pristine Al metal ***,the effectiveness of this surficial modification strategy is also elucidated with the aid of theoretical *** work provides novel insights on low-cost and facile strategies against the Al dendrite growth in aluminum batteries.

关键词： rechargeable aluminum batteries Al metal anode Al dendrite dual-ion batteries surficial modification

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