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Thiazoloisoindigo-based Polymer Semiconductors: Synthesis,Structure-Property Relationship, Charge Carrier Polarity, and Field-Effect Transistor Performance

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Chinese Journal of Polymer Science 2024年第1期42卷 24-31,I0006页

作者： Bo-wen li Miao Xiong Mei-Hua liu Zhi-gao li Long Sang Zi-Han Xiong biao Xiao Jian Pei Xiao-Bo Wan Key Laboratory of Optoelectronic Chemical Materials and Devices Ministry of EducationSchoolofOptoelectronic Materials&TechnologyJianghan UniversityWuhan430056China Bejing National Laboratoryfor Molecular Sciences the Key Laboratory of Bioorganic Chemistry and Molecular Engineering of Ministry of EducationCollege of Chemistry and Molecular EngineeringPeking UniversityBeijing 100871China

Developing new polymeric semiconductors with excellent device performance is essential for organic electronics. Herein, we synthesized two new thiazoloisoindigo(Tz II)-based polymers, namely, P(Tz II-d Th-d Th) and P(Tz II-d Th-d Tz), by copolymerizing thiophene-flanked Tz II with bithiophene and bithiazole, respectively. Owing to the more electron-deficient nature of bithiazole than bithiophene, P(Tz II-d Th-d Tz)possesses deeper LUMO/HOMO levels of-3.45/-5.47 e V than P(Tz II-d Th-d Th)(-3.34/-5.32 e V). The organic field-effect transistor(OFET) devices based on P(Tz II-d Th-d Th) exhibited p-type behaviors with an average hole mobility value as high as 1.43 cm^(2)·V^(-1)·s^(-1), while P(Tz II-d Th-d Tz)showed typical ambipolar characteristics with average hole and electron mobilities of 0.38 and 0.56 cm^(2)·V^(-1)·s^(-1). In addition, we compared the performances of both polymers with other Tz II-based polymers reported in our previous work, and showed that the charge carrier polarity can be manipulated by adjusting the number of the thiophene units between the acceptor unit. As the increase of the number of thiophene rings,charge carrier polarity shifts from electron-dominated ambipolar transport to hole-dominated ambipolar transport and then to unipolar hole transport in OFETs, which provides an effective molecular design strategy for further optimization of polymer OFET performance.

关键词： Field-effect transistor Charge carrier polarity Thiazoloisoindigo

Peracetic acid catalytic activation using Co3O4 nanocluster decorated graphitic carbon nitride for cefapirin degradation in water

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Science China Technological Sciences 2024年第10期67卷 3103-3115页

作者： YIN ShiMei gao YiXuan CHEN Long li Fan liu XiaoNa QI Fei liu wen Beijing Key Lab for Source Control Technology of Water Pollution College of Environmental Science and EngineeringBeijing Forestry University Key Laboratory of Water and Sediment Sciences (Ministry of Education) College of Environmental Sciences and EngineeringPeking University School of Environmental Science and Engineering Taiyuan University of Technology State Environmental Protection Key Laboratory of All Material Fluxes in River Ecosystems Peking University Beijing National Laboratory for Molecular Sciences Peking University

This study innovated cobalt-based catalytic nanocomposites（CCNs） for the heterogeneous activation of peracetic acid（PAA）,a green and efficient advanced oxidation process for removing antibiotics from *** Co3O4catalysts exhibit limited activity due to stable electronic *** overcome this,CCNs were synthesized using a one-step condensation method,incorporating a size control strategy that anchors Co3O4nanoclusters within 4-5 nm onto six-fold cavity of g-C3N4,simultaneously modifying the coordination environment of *** alteration significantly enhances the adsorption energy of PAA and catalytic activity compared to commercial *** improved performance of CCN2,in particular,is attributed to a shift in the cobalt d band center towards the Fermi level,facilitating electron delocalization and transfer,enhancing Co-O bonding,and accelerating PAA ***2's superior activity,with a cefapirin（CFP） degradation kinetic rate constant(k1=0.760 min-1)～11 times that of PAA direct oxidation(k1=0.070 min-1) and～5 times that of commercial Co3O4/PAA system(k1=0.164 min-1),is due to its ability to generate dominant reactive species for antibiotic degradation,including alkoxy radicals(CH3C（=O）OO·),high valence metal(CoⅣ（=O）2+),and singlet oxygen（1O2）,with the latter two being crucial for the degradation *** degradation of CFP involved three mechanisms,including direct oxidation by PAA,decarboxylation,and open-ring reactions at nitrogen *** research provides insights into developing high-activity catalysts for efficient PAA activation and antibiotic removal,leveraging the strategy of shifting the transition metal d band center.

关键词： peracetic acid Co3O4 nanocluster high valence metal singlet oxygen cefapirin

Bayesian Filtering for High-Dimensional State-Space Models With State Partition and Error Compensation

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IEEE/CAA Journal of Automatica Sinica 2024年第5期11卷 1239-1249页

作者： Ke li Shunyi Zhao biao Huang Fei liu Key Laboratory of Advanced Process Control for light Industry(Ministry of Education) Institute of AutomationJiangnan UniversityWuxi 214122China Department of Chemical and Materials Engineering University of AlbertaEdmonton AB T6G 2G6Canada

In the era of exponential growth of data availability,the architecture of systems has a trend toward high dimensionality,and directly exploiting holistic information for state inference is not always computationally *** paper proposes a novel Bayesian filtering algorithm that considers algorithmic computational cost and estimation accuracy for high-dimensional linear *** high-dimensional state vector is divided into several blocks to save computation resources by avoiding the calculation of error covariance with immense *** that,two sequential states are estimated simultaneously by introducing an auxiliary variable in the new probability space,mitigating the performance degradation caused by state ***,the computational cost and error covariance of the proposed algorithm are analyzed analytically to show its distinct features compared with several existing *** results illustrate that the proposed Bayesian filtering can maintain a higher estimation accuracy with reasonable computational cost when applied to high-dimensional linear systems.

关键词： filtering estimation error

Prediction models of burst strength degradation for casing with considerations of both wear and corrosion

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Petroleum Science 2024年第1期21卷 458-474页

作者： Jie-li Wang wen-Jun Huang De-li gao MOE Key Laboratory of Petroleum Engineering China University of PetroleumBeijing102249China State Key Laboratory of Petroleum Resources and Prospecting China University of PetroleumBeijing102249China

Casing wear and casing corrosion are serious problems affecting casing integrity failure in deep and ultra-deep *** paper aims to predict the casing burst strength with considerations of both wear and ***,the crescent wear shape is simplified into three categories according to common mathematical ***,based on the mechano-electrochemical(M-E)interaction,the prediction model of corrosion depth is built with worn depth as the initial condition,and the prediction models of burst strength of the worn casing and corroded casing are ***,the accuracy of different prediction models is validated by numerical simulation,and the main influence factors on casing strength are *** last,the theoretical models are applied to an ultra-deep well in Northwest China,and the dangerous well sections caused by wear and corrosion are predicted,and the corrosion rate threshold to ensure the safety of casing is *** results show that the existence of wear defects results in a stress concentration and enhanced M-E interaction on corrosion depth *** accuracy of different mathematical models is different:the slot ring model is most accurate for predicting corrosion depth,and the eccentric model is most accurate for predicting the burst strength of corroded *** burst strength of the casing will be overestimated by more than one-third if the M-E interaction is neglected,so the coupling effect of wear and corrosion should be sufficiently considered in casing integrity evaluation.

关键词： Deep well Casing integrity Casing wear Casing corrosion Burst strength

Epidemiology of congenital diaphragmatic hernia among 24 million Chinese births:a hospital-based surveillance study

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World Journal of Pediatrics 2024年第7期20卷 712-722页

作者： Zhi-Yu Chen Jing Tao wen-li Xu Yu-Yang gao wen-Yan li Zhen liu Jia-Yuan Zhou li Dai National Center for Birth Defects Monitoring West China Second University HospitalSichuan UniversityNo.17 Section 3 RenminnanluChengdu 610041China The Joint Laboratory for Pulmonary Development and Related Diseases West China Institute of Women and Children’s HealthWest China Second University HospitalSichuan UniversityChengduChina Key Laboratory of Birth Defects and Related Diseases of Women and Children Ministry of EducationSichuan UniversityChengduChina NHC Key Laboratory of Chronobology Sichuan UniversityChengduChina Med‑X Center for Informatics Sichuan UniversityChengduChina

Background The prevalence of congenital diaphragmatic hernia(CDH)varies across countries,with limited information available on its epidemiology in *** study aimed to investigate the prevalence,time trends,and perinatal outcomes of CDH in China,as well as its associated malformations and potential associations with maternal and infant *** This study included all birth and CDH cases from the Chinese Birth Defects Monitoring Network between 2007 and 2019,with CDH cases classified as either isolated or *** employed the joinpoint regression model to calculate the trends of prevalence and the annual percent change,with Poisson regression used for adjusted prevalence rate ratios.A P value≤0.05 was considered statistically *** A total of 4397 CDH cases were identified among 24,158,029 births in the study period,yielding prevalence rates of 1.82,1.13 and 0.69 per 10,000 for overall,isolated,and associated CDH,*** prevalence of each type of CDH increased over *** prevalence of overall CDH varied significantly by infant sex(male ***,1.91/10,000 vs.1.63/10,000),maternal residence(urban ***,2.13/10,000 vs.1.45/10,000),maternal age(lies were the most common malformations associated with *** with associated CDH had a higher risk of premature birth and perinatal death than those with isolated *** The increasing prevalence and high perinatal mortality rate of CDH highlight the need for further etiological,epidemiological,and clinical studies among the Chinese population.

关键词： China Congenital diaphragmatic hernia Epidemiology Prevalence

Hole cleaning evaluation and installation spacing optimization of cuttings bed remover in extended-reach drilling

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Petroleum Science 2024年第3期21卷 2005-2022页

作者： Shuo Peng wen-Jun Huang De-li gao MOE Key Laboratory of Petroleum Engineering China University of Petroleum-BeijingBeijing102249China State Key Laboratory of Petroleum Resources and Engineering China University of Petroleum-BeijingBeijing102249China

In extended-reach or long-horizontal drilling,cuttings usually deposit at the bottom of the *** cuttings accumulate to a certain thickness,complex problems such as excessive torque and drag,tubing buckling,and pipe stuck probably occur,which results in a lot of non-productive time and remedial *** bed remover can efficiently destroy deposited cuttings in time through hydraulic and mechanical stirring *** paper aims to build a method for hole cleaning evaluation and installation spacing optimization of cuttings bed remover to improve the wellbore cleaning ***,a Computational Fluid Dynamics approach with Eulerian—Eulerian multiphase model was utilized to investigate the mechanism of cuttings transportation,and a new type of cuttings bed remover was ***,an evaluation method of hole cleaning effect of remover was *** that,the effects of several drilling parameters on hole cleaning including flow rate of drilling fluid,rotational speed of drillpipe,rate of penetration,wellbore size,rheological property of drilling fluid,and remover eccentricity on the performance of cuttings bed remover were *** results demonstrate that the new type of remover with streamline blade performs better than conventional *** efficiency of hole cleaning is greatly improved by increasing the rotational speed of drillpipe,flow rate of drilling fluid,remover eccentricity,and 6 rpm Fann dial reading for drilling *** higher rate of penetration and large wellbore size result in worse hole *** findings can serve as an important guide for the structure optimization design of cuttings bed remover and installation spacing of removers.

关键词： Extended-reach drlling Drilling hydraulics Cuttings transport Hole cleaning Cuttings bed remover

Experimental Data-Driven Flow Field Prediction for Compressor Cascade based on Deep Learning and l_(1)Regularization

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Journal of Thermal Science 2024年第5期33卷 1867-1882页

作者： liu Tantao gao limin li Ruiyu School of Power and Energy Northwestern Polytechnical UniversityXi'an 710012China School of Aerospace Engineering Xi'an Jiaotong UniversityXi'an 710049China

For complex flows in compressors containing flow separations and adverse pressure gradients,the numerical simulation results based on Reynolds-averaged Navier-Stokes(RANS)models often deviate from experimental measurements more or *** improve the prediction accuracy and reduce the difference between the RANS prediction results and experimental measurements,an experimental data-driven flow field prediction method based on deep learning and l_(1)regularization is proposed and applied to a compressor cascade flow *** inlet boundary conditions and turbulence model parameters are calibrated to obtain the high-fidelity flow *** Saplart-Allmaras and SST turbulence models are used independently for mutual *** contributions of key modified parameters are also analyzed via sensitivity *** results show that the prediction error can be reduced by nearly 70%based on the proposed *** flow fields predicted by the two calibrated turbulence models are almost the same and nearly independent of the turbulence *** corrections of the inlet boundary conditions reduce the error in the first half of the *** turbulence model calibrations fix the overprediction of flow separation on the suction surface near the tail edge.

关键词： experimental data-driven compressor cascade deep learning l_(1)regularization

Current Status and Perspectives of Dual-Atom Catalysts Towards Sustainable Energy Utilization

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Nano-Micro Letters 2024年第7期16卷 402-440页

作者： Yizhe li Yajie li Hao Sun liyao gao Xiangrong Jin Yaping li Zhi LV lijun Xu wen liu Xiaoming Sun State Key Laboratory of Chemical Resource Engineering Beijing Advanced Innovation Center for Soft Matter Science EngineeringCollege of ChemistryBeijing University of Chemical TechnologyBeijing 100029People’s Republic of China Xinjiang Coal Mine Mechanical and Electrical Engineering Technology Research Center Xinjiang Institute of EngineeringUrumqi 830023Xinjiang Uygur Autonomous RegionPeople’s Republic of China

The exploration of sustainable energy utilization requires the imple-mentation of advanced electrochemical devices for efficient energy conversion and storage,which are enabled by the usage of cost-effective,high-performance ***,heterogeneous atomically dispersed catalysts are considered as potential candidates for a wide range of *** to conventional cata-lysts,atomically dispersed metal atoms in carbon-based catalysts have more unsatu-rated coordination sites,quantum size effect,and strong metal-support interactions,resulting in exceptional catalytic *** these,dual-atomic catalysts(DACs)have attracted extensive attention due to the additional synergistic effect between two adja-cent metal *** have the advantages of full active site exposure,high selectiv-ity,theoretical 100%atom utilization,and the ability to break the scaling relationship of adsorption free energy on active *** this review,we summarize recent research advancement of DACs,which includes(1)the comprehensive understanding of the synergy between atomic pairs;(2)the synthesis of DACs;(3)characterization meth-ods,especially aberration-corrected scanning transmission electron microscopy and synchrotron spectroscopy;and(4)electrochemical energy-related *** last part focuses on great potential for the electrochemical catalysis of energy-related small molecules,such as oxygen reduction reaction,CO_(2) reduction reaction,hydrogen evolution reaction,and N_(2) reduction *** future research challenges and opportunities are also raised in prospective section.

关键词： Dual-atom catalysts Synergetic effect Electrocatalysis Oxygen reduction reaction CO_(2)reduction reaction Hydrogen evolution reaction N2 reduction reaction

Hypomethylation of glycine dehydrogenase promoter in peripheral blood mononuclear cells is a new diagnostic marker of hepatitis B virus-associated hepatocellular carcinoma

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Hepatobiliary & Pancreatic Diseases International 2024年第1期23卷 35-42页

作者： li-li Miao Jing-wen Wang Hui-Hui liu Shuai gao Yu-Chen Fan Kai Wang Department of Hepatology Qilu Hospital of Shandong UniversityJinan 250012China Experimental Center Shandong University of Traditional Chinese MedicineJinan 250355China Institute of Hepatology Shandong UniversityJinan 250012China

Background: Glycine dehydrogenase(GLDC) plays an important role in the initiation and proliferation of several human cancers. In this study, we aimed to detect the methylation status of GLDC promoter and its diagnostic value for hepatitis B virus-associated hepatocellular carcinoma(HBV-HCC). Methods: We enrolled 197 patients, 111 with HBV-HCC, 51 with chronic hepatitis B(CHB), and 35 healthy controls(HCs). The methylation status of GLDC promoter in peripheral mononuclear cells(PBMCs) was identified by methylation specific polymerase chain reaction(MSP). The mRNA expression was examined using real-time quantitative polymerase chain reaction(q PCR). Results: The methylation frequency of the GLDC promoter was significantly lower in HBV-HCC patients(27.0%) compared to that in CHB patients(68.6%) and HCs(74.3%)( P < 0.001). The methylated group had lower alanine aminotransferase level( P = 0.035) and lower rates of tumor node metastasis(TNM) Ⅲ/Ⅳ( P = 0.043) and T3/T4( P = 0.026). TNM stage was identified to be an independent factor for GLDC promoter methylation. GLDC mRNA levels in CHB patients and HCs were significantly lower than those in HBV-HCC patients( P = 0.022 and P < 0.001, respectively). GLDC mRNA levels were significantly higher in HBV-HCC patients with unmethylated GLDC promoters than those with methylated GLDC promoters( P = 0.003). The diagnostic accuracy of alpha-fetoprotein(AFP) combined with GLDC promoter methylation for HBV-HCC was improved compared with that of AFP alone(AUC: 0.782 vs. 0.630, P < 0.001). In addition, GLDC promoter methylation was an independent predictor for overall survival of HBV-HCC patients( P = 0.038). Conclusions: The methylation frequency of GLDC promoter was lower in PBMCs from HBV-HCC patients than that from patients with CHB and HCs. The combination of AFP and GLDC promoter hypomethylation significantly improved the diagnostic accuracy of HBV-HCC.

关键词： Hepatocellular carcinoma Glycine dehydrogenase DNA methylation Peripheral blood mononuclear cells