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Controlling the reaction network of Ni/silica derived conversion of bio-oil surrogate guaiacol

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Carbon Resources Conversion 2024年第1期7卷 39-60页

作者： Nils Kretzschmar Oliver Busse Markus seifert Technische Universität Dresden Faculty of Chemistry and Food Chemistry01062 DresdenGermany

Replacing fossil carbon sources with green bio-oils is a promising route to switch to a sustainable chemical industry,although their high oxygen contents are *** hydrodeoxygenation is a favored route to upgrade bio-oils to renewable fuels and basic *** this work,we investigated Ni/SiO2 catalysts with differing metal dispersity in continuous mode conversion of guaiacol with a statistical experimental design for 250℃to 400℃,2 h up to 5 h time on stream(ToS)and subsequently different residence time besides other *** low temperature(250℃)promotes cyclohexanol formation from guaiacol,high temperature(400℃)inhibits hydrogenation,leading to phenol and *** medium temperature(340℃),the selectivity for cyclohexanone *** and cyclohexanone(KA-oil)are the industrial basis for polyamide ***,we clarified the role of 2-methoxycyclohexanol(2MC)in the reaction network towards KA-oil for continuous-mode *** analysis was used to predict and optimize product selectivity and yield,leading to the best yield of cyclohexanone/-ol at 327.5℃,low ToS,medium residence time,high particle dispersity,and medium hydrogen pressure(15 bar(g)).

关键词： Hydrodeoxygenation Design of experiments Bio-oil Nickel silica catalyst Continuous mode flow reactor KA-oil Cyclohexanol Cyclohexanone

A sphingolipid message promotes neuronal health across generations

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Neural Regeneration Research 2024年第11期19卷 2325-2326页

作者： Wenyue Wang roger Pocock Development and Stem Cells Program Monash Biomedicine Discovery Institute and Department of Anatomy and Developmental BiologyMonash UniversityMelbourneVICAustralia

Maternal nutrition can affect brain function of offspring in later life(Fitzgerald et al.,2020).Emerging studies have also shown that the maternal environment can modify susceptibility to neurodegenerative disease(Boots et al.,2023).Transmission of environmental information from mother to offspring depends on maternal nutrient *** the nematode Caenorhabditis elegans,maternal yolk,which is synthesized in the intestine and transferred to nourish oocytes and early embryos,can provide extranuclear inheritance factors to mediate phenotypic plasticity across ***,the molecular mechanisms of regulating such intergenerational effects remain largely unknown.

关键词： mother intestine transferred

Programmable repulsive potential for tight-binding from Chen-Möbius inversion theorem

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Science China(Physics,Mechanics & Astronomy) 2024年第1期67卷 71-83页

作者： Jian-Gao Li Jin-Kun Tang Hong-Quan Song Gotthard seifert Dong-Bo Zhang College of Nuclear Science and Technology Beijing Normal UniversityBeijing 100875China Department of Physics Beijing Normal UniversityBeijing 100875China College of Physics and Telecommunication Engineering Zhoukou Normal UniversityZhoukou 466001China Theoretische Chemie Technische Universität DresdenDresden D-01062Germany

An accurate total energy calculation is essential in materials *** date,many tight-binding(TB)approaches based on parameterized hopping can produce electronic structures comparable to those obtained using first-principles ***,TB approaches still have limited applicability for determining material properties derived from the total *** is,the predictive power of the TB total energy is impaired by an inaccurate evaluation of the repulsive *** complexity associated with the parametrization of TB repulsive potentials is the weak link in this *** this study,we propose a new method for obtaining the pairwise TB repulsive potential for crystalline materials by employing the Chen-Möbius inversion *** show that the TB-based phonon dispersions,calculated using the resulting repulsive potential,compare well with those obtained by first-principles calculations for various systems,including covalent and ionic bulk materials and twodimensional *** present approach only requires the first-principles total energy and TB electronic band energy as input and does not involve any *** striking feature enables us to generate repulsive potentials programmatically.

关键词： tight binding first-principles calculation total energy repulsive potential phonon dispersion

Making topological protein links using enzymatic reactions

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National Science Review 2024年第3期11卷 50-51页

作者： roger Castells-Graells Todd O.Yeates Department of Chemistry and Biochemistry University of California UCLA-DOE Institute for Genomics and Proteomics

Proteins are exceedingly complex molecules though, at their heart, they are essentially linear polymers. Pull at their ends and one obtains an extended backbone. While that is true in most cases, some natural proteins... 详细信息

关键词： DESIGN

Mechanistic modeling of copper corrosions in data center environments

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Building Simulation 2024年第3期17卷 483-492页

作者： Rui Zhang Jianshun Zhang roger Schmidt Jeremy L.Gilbert Department of Mechanical and Aerospace Engineering College of Engineering and Computer ScienceSyracuse UniversitySyracuseNY13244USA Buildings and Transportation Science Division Oak Ridge National LaboratoryOak RidgeTN37830USA SyracuseCoE-New York Center of Excellence in Environmental and Energy Systems Syracuse University727 E.Washington StreetSyracuseNY13244USA Department of Bioengineering Clemson UniversityClemson-Medical University of South Carolina Bioengineering ProgramCharlestonSC29425USA

Air-side economizers are increasingly used to take advantage of“free-cooling”in data centers with the intent of reducing the carbon footprint of ***,they can introduce outdoor pollutants to indoor environment of data centers and cause corrosion damage to the information technology *** evaluate the reliability of information technology equipment under various thermal and air-pollution conditions,a mechanistic model based on multi-ion transport and chemical reactions was *** model was used to predict Cu corrosion caused by Cl_(2)-containing pollutant *** also accounted for the effects of temperature(25℃and 28℃),relative humidity(50%,75%,and 95%),and *** also identified higher air temperature as a corrosion barrier and higher relative humidity as a corrosion accelerator,which agreed well with the experimental *** average root mean square error of the prediction was 13.7Å.The model can be used to evaluate the thermal guideline for data centers design and operation when Cl_(2)is present based on pre-established acceptable risk of corrosion in data centers’environment.

关键词： chloride pollutant mixture copper corrosion model data center temperature relative humidity synergistic effect

Analyzing voting power in decentralized governance:Who controls DAOs?

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Blockchain(Research and Applications) 2024年第3期5卷 123-129页

作者： Robin Fritsch Marino Müller roger Wattenhofer ETH Zurich 8092ZurichSwitzerland

We empirically study the state of three prominent DAO governance systems on the Ethereum blockchain:Compound,Uniswap and Ethereum name service(ENS).In particular,we examine how the voting power is distributed in these *** a comprehensive dataset of all governance token holders,delegates,propos-als,and votes,we analyze who holds the voting power and how this power is being used to influence governance *** we reveal that the majority of voting power is concentrated in the hands of a small number of addresses,we rarely observe these powerful entities overturning a vote by choosing a different outcome than that of the overall community and less influential voters.

关键词： Decentralized autonomous organization DAO governance Liquid democracy Blockchain

A framework for dynamic modelling of railway track switches considering the switch blades,actuators and control systems

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Railway Engineering Science 2024年第2期32卷 162-176页

作者： Saikat Dutta Tim Harrison Christopher Ward roger Dixon Phil Winship Institute of Thermofluids School of Mechanical EngineeringUniversity of LeedsLeedsWest YorkshireUK Wolfson School of Mechanical Electrical and Manufacturing EngineeringLoughborough UniversityLoughboroughLeicestershireUK Birmingham Centre for Railway Research and Education School of EngineeringUniversity of BirminghamBirminghamWest MidlandsUK Network Rail Milton KeynesBuckinghamshireUK

The main contribution of this paper is the development and demonstration of a novel methodology that can be followed to develop a simulation twin of a railway track switch system to test the functionality in a digital *** is important because,globally,railway track switches are used to allow trains to change routes;they are a key part of all railway ***,because track switches are single points of failure and safety-critical,their inability to operate correctly can cause significant delays and concomitant *** order to better understand the dynamic behaviour of switches during operation,this paper has developed a full simulation twin of a complete track switch *** approach fuses finite element for the rail bending and motion,with physics-based models of the electromechanical actuator system and the control ***,it provides researchers and engineers the opportunity to explore and understand the design space around the dynamic operation of new switches and switch machines before they are *** is useful for looking at the modification or monitoring of existing switches,and it becomes even more important when new switch concepts are being considered and *** simulation is capable of running in real time or faster meaning designs can be iterated and checked *** paper describes the modelling approach,demonstrates the methodology by developing the system model for a novel“REPOINT”switch system,and evaluates the system level performance against the dynamic performance requirements for the *** the context of that case study,it is found that the proposed new actuation system as designed can meet(and exceed)the system performance requirements,and that the fault tolerance built into the actuation ensures continued operation after a single actuator failure.

关键词： Railway track switch Mathematical modelling Redundant actuation Finite element analysis

Tuberculosis Prevalence Trends from a Predictive Modelling Study-10 High-Burden Countries,1980-2035

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China CDC weekly 2024年第12期6卷 225-229,I0001,I0002页

作者： Qiuping Chen Qiao Liu Kangguo Li Laurent Gavotte roger Frutos Tianmu Chen CIRAD IntertrypMontpellierFrance Universitéde Montpellier MontpellierFrance State Key Laboratory of Molecular Vaccinology and Molecular Diagnostics National Innovation Platform for Industry-Education Integration in Vaccine ResearchXiamen UniversityXiamen CityFujian ProvinceChina State Key Laboratory of Vaccines for Infectious Diseases Xiang An Biomedicine LaboratorySchool of Public HealthXiamen UniversityXiamen CityFujian ProvinceChina Espace-Dev Universitéde MontpellierMontpellierFrance

What is already known about this topic?Given the challenges presented by drug-resistant strains of tuberculosis(TB)and the rising mobility of the population,achieving the objective of eradicating TB appears *** is added by this report?The examination of TB incidence trends in 10 highburden countries(HBCs)indicated a steady rise in cases,with India and China jointly accounting for nearly 70%of the *** for the future show diverse trajectories in these countries,with potential difficulties in reaching the TB elimination target,especially in Nigeria,Congo,and South *** are the implications for public health practice?The number of TB cases is on the *** is crucial to learn from successful strategies to improve TB prevention and control worldwide through collaborative efforts.

关键词： tuberculosis uncertain Tuberculosis

Exciton-polaritons in a 2D hybrid organic-inorganic perovskite microcavity with the presence of optical Stark effect

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Chinese Physics B 2024年第3期33卷 551-555页

作者： Kenneth Coker 郑楚媛 Joseph roger Arhin Kwame Opuni-Boachie Obour Agyekum 张伟利 School of Information and Communication Engineering University of Electronic Science and Technology of ChinaChengdu 611731China Department of Electrical and Electronic Engineering Ho Technical UniversityHo 00233Ghana Telecommunication Engineering Department Kwame Nkrumah University of Science and TechnologyKumasi 00233Ghana

This study investigates the properties of exciton-polaritons in a two-dimensional(2D)hybrid organic-inorganic perovskite microcavity in the presence of optical Stark *** both steady and dynamic state analyses,strong coupling between excitons of perovskite and cavity photons is revealed,indicating the formation of polaritons in the perovskite ***,it is found that an external optical Stark pulse can induce energy shifts of excitons proportional to the pulse intensity,which modifies the dispersion characteristics of the polaritons.

关键词： exciton-polaritons perovskite microcavity optical Stark effect