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Hybrid modeling for carbon monoxide gas-phase catalytic coupling to synthesize dimethyl oxalate process

Chinese Journal of Chemical Engineering 2024年第6期70卷 234-250页

作者： Shida Gao Cuimei bo Chao jiang Quanling Zhang Genke Yang jian Chu Ningbo Artificial Intelligence Institute Shanghai Jiao Tong UniversityNingbo 315012China Department of Automation Shanghai Jiao Tong UniversityShanghai 200240China Key Laboratory of Industrial Internet+Safety Production of Hazardous Chemical Ministry of Emergency ManagementNanjing Tech UniversityNanjing 211816China

Ethylene glycol(EG)plays a pivotal role as a primary raw material in the polyester industry,and the syngas-to-EG route has become a significant technical route in *** carbon monoxide(CO)gas-phase catalytic coupling to synthesize dimethyl oxalate(DMO)is a crucial process in the syngas-to-EG route,whereby the composition of the reactor outlet exerts influence on the ultimate quality of the EG product and the energy consumption during the subsequent separation ***,measuring product quality in real time or establishing accurate dynamic mechanism models is *** effectively model the DMO synthesis process,this study proposes a hybrid modeling strategy that integrates process mechanisms and data-driven *** CO gas-phase catalytic coupling mechanism model is developed based on intrinsic kinetics and material balance,while a long short-term memory(LSTM)neural network is employed to predict the macroscopic reaction rate by leveraging temporal relationships derived from archived *** proposed model is trained semi-supervised to accommodate limited-label data scenarios,leveraging historical *** integrating these predictions with the mechanism model,the hybrid modeling approach provides reliable and interpretable forecasts of mass *** investigations unequivocally validate the superiority of the proposed hybrid modeling approach over conventional data-driven models(DDMs)and other hybrid modeling techniques.

关键词： Carbon monoxide Dynamic modeling Hybrid model Reaction kinetics Semi-supervised learning

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Clinical and genomic analysis of baseline and acquired MET fusions with an intact kinase domain in lung cancer patients

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Genes & Diseases 2024年第1期11卷 76-79页

作者： bo Jin Yutong Ma Qian Wu Qiuxiang Ou Yang shao Shun Xu Department of Medical Oncology The First Hospital of China Medical UniversityShenyangLiaoning 110001China Geneseeq Research Institute Nanjing Geneseeq Technology Inc.NanjingJiangsu 210000China School of Public Health Nanjing Medical UniversityNanjingJiangsu 211166China Department of Thoracic Surgery The First Hospital of China Medical UniversityShenyangLiaoning110001China

MET gene alterations in lung cancer patients mainly include exon 14 skipping and gene amplification,which are the key therapeutic targets and drive resistance to tyrosine kinase inhibitors(TKls).1 However,the structural variants of MET,such as MET fusions,are much rarer(0.26%),as reported in a Chinese non-small cell lung cancer(NSCLC)cohort.2 Several recurrent MET fusions,such as KIF5B-MET and HLADRB1-MET,were reported as oncogenic drivers and showed favorable responses to crizotinib.

关键词： lung patients alterations

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What benefit can be obtained from magnetic resonance imaging diagnosis with artificial intelligence in prostate cancer compared with clinical assessments?

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Military Medical Research 2024年第2期11卷 268-286页

作者： Li-Tao Zhao Zhen-Yu Liu Wan-Fang Xie Li-Zhi shao jian Lu Jie Tian jian-Gang Liu School of Engineering Medicine Beihang UniversityBeijing 100191China School of Biological Science and Medical Engineering Beihang UniversityBeijing 100191China CAS Key Laboratory of Molecular Imaging Institute of AutomationBeijing 100190China University of Chinese Academy of Sciences Beijing 100080China Department of Urology Peking University Third HospitalPeking UniversityBeijing 100191China Key Laboratory of Big Data‑Based Precision Medicine(Beihang University) Ministry of Industry and Information Technology of the People's Republic of ChinaBeijing 100191China Beijing Engineering Research Center of Cardiovascular Wisdom Diagnosis and Treatment Beijing 100029China

The present study aimed to explore the potential of artificial intelligence(AI)methodology based on magnetic resonance(MR)images to aid in the management of prostate cancer(PCa).To this end,we reviewed and summarized the studies comparing the diagnostic and predictive performance for PCa between AI and common clinical assessment methods based on MR images and/or clinical characteristics,thereby investigating whether AI methods are generally superior to common clinical assessment methods for the diagnosis and prediction fields of ***,we found that,in the included studies of the present study,AI methods were generally equal to or better than the clinical assessment methods for the risk assessment of PCa,such as risk stratification of prostate lesions and the prediction of therapeutic outcomes or PCa *** particular,for the diagnosis of clinically significant PCa,the AI methods achieved a higher summary receiver operator characteristic curve(SROC-AUC)than that of the clinical assessment methods(0.87 vs.0.82).For the prediction of adverse pathology,the AI methods also achieved a higher SROC-AUC than that of the clinical assessment methods(0.86 vs.0.75).Second,as revealed by the radiomics quality score(RQS),the studies included in the present study presented a relatively high total average RQS of 15.2(11.0–20.0).Further,the scores of the individual RQS elements implied that the AI models in these studies were constructed with relatively perfect and standard radiomics processes,but the exact generalizability and clinical practicality of the AI models should be further validated using higher levels of evidence,such as prospective studies and open-testing datasets.

关键词： Clinically significant prostate cancer Adverse pathology Radiomics quality score Artificial intelligence Magnetic resonance imaging

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Postoperative pneumocranium after endoscopic transnasal optic canal decompression

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International Journal of Ophthalmology(English edition) 2024年第5期17卷 973-975页

作者： Sheng-jian Lu bo Yu Wen-Can Wu The Eye Hospital School of Ophthalmology&OptometryWenzhou Medical UniversityWenzhou 325027Zhejiang ProvinceChina

Dear Editor,We present the first time,a case of a patient developed cerebrospinal fluid(CSF)leak and pneumocranium following optic canal decompression(OCD).INTRODUCTION Indirect traumatic optic neuropathy(ITON)impairs visual functions and quality of *** transnasal optic canal decompression(ETOCD)is one of the standard treatment strategies for the *** the ETOCD,the optic nerve sheath are usually incised for sufficient decompression of optic nerve after removal of optic canal,which is associated with complications like CSF leakage,ophthalmic artery injury,and optic nerve injury[1].Generally,the mild CSF leak is common and can heal spontaneously using conventional treatment,the severe CSF leak requires surgical repair[2].

关键词： decompression nasal traumatic

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Understanding the Thermal Impedance of Silicone Rubber/Hexagonal boron Nitride Composites as Thermal Interface Materials

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Chinese Journal of Polymer Science 2024年第3期42卷 352-363,I0008页

作者： Yuan Ji Shi-Da Han Hong Wu shao-Yun Guo Feng-Shun Zhang jian-Hui Qiu The State Key Laboratory of Polymer Materials Engineering Sichuan Provincial Engineering Laboratory of Plastic/Rubber Complex Processing TechnologyPolymer Research InstituteSichuan UniversityChengdu 610065China Institute of Chemical Materials China Academy of Engineering PhysicsMianyang 621900China Department of Mechanical Engineering Faculty of Systems Science and TechnologyAkita Prefectural UniversityAkita 015-0055Japan

Silicone rubber(SR) composites are most widely used as thermal interface materials(TIMs) for electronics heat dissipation. Thermal impedance as the main bottleneck limiting the performance of TIMs is usually neglected. Herein, the thermal impedance of SR composites loaded with different levels of hexagonal boron nitride(h-BN) as TIMs was elaborated for the first time by the ASTM D 5470 standard test and finite element analysis. It was found that elastic modulus and surface roughness of SR composites increased with the increase of h-BN content, indicating that the conformity was reduced. When the assembly pressure was 0.69 MPa, there existed an optimal h-BN content at which the contact resistance was minimum(0.39 K·cm^(2)·W^(-1)). Although the decreased bond line thickness(BLT) by increasing the assembly pressure was beneficial to reduce the thermal impedance, the proper assembly pressure should be selected to prevent the warpage of the contact surfaces and the increase in contact resistance, according to the compression properties of the SR composites. This study provides valuable insights into fabrication of high-performance TIMs for modern electronic device applications.

关键词： Thermal interface materials Hexagonal boron nitride Thermal impedance Surfaces

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Ni-Catalyzed Enantioselective Difunctionalization of Alkynes to Azepine Derivatives Bearing a Quaternary Center and an Unprotected Imine

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Chinese Journal of Chemistry 2024年第8期42卷 873-878页

作者： jian Long Zhiwu Lu Xiao-Lin Li Peng Xue Wen-bo Liu Engineering Research Center of Organosilicon Compounds&Materials(Ministry of Education)and College of Chemistry and Molecular Sciences Wuhan UniversityWuhanHubei430072 China

Comprehensive Summary,The azepine ring is a prominent structural scaffold in biologically significant molecules. In this study, we present a Ni(II)-catalyzed asymmetric difunctionalization of alkynes, involving intermolecular regioselective arylation and intramolecular nitrile addition, enabling the synthesis of enantioenriched azepine derivatives. This reaction simultaneously installs an all-carbon quaternary stereocenter and introduces an unprotected imine functionality, showing great promise for subsequent transformations. The reaction exhibits good tolerance toward various functional groups, resulting in high yields and enantioselectivities. The synthetic utility of this methodology is further demonstrated through gram-scale synthesis and product derivatization. This research offers an efficient approach to the synthesis of seven-membered nitrogen heterocycles.

关键词： Nickel Asymmetric catalysis N-Heterocycles Alkyne functionalization Quaternary centers

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Capacity Allocation of Renewable Energy Sources Considering Complementarity

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CSEE Journal of Power and Energy Systems 2024年第4期10卷 1415-1426页

作者： Yinzhe Hu Kaigui Xie bo Hu Hengming Tai Changzheng shao Chunyan Li Xueying Yu State Key Laboratory of Power Transmission Equipment and System Security at the Chongqing University Chongqing 400030China Department of Electrical and Computer Engineering University of TulsaTulsaOK 74104USA

The outputs of renewable energy sources(RESs)are inherently variable and uncertain,such as wind power(WP)and photovoltaic(PV).However,the outputs of various types of RESs in different regions are *** the capacity of RESs could be properly allocated during system planning,variability of the total output could be ***,system reliability and renewable energy(RE)consumption could be *** paper proposes an analytical model for optimal complementary capacity allocation of RESs to decrease variability of the total *** model considers the capacity ratio of RESs as decision variables and the coefficient of variation(CV)of the total output as the objective *** proposed approach transforms the single-level optimization model into a bilevel optimization model and derives an analytical equation that can directly calculate the optimal complementary capacity ratio(OCCR)of system *** studies on wind and solar farms in Xinjiang and Qinghai,China,are performed to verify the effectiveness of the proposed analytical allocation method.

关键词： Analytical equation capacity allocation complementary optimization renewable energy variability

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Processing of a low-costγ-γ'NiPtAl coating with improved oxidation resistance

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Rare Metals 2024年第6期43卷 2832-2841页

作者： Yan jiang Liang-Liang Wei jian He Hong-bo Guo School of Materials Science and Engineering Beihang UniversityBeijing 100191China Key Laboratory of High-Temperature Structural Materials and Protective Coatings Ministry of Industry and Information TechnologyBeihang UniversityBeijing 100191China

A novelγ-γ'(Ni solid solution—Ni_(3)Al)NiPtAl coating was produced on advanced single-crystal(SC)superalloy N5 by electroplating of a thin Pt coating with~3μm in thickness followed by heat treatment at 1000℃in *** comparison,a traditionalγ-γ'NiPtAl coating was also produced by electroplating of a thick Pt coating with~6μm in thickness followed by heat treatment at 1100℃in *** novel coating has a mass gain of~0.5 mg·cm^(-2)after 100 h 1-h cyclic oxidation at 1150℃,showing better oxidation resistance than the traditional *** oxide scale mostly consisting ofα-Al_(2)O_(3)grew on the novel coating because the element Cr from the SC alloy substrate contributes to the formation ofα-Al_(2)O_(3).Pt content in the novel coating has significant effect on the oxidation *** optimized Pt content in the coating is about 16 at%,which is helpful to reduce the diffusion of harmful elements from the substrate into the coating but also to reduce the cost of the coating.

关键词： γ-γ'NiPtAl coating Platinum Oxidation Al_(2)O_(3) Superalloy

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Generating electron spin qubit in metal-organic frameworks via spontaneous hydrolysis

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Chinese Chemical Letters 2024年第7期35卷 529-533页

作者： Xian-Fa jiang Chongyun shao Zhongwen Ouyang Zhao-bo Hu Zhenxing Wang You Song State Key Laboratory of Coordination Chemistry School of Chemistry and Chemical EngineeringNanjing UniversityNanjing 210023China Wuhan National High Magnetic Field Center&School of Physics Huazhong University of Science and TechnologyWuhan 430074China Chaotic Matter Science Research Center Faculty of Materials Metallurgy and ChemistryJiangxi University of Science and TechnologyGanzhou 341000China Shanghai Institute of Optics and Fine Mechanics Chinese Academy of SciencesShanghai 201800China jiangxi Provincial Key Laboratory of Functional Molecular Materials Chemistry Jiangxi University of Science and TechnologyGanzhou 341000China

Qubit,as the basic unit of quantum operations,has at least two quantum states for *** itself has no superimposable quantum states,but after injecting N atoms,the resulted nitrogenvacancy centers form excellent-performance *** the same purpose,we can also obtain qubits by modifying the matrix without effective quantum ***-1({Cu_(3)(BTC)_(2)(H_(2)O)_(3)},BTC=1,3,5-benzene-tricarboxylate)with S=0 ground state is electron paramagnetic resonance(EPR)silent,so it is not a qubit ***,the spontaneously hydrolyzed HKUST-1 produces dilute uncoupled Cu^(Ⅱ)ions with S=1/*** this paper,we utilized the hydrolysis products of HKUST-1 to obtain qubits and assembled a core-shell structural HKUST-1@ZIF-8 by ZIF-8({Zn(mim)_(2)},mim=2-methylimidazole)coated over HKUST-1 for controlling the *** experimental results clearly show that the qubits come from hydrolyzed Cu^(Ⅱ)***,the dilute uncoupled Cu^(Ⅱ)ions in this assembly can effectively reduce the decoherence of *** EPR studies show that the T_(2) of this compound is 1067 ns at 10 K.

关键词： Hydrolysis Qubit Decoherent times Metal-organic framework Core-shell structure

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BaCe_(0.8)Fe_(0.1)Ni_(0.1)O_(3−δ)-impregnated Ni-GDC by phase-inversion as an anode of solid oxide fuel cells with on-cell dry methane reforming

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Journal of Advanced Ceramics 2024年第6期13卷 834-841页

作者： Yanya Liu Jun Luo Cheng Li bo Liu Dong Yan jian Li Lichao Jia School of Materials Science and Engineering State Key Laboratory of Materials Processing and Die&Mould TechnologyHuazhong University of Science and TechnologyWuhan 430074China

BaCe_(0.8)Fe_(0.1)Ni_(0.1)O_(3−δ)(BCFN)in a perovskite structure is impregnated consecutively by BCFN solution and BCFN suspension into a phase-inversion prepared NiO–Gd_(0.1)Ce_(0.9)O_(2−δ)(GDC)scaffold as an anode for solid oxide fuel cells(SOFCs)with on-cell dry reforming of methane(DRM).The whole pore surface of the scaffold is covered by small BCFN particles formed by BCFN solution impregnation;the large pores near the scaffold surface are filled by BCFN aerogels with a high specific surface area produced by BCFN suspension impregnation,which act as a catalytic layer for on-cell *** reduction,the anode consists of a Ni–GDC scaffold and BCFN particles with exsolved FeNi3 *** BCFN-impregnated Ni–GDC anode has higher electrical conductivity,electrochemical activity,and resistance to carbon deposition,with which the cell shows maximum power densities between 1.44 and 0.92 W·cm^(−2) when using H_(2) and between 1.09 and 0.50 W·cm^(−2) when using CO_(2)–CH_(4) at temperatures ranging from 750 to 600℃.A stable performance at 400 mA·cm^(−2) and 700℃is achieved using 45%CO_(2)–45%CH_(4)–10%N_(2) for more than 400 h without carbon deposition,benefiting from the impregnated BCFN aerogel with a high specific surface area and water adsorbability.

关键词： aerogel solid oxide fuel cells(SOFCs) phase-inversion dry reforming of methane(DRM) carbon resistance

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