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Neuroscience Bulletin 2024年第4期40卷 553-556页

作者： Yuan Dong Li Tang Neuropsychiatry Research institute The Affiliated Hospital of Qingdao UniversityQingdao UniversityQingdao266000China qingdao institute of measurement technology Qingdao266000China

Neurodegenerative diseases,including Alzheimer's disease(AD)and Parkinson's disease(PD),are the most common causes of *** drugs for such diseases can only provide temporary help with the symptoms,leaving the discovery of new drugs urgently in *** cells are the local immune cells in the nervous system and have been recognized as the key player in neuroinflammation that contributes to the process of neurodegeneration[1],raising the discussion of aiming microglia as the therapeutic target for clinical treatment of neurodegenerative diseases.

关键词： inflammation degenerative drugs

Phase equilibrium data prediction and process optimizationin butadiene extraction process

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Chinese Journal of Chemical Engineering 2024年第7期71卷 1-12页

作者： Baowei Niu Yanjie Yi Yuwen Wei Fuzhen Zhang Lili Wang Li Xia Xiaoyan Sun Shuguang Xiang institute of Process System Engineering College of Chemical EngineeringQingdao University of Science and TechnologyQingdao 266042China

In response to the lack of reliable physical parameters in the process simulation of the butadiene extraction,a large amount of phase equilibrium data were collected in the context of the actual process of butadiene production by *** accuracy of five prediction methods,UNIFAC(UNIQUAC Functional-group Activity Coefficients),UNIFAC-LL,UNIFAC-LBY,UNIFAC-DMD and COSMO-RS,applied to the butadiene extraction process was verified using partial phase equilibrium *** results showed that the UNIFAC-DMD method had the highest accuracy in predicting phase equilibrium data for the missing ***-RS-predicted multiple systems showed good accuracy,and a large number of missing phase equilibrium data were estimated using the UNIFAC-DMD method and COSMO-RS *** predicted phase equilibrium data were checked for *** NRTL-RK(non-Random Two Liquid-Redlich-Kwong Equation of State)and UNIQUAC thermodynamic models were used to correlate the phase equilibrium *** device simulations were used to verify the accuracy of the thermodynamic model applied to the butadiene extraction *** simulation results showed that the average deviations of the simulated results using the correlated thermodynamic model from the actual values were less than 2%compared to that using the commercial simulation software,Aspen Plus and its *** average deviation was much smaller than that of the simulations using the Aspen Plus database(>10%),indicating that the obtained phase equilibrium data are highly accurate and *** best phase equilibrium data and thermodynamic model parameters for butadiene extraction are *** improves the accuracy and reliability of the design,optimization and control of the process,and provides a basis and guarantee for developing a more environmentally friendly and economical butadiene extraction process.

关键词： Butadiene extraction Phase equilibrium data Prediction methods Thermodynamic modeling Process simulation

A projected Newton algorithm based on chemically allowed interval for chemical equilibrium computations

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Frontiers of Chemical Science and Engineering 2024年第3期18卷 25-37页

作者： Hongbin Lu Shaohui Tao Xiaoyan Sun Li Xia Shuguang Xiang institute of Process Systems Engineering College of Chemical EngineeringQingdao University of Science and TechnologyQingdao266042China

The chemical equilibrium equations utilized in reactive transport modeling are complex and nonlinear,and are typically solved using the Newton-Raphson *** this algorithm is known for its quadratic convergence near the solution,it is less effective far from the solution,especially for ill-conditioned *** such cases,the algorithm may fail to converge or require excessive *** address these limitations,a projected Newton method is introduced to incorporate the concept of *** method constrains the Newton step by utilizing a chemically allowed interval that generates feasible descending ***,we utilize the positive continuous fraction method as a preconditioning technique,providing reliable initial values for solving the *** numerical results are compared with those derived using the regular Newton-Raphson method,the Newton-Raphson method based on chemically allowed interval updating rules,and the bounded variable least squares method in six different test *** numerical results highlight the robustness and efficacy of the proposed algorithm.

关键词： chemical equilibrium reactive transport modeling numerical methods projected Newton method

Progress and perspective on rechargeable magnesium-ion batteries

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Science China Chemistry 2024年第1期67卷 214-246页

作者： Guixin Wang Zhechen Wang Hucheng Shi Aobing Du Mingliang Sun Guanglei Cui School of Materials Science and Engineering Ocean University of ChinaQingdao 266100China qingdao Industrial Energy Storage Research institute Qingdao Institute of Bioenergy and Bioprocess TechnologyChinese Academy of SciencesQingdao 266101China

Current electrochemical energy storage technology has evolved a variety of rechargeable battery ***,the resource shortage of raw materials in commercially available lithium-ion batteries has attracted widespread *** requirements to meet resourcefulness,sustainability,safety,and high energy density have motivated the development of rechargeable magnesium-ion batteries(RMBs).Although RMBs have made significant progress so far,there are still many obstacles to practical *** systematically summarize the significant progress and the latest research on RMBs,including Mg^(2+)-conducting electrolytes,Mg^(2+)-storage cathodes,and Mg-based *** this review,we mainly introduce the properties and features of various Mg^(2+)-conductive electrolytes,the mainstream cathode materials,and their respective Mg^(2+)-storage mechanisms,as well as the Mg metal(or alloy)anodes and the corresponding modification ***,the future directions in various key components for RMBs are highlighted.

关键词： rechargable magenisum-ion batteries electrolytes cathodes anodes

Evolution of copper species during heat treatment and its effect on CO oxidation reaction on CuCeZrO_(y) catalyst synthesized by a facile solvent-free route

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Journal of Rare Earths 2024年第4期42卷 660-667页

作者： Guangying Fu Dongsen Mao Jun Yu Qiangsheng Guo School of Chemical and Environmental Engineering Shanghai Institute of TechnologyShanghai21418 China The ZeoMat Group Qingdao Institute of Bioenergy and Bioprocess TechnologyCASQingdao26611China

Several ternary oxides CuCeZrO_(y)(CCZ)were synthesized by a facile grinding method followed by calcination at high temperatures,and used as catalysts for CO oxidation at low *** influences of calcination temperature(400-600℃)on the physicochemical properties of the assynthesized ternary oxides were investigated by thermogravimetric analysis/differential scanning calorimetry(TGA/DSC),X-ray diffraction(XRD),transmission electron microscopy(TEM),Raman,inductively coupled plasma-optical emission spectrometry(ICP-OES),N_(2) adsorption,H_(2)-temperature programmed reduction(H_(2)-TPR),and X-ray photoelectron spectroscopy(XPS)*** results show that the increase in calcination temperature from 400 to 500℃is conducive to the high dispersion of CuOx on catalyst surface and the incorporation of Cu species into the support to form the Cu-Ce-Zr-O solid *** raising of calcination temperature from 500 to 600℃,however,leads to the segregation of Cu species from the solid solution to aggregate on support surface and growth of highly dispersed CuOx *** highest catalytic activity is acquired over the CCZ calcined at 500℃,which can be ascribed to the largest contents of Cu+species and oxygen vacancies owing to the formation of the maximum amount of Cu-Ce-Zr-O solid solution.

关键词： CuCeZrO_(y)catalyst co oxidation Calcination temperature Grinding method Oxalate precursor Rare earths

Design of a novel hybrid quantum deep neural network in INEQR images classification

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Chinese Physics B 2024年第6期33卷 230-238页

作者：王爽王柯涵程涛赵润盛马鸿洋郭帅 School of Information and Control Engineering Qingdao University of TechnologyQingdao 266033China School of Sciences Qingdao University of TechnologyQingdao 266033China

We redesign the parameterized quantum circuit in the quantum deep neural network, construct a three-layer structure as the hidden layer, and then use classical optimization algorithms to train the parameterized quantum circuit, thereby propose a novel hybrid quantum deep neural network(HQDNN) used for image classification. After bilinear interpolation reduces the original image to a suitable size, an improved novel enhanced quantum representation(INEQR) is used to encode it into quantum states as the input of the HQDNN. Multi-layer parameterized quantum circuits are used as the main structure to implement feature extraction and classification. The output results of parameterized quantum circuits are converted into classical data through quantum measurements and then optimized on a classical computer. To verify the performance of the HQDNN, we conduct binary classification and three classification experiments on the MNIST(Modified National institute of Standards and technology) data set. In the first binary classification, the accuracy of 0 and 4 exceeds98%. Then we compare the performance of three classification with other algorithms, the results on two datasets show that the classification accuracy is higher than that of quantum deep neural network and general quantum convolutional neural network.

关键词： quantum computing image classification quantum–classical hybrid neural network quantum image representation interpolation

Quantum generative adversarial networks based on a readout error mitigation method with fault tolerant mechanism

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Chinese Physics B 2024年第4期33卷 285-295页

作者：赵润盛马鸿洋程涛王爽范兴奎 School of Sciences Qingdao University of TechnologyQingdao 266033China School of Information and Control Engineering Qingdao University of TechnologyQingdao 266033China

Readout errors caused by measurement noise are a significant source of errors in quantum circuits,which severely affect the output results and are an urgent problem to be solved in noisy-intermediate scale quantum(NISQ)*** this paper,we use the bit-flip averaging(BFA)method to mitigate frequent readout errors in quantum generative adversarial networks(QGAN)for image generation,which simplifies the response matrix structure by averaging the qubits for each random bit-flip in advance,successfully solving problems with high cost of measurement for traditional error mitigation *** experiments were simulated in Qiskit using the handwritten digit image recognition dataset under the BFA-based method,the Kullback-Leibler(KL)divergence of the generated images converges to 0.04,0.05,and 0.1 for readout error probabilities of p=0.01,p=0.05,and p=0.1,***,by evaluating the fidelity of the quantum states representing the images,we observe average fidelity values of 0.97,0.96,and 0.95 for the three readout error probabilities,*** results demonstrate the robustness of the model in mitigating readout errors and provide a highly fault tolerant mechanism for image generation models.

关键词： readout errors quantum generative adversarial networks bit-flip averaging method fault tolerant mechanisms

Geometric quality evaluation of three-dimensional printable concrete using computational fluid dynamics

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Frontiers of Structural and Civil Engineering 2024年第7期18卷 963-976页

作者： Weijiu CUI Haijun SUN Jiangang ZHOU Sheng WANG Xinyu SHI Yaxin TAO Department of Civil Engineering Qingdao University of TechnologyQingdao 266000China Innovation institute for Sustainable Maritime Architecture Research and technology Qingdao University of TechnologyQingdao 266000China Intelligent Construction Lab Qingdao University of TechnologyQingdao 266000China Shandong Zhaojin Industrial Development Co. Ltd.Yantai 264000China Architectural Engineering institute Weifang Engineering Vocational CollegeWeifang 261000China Qingjian Group Co. Ltd.Qingdao 266000China College of Architecture and Urban Planning Qingdao University of TechnologyQingdao 266000China Department of Structural Engineering and Building Materials Ghent UniversityGhent 9000Belgium institute of Building Materials ETH ZurichZurich 8064Switzerland

The importance of geometrical control of three dimensional(3D)printable concrete without the support of formwork is widely *** this study,a numerical model based on computational fluid dynamics was developed to evaluate the geometrical quality of a 3D printed *** numerical results were compared,using image analysis,with physical cross-sectional sawn *** influence of printing parameters(printing speed,nozzle height,and nozzle diameter)and the rheological behavior of printed materials(yield stress),on the geometrical quality of one printed layer was *** addition,the yield zone of the printed layer was analyzed,giving insights on the critical factors for geometrical control in 3D concrete *** indicated that the developed model can precisely describe the extrusion process,as well as the cross-sectional quality.

关键词： digital fabrication 3D concrete printing geometric quality computational fluid dynamics printing parameters yield stress

Contrasts of bimodal tropical instability waves(TIWs)-induced wind stress perturbations in the Pacific Ocean among observations,ocean models,and coupled climate models

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Journal of Oceanology and Limnology 2024年第1期42卷 1-23页

作者： Kai MA Chuanyu LIU Junli XU Fan WANG School of Mathematics and Physics Research Institute for Mathematics and Interdisciplinary SciencesQingdao University of Science and TechnologyQingdao 266100China Key Laboratory of Ocean Circulation and Waves Institute of OceanologyChinese Academy of SciencesQingdao 266071China Pilot National Laboratory for Marine Science and technology(qingdao) Qingdao 266237China

The coupling between wind stress perturbations and sea surface temperature(SST)perturbations induced by tropical instability waves(TIWs)in the Pacific Ocean has been revealed previously and proven crucial to both the atmosphere and ***,an overlooked fact by previous studies is that the loosely defined“TIWs”actually consist of two modes,including the Yanai wave-based TIW on the equator(hereafter eTIW)and the Rossby wave-based TIW off the equator(hereafter vTIW).Hence,the individual feedbacks of the wind stress to the bimodal TIWs remain *** this study,individual coupling relationships are established for both eTIW and v TIW,including the relationship between the TIW-induced SST perturbations and two components of wind stress perturbations,and the relationship between the TIW-induced wind stress perturbation divergence(curl)and the downwind(crosswind)TIW-induced SST *** show that,due to different distributions of eTIW and vTIW,the coupling strength induced by the eTIW is stronger on the equator,and that by the vTIW is stronger off the *** results of any of eTIW and vTIW are higher than those of the loosely defined *** further investigated how well the coupling relationships remained in several widely recognized oceanic general circulation models and fully coupled climate ***,the coupling relationships cannot be well represented in most numerical ***,we confirmed that higher resolution usually corresponds to more accurate ***,the coupling models established in this study are complementary to previous research and can be used to refine the oceanic and coupled climate models.

关键词： bimodal tropical instability waves mesoscale air-sea interaction coupled models Yanai wave

Propeller-shaped NI isomers of cathode interfacial material for efficient organic solar cells

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Nano Research 2024年第3期17卷 1564-1570页

作者： Hao Liu Jilei Jiang Shuixing Dai Liangmin Yu Xu Zhang Xianbiao Hou Ke Gao Heqing Jiang Minghua Huang School of Materials Science and Engineering Ocean University of ChinaQingdao 266100China Open Studio for Marine Corrosion and Protection Pilot National Laboratory for Marine Science and TechnologyQingdao 266100China Science Center for Material Creation and Energy Conversion Institute of Frontier and Interdisciplinary ScienceShandong UniversityQingdao 266237China qingdao Key Laboratory of Functional Membrane Material and Membrane technology Qingdao Institute of Bioenergy and Bioprocess TechnologyChinese Academy of SciencesQingdao 266101China

Cathode interfacial materials(CIMs)stand as critical elemental in organic solar cells(OSCs),which can align energy levels,and foster ohmic contacts between the cathode and active layer of the ***,the lagging advancement in CIMs has concurrently engendered the oversight of theoretical inquiries pertaining to the impact of molecular structure on their *** into this realm,we present two propeller-shaped isomers,4,4',4''-(benzo[1,2-b:3,4-b':5,6-b'']trithiophene-2,5,8-triyl)tris(2-(3-(dimethylamino)propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione)(3ONIN)and 6,6',6''-(benzo[1,2-b:3,4-b':5,6-b'']trithiophene-2,5,8-triyl)tris(2-(3-(dimethylamino)propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione)(3PNIN),distinguished by their molecular planarity,as a promising foundation for crafting highly efficient *** study illuminates the superiority of 3PNIN with more plane structure,exemplified by its enhanced molar extinction coefficient,deeper lowest unoccupied molecular orbital(LUMO)and highest occupied molecular orbital(HOMO)energy levels,intensified self-doping effect,heightened electron mobility,and elevated conductivity,in comparison to its counterpart,*** a result,3PNIN and 3ONIN-treated OSC devices yield efficiencies of 17.73%and 16.82%,*** finding serves as a compelling validation of the critical role played by molecular planarity in influencing CIM performance.

关键词： propeller-shaped molecules naphthalimide(NI)isomers cathode interfacial materials organic solar cells