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Modeling solubility of oxaprozin and irbesartan in biorelevant complex solutions based on a combination of pH-dependent and micellar solubilization models

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CHINESE JOURNAL OF CHEMICAL ENGINEERING 2024年第8期72卷 34-43页

作者： shen, chen Ji, Yuanhui Southeast Univ Sch Chem & Chem Engn Jiangsu Prov Hitech Key Lab Biomed Res Nanjing 211189 Peoples R China

Biological solubility is one of the important basic parameters in the development process of poorly soluble drugs, but the current measurement methods are mainly based on a large number of experiments, which are time-consuming and cost-intensive. There is still a lack of effective theoretical models to accurately describe and predict the biological solubility of drugs to reduce costs. Therefore, in this study, osaprazole and irbesartan were selected as model drugs, and their solubility in solutions containing surfactants and biorelevant media was measured experimentally. By calculating the parameters of each component using the perturbed-chain statistical associating fluid theory (PC-SAFT) model, combined with pH-dependent and micellar solubilization models, the thermodynamic phase behavior of the two drugs was successfully modeled, and the predicted results were in good agreement with the experimental values. These results demonstrate that the model combination used provides important basic parameters and theoretical guidance for the development and screening of poorly soluble drugs and related formulations. (c) 2024 The Chemical Industry and Engineering Society of China, and Chemical Industry Press Co., Ltd. All rights are reserved, including those for text and data mining, AI training, and similar technologies.

关键词： Biorelevant media pH -dependent solubility Micellar solubilization PC-SAFT Active pharmaceutical ingredients POLYCYCLIC AROMATIC-HYDROCARBONS HUMAN GASTROINTESTINAL-TRACT PERTURBED-CHAIN SAFT THERMODYNAMIC MODEL DISSOLUTION MEDIA DRUG SURFACTANT TEMPERATURE BEHAVIOR SALT

On the half-quantized Hall conductance of massive surface electrons in magnetic topological insulator films

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Science China(Physics,Mechanics & Astronomy) 2024年第6期67卷 127-136页

作者： Rui chen Shun-Qing shen Department of Physics The University of Hong KongHong Kong 999077China Department of Physics Hubei UniversityWuhan 430062China

In topological insulators,massive surface states resulting from local symmetry breaking were thought to exhibit a half-quantized Hall conductance,obtained from the low-energy effective model in an infinite Brillouin *** a lattice model,the surface band is composed of a combination of surface states and bulk *** massive surface states alone may not be enough to support an exact one-half quantized surface Hall conductance in a finite Brillouin zone and the whole surface band always gives an integer quantized Hall conductance as enforced by the TKNN *** explore this,we investigate the band structures of a lattice model describing the magnetic topological insulator film that supports the axion insulator,Chern insulator,and semi-magnetic topological insulator *** reveal that the gapped and gapless surface bands in the three phases are characterized by an integer-quantized Hall conductance and a half-quantized Hall conductance,*** propose an effective model to describe the three phases and show that the low-energy dispersion of the surface bands inherits from the surface Dirac *** gapped surface band manifests a nearly half-quantized Hall conductance at low energy near the center of Brillouin zone,but is compensated by another nearly half-quantized Hall conductance at high energy near the boundary of Brillouin zone because a single band can only have an integer-quantized Hall *** gapless band hosts a zero Hall conductance at low energy but is compensated by another half-quantized Hall conductance at high energy,and thus the half-quantized Hall conductance can only originate from the gapless ***,we calculate the layer-resolved Hall conductance of the *** conclusion suggests that the individual gapped surface band alone does not support the half-quantized surface Hall effect in a lattice model.

关键词： magnetic topological insulator Dirac equation half-quantized Hall conductance

Exploring Long-Memory Process in the Prediction of Interval-Valued Financial Time Series and Its Application

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Journal of Systems Science & Complexity 2024年第2期37卷 759-775页

作者： shen Tingting TAO Zhifu chen Huayou School of Economics Anhui UniversityHefei 230601China Center for Financial and Statistical Research Anhui UniversityHefei 230061China Stony Brook Institute at Anhui University Anhui UniversityHefei 230601China Center for Applied Mathematics Anhui UniversityHefei 230601China

Long-memory process has been widely studied in classical financial time series analysis,which has merely been reported in the field of interval-valued financial time *** aim of this paper is to explore long-memory process in the prediction of interval-valued time series(IvTS).To model the long-memory process,two novel interval-valued time series prediction models named as interval-valued vector autoregressive fractionally integrated moving average(IV-VARFIMA)and ARFIMAX-FIGARCH were *** the developed long-memory pattern,both of the short term and long-term influences contained in IvTS can be *** an application of the proposed models,interval-valued form of WTI crude oil futures price series is *** to current IvTS prediction models,IV-VARFIMA and ARFIMAX-FIGARCH can provide better in-sample and out-of-sample forecasts.

关键词： ARFIMAX-FIGARCH interval-valued time series IV-VARFIMA long-memory process WTI crude oil futures price

A Systematic Analysis of Early Life Exposure to the Chinese Famine(1959-1961)and the Health of Older Adults-China,2008-2023

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China CDC weekly 2024年第11期6卷 203-207,I0001-I0003页

作者： Chi shen Xi chen School of Public Policy and Administration Xi’an Jiaotong UniversityXi’an CityShaanxi ProvinceChina Department of Health Policy and Management Yale School of Public HealthNew HavenCTU.S Department of Economics Yale UniversityNew HavenCTU.S

What is already known about this topic?There is mounting evidence indicating that the aging process initiates during early life stages,with in utero the individual’s environment playing a significant ***,it is crucial to comprehend the enduring effects of early life circumstances on health in old *** is added by this report?In this study,we conducted a meta-analysis to examine the effects of the Chinese Famine(1959–1961)on the health of older *** also explored potential mechanisms underlying these *** are the implications for public health practice?The complex interplay between early life circumstances,multiple health-related sectors,and healthy aging necessitates a comprehensive life-course approach and strategic interventions to enhance public health in an aging society.

关键词： life aging mount

Analytical computation of magnetic field in coil-dominated superconducting quadrupole magnets based on racetrack coils

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Nuclear Science and Techniques 2024年第4期35卷 119-135页

作者： Chuang shen Ying-Shun Zhu Fu-San chen China Spallation Neutron Source Institute of High Energy PhysicsChinese Academy of Sciences1 Zhongziyuan RoadDongguan 523000China Institute of High Energy Physics Chinese Academy of Sciences19B Yuquan RoadBeijing 100049China University of Chinese Academy of Sciences Beijing 100049China

Currently,three types of superconducting quadrupole magnets are used in particle accelerators:cos 2θ,CCT,and ***,all three coil configurations have complex spatial geometries,which make magnet manufacturing and strain-sensitive superconductor applications *** with the three existing quadrupole coils,the racetrack quadrupole coil has a simple shape and manufacturing process,but there have been few theoretical *** this paper,the two-dimensional and three-dimensional analytical expressions for the magnetic field in coil-dominated racetrack superconducting quadrupole magnets are *** analytical expressions of the field harmonics and gradient are fully resolved and depend only on the geometric parameters of the coil and current ***,a genetic algorithm is applied to obtain a solution for the coil geometry parameters with field harmonics on the order of 10^(-4).Finally,considering the practical engineering needs of the accelerator interaction region,electromagnetic design examples of racetrack quadrupole magnets with high gradients,large apertures,and small apertures are described,and the application prospects of racetrack quadrupole coils are analyzed.

关键词： Superconducting quadrupole magnet Racetrack coil Multipole field Genetic algorithm Magnetic design

Study on thermal decomposition kinetics of azobenzene-4,4′-dicarboxylic acid by using compensation parameter method and nonlinear fitting evaluation

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Chinese Journal of Chemical Engineering 2024年第6期70卷 269-279页

作者： Shuyi shen Song Guo Sining chen Jinhua Zhao Nanjing University of Science&Technology Nanjing 210094China China Academy of Safety Science and Technology Beijing 100012China

Recently,azobenzene-4,4'-dicarboxylic acid(ADCA)has been produced gradually for use as an organic synthesis or pharmaceutical intermediate due to its eminent *** large quantities put into application in the future,the thermal stability of this substance during storage,transportation,and use will become quite ***,in this work,the thermal decomposition behavior,thermal decomposition kinetics,and thermal hazard of ADCA were *** were conducted by using a SENSYS evo DSC device.A combination of differential iso-conversion method,compensation parameter method,and nonlinear fitting evaluation were also used to analyze thermal kinetics and mechanism of ADCA *** results show that when conversion rate α increases,the activation energies of ADCA's first and main decomposition peaks *** amount of heat released during decomposition varies between 182.46 and 231.16 J·g^(-1).The proposed kinetic equation is based on the Avrami-Erofeev model,which is consistent with the decomposition *** the Frank-Kamenetskii model,a calculated self-accelerating decomposition temperature of 287.0℃is obtained.

关键词： Azobenzene-4,4′-dicarboxylic acid Thermal decomposition behavior Kinetic mechanism Thermal hazard evaluation Compensation parameter effect

Theoretical Analysis of Cooperative Driving at Idealized Unsignalized Intersections

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Tsinghua Science and Technology 2024年第1期29卷 257-270页

作者： shen Li Jiawei Zhang Zhenwu chen Li Li Department of Civil Engineering Tsinghua UniversityBeijing 100084China Department of Automation Tsinghua UniversityBeijing 100084China shenzhen Urban Transport Planning Center Co. Ltd.Shenzhen 518000China

Cooperative driving is widely viewed as a promising method to better utilize limited road resources and alleviate traffic *** recent years,several cooperative driving approaches for idealized traffic scenarios(i.e.,uniform vehicle arrivals,lengths,and speeds)have been ***,theoretical analyses and comparisons of these approaches are *** this study,we propose a unified group-by-group zipper-style movement model to describe different approaches synthetically and evaluate their *** derive the maximum throughput for cooperative driving plans of idealized unsignalized intersections and discuss how to minimize the delay of *** obtained conclusions shed light on future cooperative driving studies.

关键词： cooperative driving connected and automated vehicles unsignalized intersection

Highly selective electrosynthesis of 3,4-dihydroisoquinoline accompanied with hydrogen production over three-dimensional hollow CoNi-based microarray electrocatalysts

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Nano Research 2024年第4期17卷 2509-2519页

作者： Yu Xin Liyu chen Yingwei Li Kui shen Guangdong Provincial Key Lab for Green Chemical Product Technology School of Chemistry and Chemical EngineeringSouth China University of TechnologyGuangzhou 510640China State Key Laboratory of Pulp and Paper Engineering School of Chemistry and Chemical EngineeringSouth China University of TechnologyGuangzhou 510640China

Electrocatalytic oxidation reaction of biomass-based derivatives is an excellent candidate to replace water oxidation for obtaining both value-added products and hydrogen(H_(2)),but the exploration of competent electrocatalysts is still highly ***,two new types of three-dimensional self-supported hollow microarrays containing CoNi layered double hydroxide(CoNi-LDH)and N-doped carbon nanosheets decorated with CoNi alloyed nanoparticles(CoNi-NC)on carbon cloth(CC)are prepared,which are further used as efficient electrocatalysts for tetrahydroisoquinoline(THIQ)electrooxidation and hydrogen evolution reaction(HER),*** demonstrate that the Co-modulated electronic environment for Ni(II)/Ni(Ⅲ)redox-looping in CoNi-LDH is the main factor to boost the selectivity of 3,4-dihydroisoquinoline(DHIQ)for the indirect electrooxidation process of *** functional theory(DFT)calculations reveal that the Ni(Ⅲ)/Co(Ⅲ)dual sites of CoNi-LDH exhibit enhanced adsorption for THIQ but poorer adsorption for DHIQ compared to pure Co(Ⅲ)or Ni(Ⅲ).Therefore,the Ni(Ⅲ)/Co(Ⅲ)dual sites can effectively inhibit the peroxidation of DHIQ to isoquinoline(IQ)over CoNi-LDH,thus improving the selectivity of DHIQ to nearly 100%,much higher than that of its pure Ni ***,CC@CoNi-NC can deliver high HER activity with low overpotential(40 mV@10 mA·cm^(-2))and high exchange current density(3.08 mA·cm^(-2)).Impressively,the assembled flow-cell device with CC@CoNi-LDH anode and CC@CoNi-NC cathode only requires low cell voltage and electricity consumption of 1.6 V and 3.50 kWh per cubic meter of H_(2)(@25 mA·cm^(-2)).

关键词： highly selective electrosynthesis dihydroisoquinolines hydrogen evolution reaction metal-organic frameworks hollow microarrays

Progress on the glassy-crystal laminates:From design,microstructure to deformation and future solutions

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Journal of Materials Science & Technology 2024年第5期172卷 113-144页

作者： Yu chen Ronggao Cui Jun shen Gang Wang College of Mechatronics and Control Engineering Shenzhen UniversityShenzhen 518060China College of Physics and Optoelectronic Engineering Shenzhen UniversityShenzhen 518060China Department of Motor Design Business Weichai New Energy Technology Co.Ltd.Weifang 261061China Guangdong Key Laboratory of Electromagnetic Control and Intelligent Robots Shenzhen UniversityShenzhen 518060China Laboratory for Microstructures Institute of MaterialsShanghai UniversityShanghai 200444China

The development of new design strategies to create innovative structural materials,refine existing ones,and achieves compatible combinations of strength and plasticity remains a worldwide *** alloys,such as shape memory alloys(SMAs),bulk metallic glasses(BMGs),high entropy alloys(HEAs),and heterogeneous pure metals such as Cu,have excellent mechanical responses,but they still fall short of meeting all the requirements of structural materials due to specific flaws,such as lack of tensile de-formation for BMGs and low yielding strength for *** address these shortcomings,proposals such as integrating glassy matrices and crystallized alloys,such as HEAs/SMAs,have been ***,these solutions have unresolved issues,such as the challenging control of B2 phase formation in BMG ***,glass-crystal(A/C)laminated alloys with alternating layers have been reported to exhibit improved mechanical properties and activated work-hardening behaviors,but they still face press-ing issues such as bonding interfaces and unknown deformation *** review focuses on design routes such as the selection of alloy components and processing techniques,exploration of micro-structural evolution and deformation modes with an increase in strain,and future solutions to address pressing and unsolved *** prominent advantages include diversified deformation mechanisms,such as deformation twinning,martensitic phase transformation,and precipitation hardening,as well as tuned interactive reactions of shear bands(SBs)near the A/C ***,this review provides a promising pathway to design and develop structural materials in the materials field community.

关键词： Glassy-crystal laminates Bulk metallic glasses High entropy alloys Shape memory alloys Microstructure Deformation mechanisms Future solutions