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Design method of extractant for liquid-liquid extraction based on elements and chemical bonds

Chinese Journal of Chemical Engineering 2024年第4期68卷 193-202页

作者： Yuwen Wei Chunling Zhang yue Zhang Lili Wang Li Xia Xiaoyan sun Shuguang Xiang Institute of Process System Engineering College of Chemical EngineeringQingdao University of Science and TechnologyQingdao 266042China Yantai Guobang Chemical Machinery Technology Co. Ltd.Yantai 264002China

In the petrochemical industry process, the relative volatility between the components to be separated is close to one or the azeotrope that systems are difficult to separate. Liquid-liquid extraction is a common and effective separation method, and selecting an extraction agent is the key to extraction technology research. In this paper, a design method of extractants based on elements and chemical bonds was proposed. A knowledge-based molecular design method was adopted to pre-select elements and chemical bond groups. The molecules were automatically synthesized according to specific combination rules to avoid the problem of “combination explosion” of molecules. The target properties of the extractant were set, and the extractant meeting the requirements was selected by predicting the correlation physical properties of the generated molecules. Based on the separation performance of the extractant in liquid-liquid extraction and the relative importance of each index, the fuzzy comprehensive evaluation membership function was established, the analytic hierarchy process determined the mass ratio of each index, and the consistency test results were passed. The results of case study based on quantum chemical analysis demonstrated that effective determination of extractants for the analysis of benzene-cyclohexane systems. The results unanimously prove that the method has important theoretical significance and application value.

关键词： Molecular design Element and chemical bonds Molecular simulation Thermodynamics Solvent extraction

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Novel biomarkers GEP/ABCB5 regulate response to adjuvant transarterial chemoembolization after curative hepatectomy for hepatocellular carcinoma

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Hepatobiliary & Pancreatic Diseases International 2018年第6期17卷 524-530页

作者： Charing Ching-Ning Chong Siu Tim cheung yue-sun cheung Anthony Wing-Hung Chan Stephen Lam Chan Simon Chun-Ho Yu Paul Bo-San Lai Department of Surgery Prince of Wales HospitalThe Chinese University of Hong Kong4/F Clinical Science Building30-32 Ngan Shing StreetShatinHong KongChina Department of Anatomical and Cellular Pathology State Key Laboratory in Oncology in South ChinaPrince of Wales HospitalThe Chinese University of Hong Kong30-32 Ngan Shing StreetShatinHong KongChina Department of Clinical Oncology Prince of Wales HospitalThe Chinese University of Hong Kong30-32 Ngan Shing StreetShatinHong KongChina Department of Imaging and Interventional Radiology Prince of Wales HospitalThe Chinese University of Hong Kong30-32 Ngan Shing StreetShatinHong KongChina

Background: Transarterial chemoembolization(TACE) is the most commonly used adjuvant therapy for hepatocellular carcinoma(HCC) after curative resection. Responses to TACE are variable due to tumor and patient heterogeneity. We had previously demonstrated that expression of Granulin-epithelin precursor(GEP) and ATP-dependent binding cassette(ABC)B5 in liver cancer stem cells was associated with chemoresistance. The present study aimed to evaluate the association between GEP/ABCB5 expression and response to adjuvant TACE after curative resection for HCC. Methods: Patients received adjuvant TACE after curative resection for HCC and patients received curative resection alone were identified from a prospectively collected database. Clinical samples were retrieved for biomarker analysis. Patients were categorized into 3 risk groups according to their GEP/ABCB5 status for survival analysis: low(GEP-/ABCB5-), intermediate(either GEP +/ABCB5-or GEP-/ABCB5 +) and high(GEP +/ABCB5 +). Early recurrence(recurrence within 2 years after resection) and disease-free survival were analyzed. Results: Clinical samples from 44 patients who had followed-up for more than 2 years were retrieved for further biomarker analysis. Among them, 18 received adjuvant TACE and 26 received surgery alone. Patients with adjuvant TACE in the intermediate risk group was associated with significantly better overall survival and 2-year disease-free survival than those who had surgery alone( P = 0.036 and P = 0.011, respectively). Adjuvant TACE did not offer any significant differences in the early recurrence rate, 2-year disease-free survival and overall survival for patients in low and high risk groups. Conclusions: Adjuvant TACE can only provide survival benefits for patients in the intermediate risk group(either GEP +/ABCB5-or GEP-/ABCB5 +). A larger clinical study is warranted to confirm its role in patient selection for adjuvant TACE.

关键词： Adjuvant therapy Hepatocellular carcinoma Drug transporter Transarterial chemoembolisation Granulin-epithelin precursor

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Parallel Driving with Big Models and Foundation Intelligence in Cyber-hysical-ocial Spaces

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Research 2024年第2期7卷 1-17页

作者： Xiao Wang Jun Huang Yonglin Tian Chen sun Lie Yang Shanhe Lou Chen Lv Changyin sun Fei-yue Wang School of Artificial Intelligence Anhui UniversityHefeiChina Macao University of Science and Technology MacaoChina State Key Laboratory for Management and Control of Complex Systems Institute of AutomationChinese Academy of SciencesBeijingChina MVSLab Department of Mechanical and Mechatronics EngineeringUniversity of Waterloo200 University Ave WestWaterlooON N2L3G1Canada School of Mechanical and Aerospace Engineering Nanyang Technological UniversitySingaporeSingapore

Recent years have witnessed numerous technical breakthroughs in connected and autonomous vehicles (CAVs). On the one hand, these breakthroughs have significantly advanced the development of intelligent transportation systems (ITSs);on the other hand, these new traffic participants introduce more complex and uncertain elements to ITSs from the social space. Digital twins (DTs) provide real-time, data-driven, precise modeling for constructing the digital mapping of physical-world ITSs. Meanwhile, the metaverse integrates emerging technologies such as virtual reality/mixed reality, artificial intelligence, and DTs to model and explore how to realize improved sustainability, increased efficiency, and enhanced safety. More recently, as a leading effort toward general artificial intelligence, the concept of foundation model was proposed and has achieved significant success, showing great potential to lay the cornerstone for diverse artificial intelligence applications across different domains. In this article, we explore the big models embodied foundation intelligence for parallel driving in cyber-physical-social spaces, which integrate metaverse and DTs to construct a parallel training space for CAVs, and present a comprehensive elucidation of the crucial characteristics and operational mechanisms. Beyond providing the infrastructure and foundation intelligence of big models for parallel driving, this article also discusses future trends and potential research directions, and the ?S?goals of parallel driving.

关键词： breakthrough integrate corners

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Seasonal variation of mesoscale eddy intensity in the global ocean

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Acta Oceanologica Sinica 2024年第1期43卷 48-58页

作者： Yongcan Zu yue Fang Shuangwen sun Libao Gao Yang Yang Guijun Guo First Institute of Oceanography/Key Laboratory of Marine Science and Numerical Modeling Ministry of Natural ResourcesQingdao 266061China Laboratory for Regional Oceanography and Numerical Modeling Laoshan LaboratoryQingdao 266237China Shandong Key Laboratory of Marine Science and Numerical Modeling Qingdao 266061China

Mesoscale eddies are a prominent oceanic phenomenon that plays an important role in oceanic mass transport and energy *** by rotational speed,the eddy intensity is one of the most fundamental properties of an ***,the seasonal spatiotemporal variation in eddy intensity has not been examined from a global ocean *** this study,we unveil the seasonal spatiotemporal characteristics of eddy intensity in the global ocean by using the latest satellite-altimetry-derived eddy trajectory data *** results suggest that the eddy intensity has a distinct seasonal variation,reaching a peak in spring while attaining a minimum in autumn in the Northern Hemisphere and the opposite in the Southern *** seasonal variation of eddy intensity is more intense in the tropical-subtropical transition zones within latitudinal bands between 15°and 30°in the western Pacific Ocean,the northwestern Atlantic Ocean,and the eastern Indian Ocean because baroclinic instability in these areas changes *** analysis found that the seasonal variation of baroclinic instability precedes the eddy intensity by a phase of 2–3 months due to the initial perturbations needing time to grow into mesoscale eddies.

关键词： seasonal variation mesoscale eddy intensity baroclinic instability global ocean

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Dynamically switchable porphyrin-based molecular tweezer for on-off fullerene recognition

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Chinese Chemical Letters 2024年第6期35卷 283-287页

作者： Zhimin sun Xin-Hui Guo yue Zhao Qing-Yu Meng Li-Juan Xing He-Lue sun College of Chemistry and Materials Science Hebei Key Laboratory of Organic Functional MoleculesHebei Normal UniversityShijiazhuang 050024China

Herein,a novel molecular tweezer based on 2,2'-bipyridine-bridged porphyrin subunits was constructed for efficient fullerenes *** syn conformation of the molecule,which was obtained by Zn(Ⅱ)coordination,gives rise to a proper cavity to interact with fullerene guests to form a stable 1:1 complex in toluene *** exhibits distinct binding selectivity towards C_(60)over C_(70).Moreover,the fullerene recognition capacity can be adequately suppressed by importing H_(2)PO_(4)^(-)to competitively capture Zn(Ⅱ)along with syn-anti conformational ***,the molecular tweezer regenerated to bind the fullerene by introducing the Ca^(2+)into the ***,the association-disassociation process can be switched reversibly and repeatedly.

关键词： Molecular tweezer Fullerene recognition Supramolecular chemistry Conformation conversion Coordination

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Manufacturing process of water-soluble salt-based ceramic cores based on vat photopolymerization

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Journal of Advanced Ceramics 2024年第5期13卷 652-665页

作者： Yuzhen Zhang Wenyan Duan yue Gu Xingyao sun Shan Li Bingshan Liu Gong Wang Key Laboratory of Space Manufacturing Technology(SMT) Technology and Engineering Center for Space UtilizationChinese Academy of SciencesBeijing 100094China University of Chinese Academy of Sciences Beijing 100049China Ministry of Education Key Laboratory for Cross-Scale Micro and Nano Manufacturing Changchun University of Science and TechnologyChangchun 130022China

Water-soluble salt-based ceramic cores can be recycled and have excellent high-temperature chemical *** this work,vat photopolymerization was successfully applied to water-soluble salt-based ceramic cores for the first *** powder raw materials of the printing suspension were sodium chloride and ***-precision green bodies were manufactured by optimizing suspensions and *** addition,the postprocessing method was optimized according to the microstructure and mechanical *** sintered part had a high bending strength and smooth ***,the dissolution rate and moisture resistance were compared under different dissolution and storage *** to traditional manufacturing methods,vat photopolymerization enables the production of complex structures without molds and reduces production *** technology is suitable for the rapid iteration of complex structural parts and can be applied to precision parts in aerospace,military,and other technical fields with high cost-effectiveness and sustainability.

关键词： vat photopolymerization water-soluble salt-based ceramic cores defect formation control accuracy moisture rate

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Evaluation of lightning-induced overvoltage on a 10 kV distribution line based on electromagnetic return-stroke model using finite-difference time-domain

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High Voltage 2024年第2期9卷 356-366页

作者： Pan Duan Lianfang Zhang Xiaogang Huang Jian sun yue Qi Qing Yang School of Automation Chongqing University of Posts and TelecommunicationsChongqingChina Chongqing Power Co Tongnan BurChongqingChina China Southern Power Grid Science Research Institute GuangzhouChina State Key Laboratory of Power Transmission Equipment&System Security and New Technology Chongqing UniversityChongqingChina

Accurate simulation of lightning-induced overvoltage for overhead distribution lines is helpful to prevent lightning trip *** electromagnetic return-stroke model was used to represent lightning and then a 3D finite-difference time-domain(FDTD)method was adopted to simulate the lightning-induced overvoltage on a distribution line without a field-line coupling *** lightning-induced overvoltage behave for different ground conductivity and varying distance between the distribution line and the lightning channel was *** results showed that the overvoltage waveforms at the centre point of the line corresponding to lightning strikes on the lossy ground and an ideal ground(σ=∞)were similar;however,the peak amplitudes of the waveform were affected by soil conductivity at a close *** relationship between magnitude of the overvoltage and distance can be described by a second-order exponential decay ***,the overvoltage calculated using the proposed model was compared with those obtained based on Agrawal's model and measurements made using the newly developed intelligent insulator on *** these comparisons,it could be concluded that the FDTD method with the electromagnetic return-stroke model produces reasonably accurate results of the attenuated oscillation waveform,which can better reproduce the overvoltage on operational distribution lines.

关键词： lightning distribution return

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A coating strategy on titanium implants with enhanced photodynamic therapy and CO-based gas therapy for bacterial killing and inflammation regulation

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Chinese Chemical Letters 2024年第2期35卷 386-395页

作者： Liang Cheng Bingshuai Zhou Manlin Qi Xiaolin sun Shujun Dong yue sun Biao Dong Lin Wang Yingwei Yang Department of Oral Implantology Jilin Provincial Key Laboratory of Sciences and Technology for Stomatology Nanoengineering School and Hospital of StomatologyJilin UniversityChangchun 130021China State Key Laboratory on Integrated Optoelectronics College of Electronic Science and EngineeringJilin UniversityChangchun 130021China College of Chemistry Jilin UniversityChangchun 130012China

Antimicrobial photodynamic therapy(aPDT)has been considered a noninvasive and effective modality against the bacterial infection of peri‑implantitis,especially the aPDT triggered by near-infrared(NIR)light due to the large penetration depth in ***,the complexity of hypoxia microenvironments and the distance of aPDT sterilization still pose challenges before realizing the aPDT clinical *** to the long lifespan and transmission distance of therapeutic gas molecules,we design a multi-functional gas generator that combines aPDT as well as O_(2) and CO gas release function,which can solve the problem of hypoxia(O_(2))in PDT and the problem of inflammation regulation(CO)in the distal part of peri‑implant inflammation under near-infrared(NIR)*** the composite nanoplatform that spin-coated on the surface of titanium implants,up-conversion nanoparticles(UCNPs)were involved in converting the NIR to visible,which further excites the partially oxidized stannic sulfide(SnS_(2)),realizing the therapeutic gas *** green(ICG)was further integrated to enhance the aPDT performance(Ti-U@SnS_(2)/I).Therefore,reactive oxygen species(ROS),CO,and O_(2) can be controllably administered via a composite nano-platform mediated by a single NIR light(808 nm).This implant surface modification strategy could achieve great self-enhancement antibacterial effectiveness and regulate the lingering questions,such as relieving the anoxic microenvironment and reaching deep infection sites,providing a viable antibiotic-free technique to combat peri‑implantitis.

关键词： Photodynamic therapy Biomaterials Dental implant Reactive oxygen species Carbon monoxide Hybrid nanoplatform

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Demand and key technology for a LEO constellation as augmentation of satellite navigation systems

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Satellite Navigation 2024年第1期5卷 1-9页

作者： Yuanxi Yang yue Mao Xia Ren Xiaolin Jia Bjiao sun Xi’an Research Institute of Surveying and Mapping Xi’an710054ShaanxiChina State National Key Laboratory of Geo-Information Engineering Xi’an710054ShaanxiChina

A Low Earth Orbit(LEO)constellation augmenting satellite navigation is important in the future development of Global Navigation Satellite System(GNSS).GNSS augmented by LEO constellations can improve not only the accuracy of Positioning,Navigation,and Timing(PNT),but also the consistency and reliability of secure PNT *** paper mainly analyzes the diverse demands of different PNT users for LEO augmented GNSS,including the precision demand in real-time,the availability demand in special areas,the navigation signal enhancement demand in complex electromagnetic environments,and the integrity demand with high ***,the possible contributions of LEO constellations to PNT performance are analyzed from multiple aspects.A particular attention is paid to the special PNT user requirements that cannot be fulfilled with existing GNSS,such as the PNT service demand in the polar regions and the onboard GNSS orbit determination demand of some LEO *** key technologies to be considered in the constellation design,function realization,and payload development of the LEO-augmented navigation system are summarized.

关键词： Low earth orbit navigation constellation Accuracy augmentation Orbit determination Integrity

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Feasible Synthesis of N,O-Bidentate Difluoroboron Chromophores through Direct Functionalization of Quinoxalin-2(1H)-ones with Ketones in One Shot

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Chinese Journal of Chemistry 2024年第13期42卷 1481-1486页

作者： Shuaichen Zhang Jing Zhang Xiang Ling Yifan Zhao yue Ma Peng sun State Key Laboratory for Quality Ensurance and Sustainable Use of Dao-di Herbs Artemisinin Research Center and Institute of Chinese Materia MedicaChina Academy of Chinese Medical SciencesBeijing 100700China Department of Pharmaceutics School of PharmacyChina Pharmaceutical UniversityState Key Laboratory of Natural MedicinesNanjingJiangsu 210009China

Organic difluoroboron complexes are a kind of potential platforms for a wide range of applications owing to their excellent photophysical ***,we have explored a simple and direct synthesis methodology for a library of N,O-bidentate difluoroboron complexes from quinoxalin-2(1H)-ones and ketones in one *** photophysical properties of the generated complexes were evaluated and the application potential of these compounds on subcellular imaging was also explored.

关键词： N,O-Bidentate difluoroboron Chromophores Quinoxalin-2(1H)-ones Ketones/Green chemistry Synthetic method C-CcouplingI Boron

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