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Impact of Carbon Chain Structures in the Backbone on the Flexibility of Modified Polyarylene Sulfide Resins: Molecular Dynamics Simulations and Mesoscopic Analysis

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Chinese Journal of Polymer Science 2024年第4期42卷 544-557页

作者： Chi Zhang Rong Liu Jing-Yuan Liu Wen-wei jiang Key Laboratory of Fine Chemical Engineering and Functional Materials School of Chemical EngineeringSichuan UniversityChengdu610065China

In the domain of high-performance engineering polymers, the enhancement of mechanical flexibility in poly(phenylene sulfide) (PPS) resins has long posed a significant challenge. A novel molecular structure, designated as PP-He-IS, wherein imide rings and an aliphatic hexylene chain are covalently incorporated into the PPS backbone to enhance its flexibility, is introduced in this study. Molecular dynamics (MD) simulations are employed to systematically explore the effects of diversifying the backbone chain structures by substituting phenyl units with alkyl chains of varying lengths, referred to as PP-A-IS where “A” signifies the distinct intermediary alkyl chain configurations. Computational analyses reveal a discernable decrement in the glass transition temperature (Tg) and elastic modulus, counterbalanced by an increment in yield strength as the alkyl chain length is extended. Notably, the PP-He-IS variant is shown to exhibit superior yield strength while simultaneously maintaining reduced elastic modulus and Tg values, positioning it as an advantageous candidate for flexible PPS applications. Mesoscopic analyses further indicate that structures such as PP-He-IS, PP-Pe-IS, and PP-Bu-IS manifest remarkable flexibility, attributable to the presence of freely rotatable carbon-carbon single bonds. Experimental validation confirms that a melting temperature of 504 K which is lower than that of conventional PPS, and lower crystallinity are exhibited by PP-He-IS, thereby affording enhanced processability without compromising inherent thermal stability. Novel insights into the strategic modification of PPS for mechanical flexibility are thus furnished by this study, which also accentuates the pivotal role played by molecular dynamics simulations in spearheading high-throughput investigations in polymer material modifications.

关键词： Molecular dynamics simulations Polyarylene Sulfide Main-chain modifications Flexibility Aliphatic hexylene chain

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辽代碑志铭记中的纪时法研究

史学集刊 2015年第2期 48-59页

作者：姜维公姜维东长春师范大学历史文化学院吉林长春130032

辽代的纪时法建立在中原历法基础之上,由于史料缺略,其记载多见于金石文字中,但其种类繁多、错误不断,究其原因,是碑志铭记的作者多为下层知识分子。辽代的纪时法由纪年法、纪月法、纪日法和纪时法四部分组成。纪年法主要是年号纪年法... 详细信息

辽代的纪时法建立在中原历法基础之上,由于史料缺略,其记载多见于金石文字中,但其种类繁多、错误不断,究其原因,是碑志铭记的作者多为下层知识分子。辽代的纪时法由纪年法、纪月法、纪日法和纪时法四部分组成。纪年法主要是年号纪年法和干支纪年法,还有十二辰纪年法、太岁纪年法和生肖纪年法;纪月法分为:四季纪月法、序数纪月法、十二支纪月法、干支纪月法、律吕纪月法、专名纪月法及其他异名纪月法;纪日法共分为干支纪日法、蓂荚纪日法、月相纪日法和五行纪日法;纪时法有三种:地支纪时法、特殊的天干纪时法和干支纪时法。对碑志铭记中的纪时法进行研究,对了解辽代"纪时内容"作用巨大,也能纠正因碑石残泐而产生的误释现象。

关键词：辽代纪时法纪年法纪月法纪日法纪时法

Using deep neural networks coupled with principal component analysis for ore production forecasting at open-pit mines

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第3期16卷 727-740页

作者： Chengkai Fan Na Zhang Bei jiang wei Victor Liu Department of Civil and Environmental Engineering University of AlbertaEdmontonAlbertaT6G 2E3Canada Department of Mathematical and Statistical Sciences University of AlbertaEdmontonAlbertaT6G 2G1Canada

Ore production is usually affected by multiple influencing inputs at open-pit ***,the complex nonlinear relationships between these inputs and ore production remain *** becomes even more challenging when training data(*** haulage information and weather conditions)are *** machine learning(ML)algorithms,deep neural network(DNN)is a superior method for processing nonlinear and massive data by adjusting the amount of neurons and hidden *** study adopted DNN to forecast ore production using truck haulage information and weather conditions at open-pit mines as training *** the prediction models were built,principal component analysis(PCA)was employed to reduce the data dimensionality and eliminate the multicollinearity among highly correlated input *** verify the superiority of DNN,three ANNs containing only one hidden layer and six traditional ML models were established as benchmark *** DNN model with multiple hidden layers performed better than the ANN models with a single hidden *** DNN model outperformed the extensively applied benchmark models in predicting ore *** can provide engineers and researchers with an accurate method to forecast ore production,which helps make sound budgetary decisions and mine planning at open-pit mines.

关键词： Oil sands production Open-pit mining Deep learning Principal component analysis(PCA) Artificial neural network Mining engineering

Emerging role of regulated cell death in intestinal failure-associated liver disease

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Hepatobiliary & Pancreatic Diseases International 2024年第3期23卷 228-233页

作者： Si-Yang Cheng Lu jiang Ying Wang wei Cai Department of Pediatric Surgery Xinhua HospitalSchool of MedicineShanghai Jiao Tong UniversityShanghai 200092China Shanghai Key Laboratory of Pediatric Gastroenterology and Nutrition Shanghai 200092China Shanghai Institute for Pediatric Research Shanghai 200092China Division of Pediatric Gastroenterology and Nutrition Xinhua HospitalSchool of MedicineShanghai Jiao Tong UniversityShanghai 200092China

Intestinal failure-associated liver disease(IFALD)is a common complication of long-term parenteral nutrition that is associated with significant morbidity and *** is mainly characterized by cholestasis in children and steatohepatitis in ***,there is no effective approach to prevent or reverse the *** cell death(RCD)represents a fundamental biological paradigm that determines the outcome of a variety of liver *** cell death is reclassified into several types,based on the mechanisms and morphological *** evidence has linked different modes of RCD,such as apoptosis,necroptosis,ferroptosis,and pyroptosis to the pathogenesis of liver *** studies have shown that different modes of RCD are present in animal models and patients with *** the pathogenic roles of cell death may help uncover the underlying mechanisms and develop novel therapeutic strategies in *** this review,we discuss the current knowledge on how RCD may link to the pathogenesis of *** highlight examples of cell death-targeted interventions aiming to attenuate the disease,and provide perspectives for future basic and translational research in the field.

关键词： Parenteral nutrition Apoptosis Necroptosis Cholestasis Steatosis

Large Eddy Simulation of NO Formation in Non-Premixed Turbulent Jet Flames with Flamelet/Progress Variable Approach

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Journal of Thermal Science 2024年第06期33卷 2399-2412页

作者： WAN Jiawei GUO Junjun wei Zhengyun jiang Xudong LIU Zhaohui State Key Laboratory of Coal Combustion School of Energy and Power EngineeringHuazhong University of Science and Technology (HUST) CCRC King Abdullah University of Science and Technology (KAUST)

To improve the NO modelling in turbulent flames,the flamelet/progress variable(FPV) model is extended by introducing NO mass fraction into the progress variable and incorporating an additional NO transport *** sets of flamelet databases are tabulated with progress variables based on major species and NO mass fraction,*** former is used for the acquisition of the main thermochemical variables,while the latter is employed for NO ***,an additional transport equation is solved to obtain the NO mass fraction,with the source term corrected using the scale similarity *** assessments are first conducted on laminar counterflow diffusion flames to identify lookup-related errors and assess the suitability of progress variable *** results show that the progress variables based on major species and NO could correctly describe the main thermochemical quantities and NO-related variables,***,the model is applied to the large eddy simulation(LES) of Sandia *** results indicate that the extended FPV model improves the NO prediction,with a mean error for NO prediction at 55%,significantly lower than those of existing FPV models(130% and 385%).The LES with the extended FPV model quantitatively captures NO suppression in the mid-range of Reynolds numbers from 22 400(Flame D) to 33 600(Flame E),but underestimates the NO suppression at higher Reynolds numbers from 33 600 to 44 800(Flame F).This underprediction is primarily attributed to the underestimation of local extinction levels in flames with high Reynolds numbers.

关键词： flamelet/progress variable model large eddy simulation NO emission Sandia flames

Molecule aging induced by electron attacking

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Journal of Energy Chemistry 2024年第6期93卷 519-525,I0013页

作者： Ping Song Yining Dong Xue gong Mingbo Ruan Baoxin Ni Xuanhao Mei Kun jiang weilin Xu State Key Laboratory of Electroanalytical Chemistry and Jilin Province Key Laboratory of Low Carbon Chemical Power Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022JilinChina School of Applied Chemistry and Engineering University of Science and Technology of Chin1Hefei 230026AnhuiChina Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials Collaborative Innovation Center of Chemistry for Energy MaterialsDepartment of ChemistryFudan UniversityShanghai 200438China

Here we propose a new concept of"molecule aging":with some special treatment,a molecule could be"aged"by losing some unknown tiny particles or pieces from atoms in the molecule,Such"aging"or loss of unknown tiny particles does not change apparently its molecular structure or chemical composition,but some physicochemical properties could be changed *** further confirm such"molecule aging"via a long-term electron attacking to age water(H_(2)O)*** IR spectra show no structural difference between the fresh water and the aged one,while the NMR spectra show that the electron attacking can decrease the size of water *** facts indicate that the electron attacking indeed can"affect"the structure of water molecule slightly but without damaging to its basic molecule *** exploration reveals that the hydrogen evolution reaction(HER)activity of the aged water molecule is lower than the fresh water on the same Pt/C *** density functional theory calculations indicate that the shortened O-H bond in H_(2)O indeed can present lower HER activity,so the observed size decrease of water clusters from NMR probably could be attributed to the shortening of O-H bond in water *** results indicate significantly that the molecule aging can produce materials with new functions for new possible applications.

关键词： Aging of molecules Electron attacking Full width at half maxima Hydrogen evolution reaction

Review and prospects on the low-voltage Na_(2)Ti_(3)O_(7) anode materials for sodium-ion batteries

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Journal of Energy Chemistry 2024年第1期88卷 446-460,I0011页

作者： Jun Dong Yalong jiang Ruxing Wang Qiulong wei Qinyou An Xiaoxing Zhang Hubei Key Laboratory for High-efficiency Utilization of Solar Energy and Operation Control of Energy Storage System Hubei University of TechnologyWuhan 430068HubeiChina State Key Laboratory of New Textile Materials and Advanced Processing Technologies Wuhan Textile UniversityWuhan 430200HubeiChina Xiamen Key Laboratory of High-Performance Metals and Materials College of MaterialsXiamen UniversityXiamen 361005FujianChina State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070HubeiChina

Due to its low cost and natural abundance of sodium,Na-ion batteries(NIBs)are promising candidates for large-scale energy storage *** development of ultralow voltage anode materials is of great significance in improving the energy density of ***-voltage anode materials,however,are severely lacking in *** all the reported insertion oxides anodes,the Na_(2)Ti_(3)O_(7) has the lowest operating voltage(an average potential of 0.3 V ***^(+)/Na)and is less likely to deposit sodium,which has excellent potential for achieving NIBs with high energy densities and high *** significant progress has been made,achieving Na_(2)Ti_(3)O_(7) electrodes with excellent performance remains a severe *** paper systematically summarizes and discusses the physicochemical properties and synthesis methods of Na_(2)Ti_(3)O_(7).Then,the sodium storage mechanisms,key issues and challenges,and the optimization strategies for the electrochemical performance of Na_(2)Ti_(3)O_(7) are classified and further ***,remaining challenges and future research directions on the Na_(2)Ti_(3)O_(7) anode are *** review offers insights into the design of high-energy and high-safety NIBs.

关键词： Sodium-ion batteries Low-voltage anode materials Na_(2)Ti_(3)O_(7) Electrochemical performances Electrochemical mechanism

Effects of dietary intervention on human diseases:molecular mechanisms and therapeutic potential

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Signal Transduction and Targeted Therapy 2024年第4期9卷 1389-1422页

作者： Yu-Ling Xiao Yue gong Ying-Jia Qi Zhi-Ming Shao Yi-Zhou jiang Key Laboratory of Breast Cancer in Shanghai Department of Breast SurgeryFudan University Shanghai Cancer CenterShanghaiChina Department of Oncology Shanghai Medical CollegeFudanUniversityShanghai200032China

Diet,serving as a vital source of nutrients,exerts a profound influence on human health and disease ***,dietary interventions have emerged as promising adjunctive treatment strategies not only for cancer but also for neurodegenerative diseases,autoimmune diseases,cardiovascular diseases,and metabolic *** interventions have demonstrated substantial potential in modulating metabolism,disease trajectory,and therapeutic *** reprogramming is a hallmark of malignant progression,and a deeper understanding of this phenomenon in tumors and its effects on immune regulation is a significant challenge that impedes cancer *** intake,as a key environmental factor,can influence tumor *** evidence indicates that dietary interventions might affect the nutrient availability in tumors,thereby increasing the efficacy of cancer ***,the intricate interplay between dietary interventions and the pathogenesis of cancer and other diseases is *** encouraging results,the mechanisms underlying diet-based therapeutic strategies remain largely unexplored,often resulting in underutilization in disease *** this review,we aim to illuminate the potential effects of various dietary interventions,including calorie restriction,fasting-mimicking diet,ketogenic diet,protein restriction diet,high-salt diet,high-fat diet,and high-fiber diet,on cancer and the aforementioned *** explore the multifaceted impacts of these dietary interventions,encompassing their immunomodulatory effects,other biological impacts,and underlying molecular *** review offers valuable insights into the potential application of these dietary interventions as adjunctive therapies in disease management.

关键词： diseases metabolism potential

New strategy for boosting cathodic performance of low temperature solid oxide fuel cells via chlorine doping

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Nano Research 2024年第9期17卷 8086-8094页

作者： ShaoHua Xu Hao Qiu Shanshan jiang Jingjing jiang wei Wang Xiaomin Xu wei Kong Tanaka Dennis Chivurugwi Arkadii Proskurin Daifen Chen Chao Su School of Energy and Power Jiangsu University of Science and TechnologyZhenjiang 212100China Institute of Analysis and Testing Beijing Academy of Science and TechnologyBeijing 100089China State Key Laboratory of Materials-Oriented Chemical Engineering College of Chemical EngineeringNanjing Tech UniversityNanjing 211816China WA School of Mines:Minerals Energy and Chemical EngineeringCurtin UniversityPerthWA6102Australia Admiral Makarov National University of Shipbuilding Heroiv Ukrainy av.9Mykolaiv54025Ukraine

To enhance the performance and widespread use of solid oxide fuel cells(SOFCs),addressing the low-temperature(<650℃)electrochemical performance and operational stability issues of cathode materials is ***,we propose an innovative approach to enhance oxygen ion mobility and electrochemical performance of perovskite oxide by substituting some oxygen sites with chlorine *** designed SrTa_(0.1)Fe_(0.9)O_(3-δ-x)Clx(x=0.05 and 0.10)exhibits improved performance compared to SrTa_(0.1)Fe_(0.9)O_(3-δ)(STF).SrTa_(0.1)Fe_(0.9)O_(2.95-δ)Cl_(0.05)(STFCl0.05)shows the lowest area-specific resistance(ASR)value on Sm0.2Ce0.8O1.9(SDC)*** 600℃,STFCl0.05 achieves an ASR value of 0.084Ω·cm^(2),and a single cell with STFCl0.05 reaches a higher peak power density(PPD)value(1143 mW·cm^(-2))than that with STF(672 mW·cm^(-2)).Additionally,besides exhibiting excellent oxygen reduction reaction(ORR)activity at lower temperatures,the STFCl0.05 cathode demonstrates good CO_(2)tolerance and operational *** cell operation lasts for 150 h,and single cell operation endures for 720 h without significant performance *** chlorine doping approach effectively enhances ORR activity and stability,making STFCl0.05 a promising cathode material for low-temperature SOFCs.

关键词： low-temperature solid oxide fuel cells(LT-SOFCs) oxygen reduction reaction(ORR) CO_(2)tolerance chlorine doping