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Ultra-efficient and parameter-free computation of submicron thermal transport with phonon Boltzmann transport equation

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Fundamental Research 2024年第4期4卷 907-915页

作者： yue Hu Yongxing Shen hua Bao University of Michigan-Shanghai Jiao Tong University Joint Institute Shanghai Jiao Tong UniversityShanghai 200240China

Understanding thermal transport at the submicron scale is crucial for engineering applications,especially in the thermal management of electronics and tailoring the thermal conductivity of thermoelectric *** the submicron scale,the macroscopic heat diffusion equation is no longer valid and the phonon Boltzmann transport equation(BTE)becomes the governing equation for thermal ***,previous thermal simulations based on the phonon BTE have two main limitations:relying on empirical parameters and prohibitive computational ***,the phonon BTE is commonly used for qualitatively studying the non-Fourier thermal transport phenomena of toy *** this work,we demonstrate an ultra-efficient and parameter-free computational method of the phonon BTE to achieve quantitatively accurate thermal simulation for realistic materials and *** properly integrating the phonon properties from first-principles calculations,our method does not rely on empirical material properties *** can be generally applicable for different materials and the predicted results can match well with experimental ***,by developing a suitable ensemble of advanced numerical algorithms,our method exhibits superior numerical *** full-scale(from ballistic to diffusive)thermal simulation of a 3-dimensional fin field-effect transistor with 13 million degrees of freedom,which is prohibitive for existing phonon BTE solvers even on supercomputers,can now be completed within two hours on a single personal *** method makes it possible to achieve the predictive design of realistic nanostructures for the desired thermal *** also enables accurately resolving the temperature profiles at the transistor level,which helps in better understanding the self-heating effect of electronics.

关键词： Submicron thermal transport Boltzmann transport equation Deterministic numerical method Phonon transport Transistors Nanostructured materials

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Ti_(3)C_(2)T_(x)/SnO_(2)P–N heterostructure construction boosts room-temperature detecting formaldehyde

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Rare Metals 2024年第1期43卷 267-279页

作者： yue zhang Ming-yue Wang Xiao-Guang San Yan-Bai Shen Guo-Sheng Wang Lei zhang Dan Meng College of Chemical Engineering Shenyang University of Chemical TechnologyShenyang 110142China Institute for Superconducting and Electronic Materials(ISEM) Australian Institute for Innovative Materials(AIIM)University ofWollongongWollongongNSW2500Australia College of Resources and Civil Engineering Northeastern UniversityShenyang 110819China

Formaldehyde is a common atmospheric pollutant produced in industrial production and daily ***,the traditional semiconductor formaldehyde gas sensor cannot work at room temperature,which limits its practical ***,developing high-performance gas sensors for rapidly and accurately detecting formaldehyde at room temperature is an important *** this study,Ti_(3)C_(2)Tx/SnO_(2)heterostructures were constructed,which could selectively detect formaldehyde at room temperature with a response value of 29.16%(10×10^(-6)).In addition,the sensor shows a remarkable theoretical detection limit of 5.09×10^(-9)and good longterm *** functional theory(DFT)simulations reveal that SnO_(2)nano spheres provide the majority of adsorption sites that strongly interact with ***,Ti_(3)C_(2)T_(x)acting as a conductive layer facilitates the transfer of charge carriers so that they show a sensing response to formaldehyde at room ***,the formation of p-n heterostructures between SnO_(2)and Ti_(3)C_(2)T_(x)boosts the Schottky barrier at the interface,which is the critical factor in enhancing the sensing properties by turning the Schottky barrier upon introducing formaldehyde *** perspective is expected to provide instructive guidance for utilizing MXene/metal oxide nanocomposites to improve the gas sensing performance at room temperature.

关键词： Ti_(3)C_(2)T_(x)/SnO_(2)nanocomposites p-n heterostructures Formaldehyde sensing Room temperature DFT calculations

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Comparison of corrosion mechanisms of 510L low alloy steel treated by ACS and EPS techniques under various service environments

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Journal of Iron and Steel Research International 2024年第2期31卷 501-518页

作者： Bao-sheng Liu Peng-fei Xu Shao-hua zhang Yan-rui Li Li-ming Mou Jia-li Li yue-zhong zhang Pei-mao Fu Fa-cai Shi College of Materials Science and Engineering Taiyuan University of Science and TechnologyTaiyuan030024ShanxiChina College of Chemical and Biological Engineering Taiyuan University of Science and TechnologyTaiyuan030024ShanxiChina Technical Center Taiyuan Iron and Steel(Group)Co.Ltd.Taiyuan030003ShanxiChina

The corrosion mechanism of 510L low alloy steel treated by acid-cleaned surface(ACS)and eco-pickled surface(EPS)techniques in three simulated solutions(S0:atmospheric environment;S1:soil environment;S2:industrial environment)and the influence of interaction between different corrosive anions on corrosion were *** results show that the total corrosion rates of samples in three simulated solutions were in order of S2>S0>S1,which is simultaneously correlated with initial corrosion dissolution processes as well as after the formation of corrosion ***3−will inhibit the initial corrosion owing to the formation of films,whereas HSO3−will accelerate the dissolutions of the matrix based on the synergistic action of HSO3−and Cl−.On the other hand,there is no significant difference in corrosion rates between the samples treated by ACS and EPS *** EPS technique that is safe,reusable and environmentally friendly can be further widely used in future work.

关键词： Corrosion mechanism Low alloy steel Simulated solution Surface technique Immersion time

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Multidimensional coupled structure-activity relationship models for replacement of SF_(6)

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High Voltage 2024年第2期9卷 484-494页

作者： Mi zhang hua Hou Baoshan Wang College of Chemistry and Molecular Sciences Wuhan UniversityWuhanChina

Computational screening of single gases to replace SF_(6)for electrical insulation has been challenged by the difficulty in combining various mutually exclusive properties especially for dielectric performance with liquefaction and environmental *** reveal the inherent correlations between dielectric strength(Er),boiling point(Tb),and global warming potential(GWP)of dielectric materials,a coupled structure-activity relationship(CSAR)model has been proposed for the first *** means of the generic descriptors,as deduced from the electrostatic potentials,and the specific descriptors,as introduced from the respective microscopic mechanisms,the complex interdependence between Er,Tb,and GWP of the insulation gases is quantitatively characterised by the 3-D coupling *** coupling mechanism for the right balance of properties is uncovered in terms of the first-principle *** CSAR model outperforms the previous SAR models in predicting Er,Tb,and GWP simultaneously in a self-consistent *** importantly,the concept of CSAR could be extended readily to any multidimensional macroscopic *** replacement compounds have been identified tentatively to be the promising candidates to replace SF_(6)using the CSAR model.

关键词： properties. dielectric insulation

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Correlative factors of poor prognosis and abnormal cellular immune function in patients with Alzheimer’s disease

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World Journal of Clinical Cases 2024年第6期12卷 1063-1075页

作者： hua Bai Hong-Mei Zeng Qi-Fang zhang yue-Zhi Hu Fei-Fei Deng Department of Neurology The Third Affiliated Hospital of Guizhou Medical University in ChinaDuyun 558099Guizhou ProvinceChina Department of Neurology Guizhou Medical UniversityDuyun 558099Guizhou ProvinceChina Key Laboratory of Medical Molecular Biology Guizhou Medical UniversityGuiyang 550004Guizhou ProvinceChina

BACKGROUND Alzheimer’s disease(AD)is a serious disease causing human dementia and social *** quality of life and prognosis of AD patients have attracted much *** role of chronic immune inflammation in the pathogenesis of AD is becoming more and more *** To study the relationship among cognitive dysfunction,abnormal cellular immune function,neuroimaging results and poor prognostic factors in *** A retrospective analysis of 62 hospitalized patients clinical diagnosed with AD who were admitted to our hospital from November 2015 to November *** cognitive dysfunction performance characteristics,laboratory test data and neuroimaging data from medical records within 24 h of admission,including Mini Mental State Examination Scale score,drawing clock test,blood T lymphocyte subsets,and neutrophils and lymphocyte ratio(NLR),disturbance of consciousness,extrapyramidal symptoms,electroencephalogram(EEG)and head nucleus magnetic spectroscopy(MRS)and other *** logistic regression analysis was used to determine independent prog-nostic *** modified Rankin scale(mRS)was used to determine whether the prognosis was *** correlation between drug treatment and prognostic mRS score was tested by the rank sum *** Univariate analysis showed that abnormal cellular immune function,extrapyramidal symptoms,obvious disturbance of consciousness,abnormal EEG,increased NLR,abnormal MRS,and complicated pneumonia were related to the poor prognosis of AD *** logistic regression analysis showed that the decrease in the proportion of T lym-phocytes in the blood after abnormal cellular immune function(odd ratio:2.078,95%confidence interval:1.156-3.986,P<0.05)was an independent risk factor for predicting the poor prognosis of *** number of days of donepezil treatment to improve cognitive function was negatively correlated with mRS score(r=0.578,P<0.05).CONCLUSION The decrease in the proportion of T

关键词： Alzheimer’s disease Cellular immunity Prognosis T lymphocytes Magnetic resonance spectroscopy

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Synthesis of poly(thiourethane-alt-thioester)by alternating ring-opening copolymerization of N-thiocarboxyanhydrides and episulfides

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Science China Chemistry 2024年第9期67卷 3091-3097页

作者： Wei Xiong Tianjun yue Haiwang Lai Chunyan Lyu Weimin Ren hua Lu Beijing National Laboratory for Molecular Sciences Center for Soft Matter Science and EngineeringKey Laboratory of Polymer Chemistry and Physics of Ministry of EducationCollege of Chemistry and Molecular EngineeringPeking UniversityBeijing 100871China State Key Laboratory of Fine Chemicals Dalian University of TechnologyDalian 116081China

Polythiourethanes(PTU)and polythioesters(PTE)derived from renewable sources are emerging sustainable polymers for their excellent degradability and ***,P(TU-alt-TE)copolymers have been rare and challenging to ***,we report the efficient synthesis of novel P(TU-alt-TE)copolymers via the alternating copolymerization of N-thiocarboxyanhydrides(NTA)/episufides(ES)and provide mechanistic insight into the alternating chain propagation process via density functional theory(DFT)*** incorporation of ESs into traditional peptide backbone is capable of adjusting the glass transition temperature below thermal decomposition temperature,which confers better thermal processability by regulating the rigidity of the backbone and the hydrogen bond interaction among the polymer *** PTUs with tailored properties are accessible by altering the feeding ratio of NTAs and(bifunctional)***,the thiourethane in the backbone can endow interesting underwater adhesion properties to the *** the broad scope of NTA and ES monomers,this method is expected to provide a promising and general route to a wide range of P(TU-alt-TE)copolymers with diverse properties.

关键词： poly(thiourethane-alt-thioester) alternating ring-opening copolymerization N-thiocarboxyanhydrides episulfides

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Necroptosis contributes to non-alcoholic fatty liver disease pathoetiology with promising diagnostic and therapeutic functions

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World Journal of Gastroenterology 2024年第14期30卷 1968-1981页

作者： Hong-Ju Sun Bo Jiao Yan Wang yue-hua zhang Ge Chen Zi-Xuan Wang Hong Zhao Qing Xie Xiao-hua Song Department of General Medicine Qingdao Central HospitalUniversity of Health and Rehabilitation Sciences(Qingdao Central Medical Group)Qingdao 266042Shandong ProvinceChina Department of Gastroenterology Qingdao Central HospitalUniversity of Health and Rehabilitation Sciences(Qingdao Central Medical Group)Qingdao 266042Shandong ProvinceChina Department of Medical Administration Qingdao Central HospitalUniversity of Health and Rehabilitation Sciences(Qingdao Central Medical Group)Qingdao 266042Shandong ProvinceChina Qingdao Medical College Qingdao UniversityQingdao 266042Shandong ProvinceChina Department of Infectious Diseases Ruijin HospitalShanghai Jiao Tong University School of MedicineShanghai 200025China

Nonalcoholic fatty liver disease(NAFLD)is the most prevalent type of chronic liver ***,the disease is underappreciated as a remarkable chronic disorder as there are rare managing *** studies have focused on determining NAFLD-caused hepatocyte death to elucidate the disease pathoe-tiology and suggest functional therapeutic and diagnostic ***,ferroptosis,and necroptosis are the main subtypes of non-apoptotic regulated cell deaths(RCDs),each of which represents particular *** the complexity of the findings,the present study aimed to review these types of RCDs and their contribution to NAFLD progression,and subsequently discuss in detail the role of necroptosis in the pathoetiology,diagnosis,and treatment of the *** study revealed that necroptosis is involved in the occurrence of NAFLD and its progression towards steatohepatitis and cancer,hence it has potential in diagnostic and therapeutic ***,further studies are necessary.

关键词： Nonalcoholic fatty liver disease Apoptosis Necroptosis Cell death Diagnosis Treatment

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Strain sensor on a chip for quantifying the magnitudes of tensile stress on cells

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Microsystems & Nanoengineering 2024年第3期10卷 305-315页

作者： Yuyin zhang yue Wang Hongze Yin Jiahao Wang Na Liu Songyi Zhong Long Li Quan zhang Tao yue School of Mechatronics Engineering and Automation Shanghai UniversityShanghaiChina School of Future Technology Shanghai UniversityShanghaiChina Key Laboratory of Advanced Manufacturing Technology of Zhejiang Province School of Mechanical EngineeringZhejiang UniversityHangzhouChina Shanghai Key Laboratory of Intelligent Manufacturing and Robotics Shanghai UniversityShanghaiChina Shanghai Institute of Intelligent Science and Technology Tongji UniversityShanghaiChina

During cardiac development,mechanotransduction from the in vivo microenvironment modulates cardiomyocyte growth in terms of the number,area,and arrangement ***,the response of cells to different degrees of mechanical stimuli is ***-on-a-chip,as a platform for investigating mechanical stress stimuli in cellular mimicry of the in vivo microenvironment,is limited by the lack of ability to accurately quantify externally induced ***,previous technology lacks the integration of external stimuli and feedback sensors in microfluidic platforms to obtain and apply precise amounts of external ***,we designed a cell stretching platform with an in-situ *** in-situ liquid metal sensors can accurately measure the mechanical stimulation caused by the deformation of the vacuum cavity exerted on *** platform was applied to human cardiomyocytes(AC16)under cyclic strain(5%,10%,15%,20 and 25%),and we found that cyclic strain promoted cell growth induced the arrangement of cells on the membrane to gradually unify,and stabilized the cells at 15%amplitude,which was even more effective after 3 days of *** platform’s precise control and measurement of mechanical forces can be used to establish more accurate in vitro microenvironmental models for disease modeling and therapeutic research.

关键词： stress deformation arrangement

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关注抗癫痫药物的标签外用药

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中华儿科杂志 2011年第8期49卷 564-566页

作者：张月华北京大学第一医院儿科 100034

抗癫痫药物（antiepileptic drugs，AEDs）是一批由国家食品与药品监督管理局（SFDA）批准的控制癫痫发作的药物。临床使用的AEDs包括传统的AEDs和80年代以后上市的多种新型AEDs。

关键词：抗癫痫药物食品与药品监督管理局外用药标签 AEDs drugs 癫痫发作临床使用

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CuInS_(2)quantum-dot-modified g-C_(3)N_(4)S-scheme heterojunction photocatalyst for hydrogen production and tetracycline degradation

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Journal of Materials Science & Technology 2024年第5期172卷 145-155页

作者： Jingjing zhang yue Zhao Kezhen Qi Shu-yuan Liu College of Pharmacy Dali UniversityDali 671000China Department of Pharmacology Shenyang Medical CollegeShenyang 110034China

CuInS_(2)quantum-dot(CIS QD)-modified g-C_(3)N_(4)(CN)catalysts(CIS/CN)were prepared with the aid of an in-situ growth *** as-obtained photocatalysts were explored by measuring their crystallinity,surface morphology,binding energy and light absorption *** photocatalytic efficiency of the pho-tocatalysts was evaluated through photocatalytic water splitting for hydrogen production and tetracycline(TC)antibiotic degradation under the simulated solar light and visible light *** optimized sample(10CIS/CN)showed the best photocatalytic activity:producing 102.4μmol g^(-1)h^(-1)of hydrogen in 1 h,or degrading 52.16%of TC in 120 min,which were respectively 48 or 3.4 times higher than the photocatalytic activity of CN *** enhancement in the efficiency of the composite system was prin-cipally accredited to the enlargement of light absorption,the more effective in charge transfer and the dropping of the charge carrier pair recombination through a formed S-scheme heterojunctional *** work is an effort to adjust CN-based polysulfide QD for speedy *** enriched photo-catalytic activity grants a new sense for adjusting the optical properties of CN.

关键词： CuInS_(2)QDs g-C_(3)N_(4) Photocatalysis Hydrogen production S-scheme heterojunction

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