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Allosteric modulation of G protein-coupled receptors as a novel therapeutic strategy in neuropathic pain

Acta Pharmaceutica Sinica B 2024年第1期14卷 67-86页

作者： Chunhao Zhu Xiaobing Lan Zhiqiang Wei jianqiang yu.jian zhang School of Pharmacy Ningxia Medical UniversityYinchuan 750004China Medicinal Chemistry and Bioinformatics Center Shanghai Jiao Tong University School of MedicineShanghai 200025China School of Basic Medical Science Ningxia Medical UniversityYinchuan 750004China Medicinal Chemistry and Bioinformatics Center Ocean University of ChinaQingdao 266100China State Key Laboratory of Pharmaceutical Biotechnology Nanjing UniversityNanjing 210023China

Neuropathic pain is a debilitating pathological condition that presents significant therapeutic challenges in clinical ***,current pharmacological treatments for neuropathic pain lack clinical efficacy and often lead to harmful adverse *** G protein-coupled receptors(GPCRs)are widely distributed throughout the body,including the pain transmission pathway and descending inhibition pathway,the development of novel neuropathic pain treatments based on GPCRs allosteric modulation theory is gaining *** research has shown that allosteric modulators targeting GPCRs on the pain pathway can effectively alleviate symptoms of neuropathic pain while reducing or eliminating adverse *** review aims to provide a comprehensive summary of the progress made in GPCRs allosteric modulators in the treatment of neuropathic pain,and discuss the potential benefits and adverse factors of this *** will also concentrate on the development of biased agonists of GPCRs,and based on important examples of biased agonist development in recent years,we will describe universal strategies for designing structure-based biased *** is foreseeable that,with the continuous improvement of GPCRs allosteric modulation and biased agonist theory,effective GPCRs allosteric drugs will eventually be available for the treatment of neuropathic pain with acceptable safety.

关键词： Neuropathic pain Allosteric modulators G protein-coupled receptors Analgesia

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Deep Learning Blockchain Integration Framework for Ureteropelvic Junction Obstruction Diagnosis Using Ultrasound Images

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Tsinghua Science and Technology 2024年第1期29卷 1-12页

作者： yu Guan Pengceng Wen jianqiang Li Jinli zhang Xianghui Xie Faculty of Information Technology Beijing University of TechnologyBeijing 100124China Beijing Children’s Hospital Affiliated to Capital Medical University Beijing 100020China

UreteroPelvic Junction Obstruction(UPJO)is a common hydronephrosis disease in children that can result in an even progressive loss of renal *** is an economical,radiationless,noninvasive,and high noise preliminary diagnostic step for *** intelligence has been widely applied to medical fields and can greatly assist doctors'diagnostic *** demand for a highly secure network environment in transferring electronic medical data online,therefore,has led to the development of blockchain *** this study,we built and tested a framework that integrates a deep learning diagnosis model with blockchain *** diagnosis model is a combination of an attention-based pyramid semantic segmentation network and a discrete wavelet transformation-processed residual classification *** also compared the performance between benchmark models and our *** diagnosis model outperformed benchmarks on the segmentation task and classification task with MloU=87.93,MPA=93.52,and accuracy=91.77%.For the blockchain system,we applied the InterPlanetary File System protocol to build a secure and private sharing *** framework can automatically grade the severity of UPJO using ultrasound images,guarantee secure medical data sharing,assist in doctors'diagnostic ability,relieve patients'burden,and provide technical support for future federated learning and linkage of the Internet of Medical Things(loMT).

关键词： data mining image processing and computer vision machine learning medical information systems

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Detection and Defense Method Against False Data Injection Attacks for Distributed Load Frequency Control System in Microgrid

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Journal of Modern Power Systems and Clean Energy 2024年第3期12卷 913-924页

作者： Zhixun zhang jianqiang Hu jianquan Lu Jie yu Jinde Cao Ardak Kashkynbayev the School of Cyber Science and Engineering Southeast UniversityNanjing 210096China the School of Mathematics Southeast UniversityNanjing 211189China the School of Electronic Information and Electrical Engineering Chengdu UniversityChengdu 610106China the Yonsei Frontier Laboratory Yonsei UniversitySeoul 03722South Korea School of Electrical Engineering Southeast UniversityNanjing 210096China the Department of Mathematics Nazarbayev UniversityNur-Sultan 010000Kazakhstan

In the realm of microgrid(MG),the distributed load frequency control(LFC)system has proven to be highly susceptible to the negative effects of false data injection attacks(FDIAs).Considering the significant responsibility of the distributed LFC system for maintaining frequency stability within the MG,this paper proposes a detection and defense method against unobservable FDIAs in the distributed LFC ***,the method integrates a bi-directional long short-term memory(Bi LSTM)neural network and an improved whale optimization algorithm(IWOA)into the LFC controller to detect and counteract ***,to enable the Bi LSTM neural network to proficiently detect multiple types of FDIAs with utmost precision,the model employs a historical MG dataset comprising the frequency and power ***,the IWOA is utilized to optimize the proportional-integral-derivative(PID)controller parameters to counteract the negative impacts of *** proposed detection and defense method is validated by building the distributed LFC system in Simulink.

关键词： Microgrid load frequency control false data injection attack bi-directional long short-term memory(BiLSTM)neural network improved whale optimization algorithm(IWOA) detection and defense

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Computer-aided molecular design and optimization of potent inhibitors disrupting APC-Asef interaction

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Acta Pharmaceutica Sinica B 2024年第6期14卷 2631-2645页

作者： Xuefei Wang Zeqian Du yuegui Guo Jie Zhong Kun Song Junyuan Wang jianqiang yu Xiuyan Yang Chen-Ying Liu Ting Shi jian zhang Department of Pathophysiology Key Laboratory of Cell Differentiation and Apoptosis of Chinese Ministry of EducationShanghai Jiao Tong UniversitySchool of MedicineShanghai 200025China Key Laboratory of Protection Development and Utilization of Medicinal Resources in Liupanshan AreaMinistry of EducationPeptide&Protein Drug Research CenterSchool of PharmacyNingxia Medical UniversityYinchuan 750004China State Key Laboratory of Microbial Metabolism Joint International Research Laboratory of Metabolic and Developmental SciencesSchool of Life Sciences and BiotechnologyShanghai Jiao Tong UniversityShanghai 200240China Department of Colorectal and Anal Surgery Xinhua HospitalShanghai Jiao Tong University School of MedicineShanghai 200025China Basic Science Research Center Base(Pharmaceutical Science) Yantai UniversityYantai 264005China Medicinal Chemistry and Bioinformatics Center Shanghai Jiao Tong UniversitySchool of MedicineShanghai 200025China State Key Laboratory of Pharmaceutical Biotechnology Nanjing UniversityNanjing 210023China

Colorectal cancer(CRC)is the second leading cause of cancer mortality *** initial diagnosis,approximately 20%of patients are diagnosed with metastatic CRC(mCRC).Although the APC-Asef interaction is a well-established target for mCRC therapy,the discovery and development of effective and safe drugs for mCRC patients remains an urgent and challenging *** this study,we identified a novel structural scaffold based on MAI inhibitors,the first-in-class APC-Asef inhibitors we reported *** model-driven optimizations of the N-terminal cap and experimental evaluations of inhibitory activity were performed,and 24-fold greater potency was obtained with the best inhibitor compared to the parental *** addition,the cocrystal structure validated that the two-layerπ-πstacking interactions were essential for inhibitor stabilization in the bound ***,in vitro and in vivo studies have demonstrated that novel inhibitors suppressed lung metastasis in CRC by disrupting the APC-Asef *** results provide an intrinsic structural basis to further explore drug-like molecules for APC-Asef-mediated CRC therapy.

关键词： APC-Asef Peptidomimetic Computer-aided molecular design ONIOM model π-πstacking Metastatic colorectal cancer

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Facile synthesis of high-brightness green-emitting carbon dots with narrow bandwidth towards backlight display

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Chinese Chemical Letters 2024年第5期35卷 277-282页

作者： Rui Cheng Tingting zhang Xin Huang jian yu State Key Laboratory of Materials-Oriented Chemical Engineering College of Chemical EngineeringNanjing Tech UniversityNanjing 210009China

High-performance carbon dots(CDs)allowing the application in high-end display devices are highly desirable and usually limited by the absence of simple and easy synthesis *** this work,we exploited an easy-to-implement strategy for the one-step synthesis of green-emitting CDs(G-CDs)with superb optical *** G-CDs were synthesized using m-phenylenediamine(m-PD)as a single precursor,and the reaction reacted at 180℃for 12 h The resultant G-CDs exhibit high-purity and excitationindependent green fluorescence with the photoluminescence(PL)peak located at 516 nm,full width at half maximum(FWHM)of 46 nm,and PL quantum yield(QY)of∼80%under the 470nm excitation *** G-CDs and corresponding composite film prepared with polyvinyl butyral(G-CDs@PVB)exhibit good PL stability after undergoing long-time storage for one year and 360 h exposure under 460nm blue *** G-CDs@PVB film was used as color-conversion materials in green-emitting light-emitting diode(LED)application,exhibiting a Commission internationale de l’Eclairage(CIE)chromaticity coordinate of(0.21,0.44).The film was also used in CD-based liquid crystal display(CD-LCD)application,achieving a color gamut value of 85%.This work will offer a working basis for the synthesis of high-performance CDs as well as their application in displays.

关键词： Carbon dots One-step synthesis Narrow bandwidth High quantum yield Display

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Exploring changes of precipitation extremes under climate change through global variable-resolution modeling

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Science Bulletin 2024年第2期69卷 237-247页

作者： Wei Sun jian Li Rucong yu Nina Li Yi zhang State Key Laboratory of Severe Weather Chinese Academy of Meteorological SciencesBeijing 100081China Institute of Tibetan Plateau Meteorology China Meteorological AdministrationChengdu 610072China Department of Atmospheric Science Yunnan UniversityKunming 650091China National Meteorological Center China Meteorological AdministrationBeijing 100081China 2035 Future Laboratory PIESAT Information Technology Co.Ltd.Beijing 100105China

Understanding the responses of precipitation extremes to global climate change remains limited owing to their poor representations in models and complicated interactions with multi-scale *** we take the record-breaking precipitation over China in 2021 as an example,and study its changes under three different climate scenarios through a developed pseudo-global-warming(PGW)experimental framework with 60-3 km variable-resolution global ensemble *** to the present climate,the precipitation extreme under a warmer(cooler)climate increased(decreased)in intensity,coverage,and total amount at a range of 24.3%-37.8%(18.7%-56.1%).With the help of the proposed PGW experimental framework,we further reveal the impacts of the multi-scale system interactions in climate change on the precipitation *** the warmer climate,large-scale water vapor transport converged from double typhoons and the subtropical high marched into central China,enhancing the convective energy and instability on the leading edge of the transport *** a result,the mesoscale convective system(Mcs)that directly contributed to the precipitation extreme became stronger than that in the present *** the contrary,the cooler climate displayed opposite changing characteristics relative to the warmer climate,ranging from the large-scale systems to local environments and to the *** summary,our study provides a promising approach to scientifically assess the response of precipitation extremes to climate change,making it feasible to perform ensemble simulations while investigating the multi-scale system interactions over the globe.

关键词： Precipitation extreme Climate change Pseudo-global-warming experiment Variable-resolution modeling Multi-scale system interaction

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Analysis of mechanical strengths of extreme line casing joint considering geometric, material, and contact nonlinearities

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Petroleum Science 2024年第3期21卷 1992-2004页

作者： Ji-yun zhang Chi Peng jian-Hong Fu Quan Cao yu Su jian-yun Pang Zi-Qiang yu Petroleum Engineering School Southwest Petroleum UniversityChengdu610500SichuanChina Engineering Technology Research Institute of CNPC Southwest Oil and Gas Field Company Chengdu610017SichuanChina

To address the challenges associated with difficult casing running,limited annular space,and poor cementing quality in the completion of ultra-deep wells,the extreme line casing offers an effective solution over conventional ***,due to its smaller size,the joint strength of extreme line casing is reduced,which may cause failure when running in the *** address this issue,this study focuses on the CST-ZTΦ139.7 mm×7.72 mm extreme line casing and employs the elastic-plastic mechanics to establish a comprehensive analysis of the casing joint,taking into account the influence of geometric and material nonlinearities.A finite element model is developed to analyze the forces and deformations of the extreme line casing joint under axial tension and external collapse *** model investigates the stress distribution of each thread tooth subjected to various tensile forces and external ***,the tensile strength and crushing strength of the extreme line casing joint are determined through both analytical and experimental *** findings reveal that,under axial tensile load,the bearing surface of each thread tooth experiences uneven stress,with relatively high equivalent stress at the root of each thread *** end thread teeth are valuable spots for *** is observed that the critical fracture axial load of thread decreases linearly with the increase of thread tooth *** external pressure,the circumferential stress is highest at the small end of the external thread,leading to yield *** tensile strength of the joint obtained from the finite element model exhibits a relative error of less than 7%compared to the analytical and experimental values,proving the reliability of the finite element *** tensile strength of the joint is 3091.9 k ***,in terms of anti-collapse capability,the joints demonstrate higher resistance to collapse compared to the casing body,which is consistent with the test resul

关键词： Extreme line casing Elastic-plastic mechanics Finite element analysis Tensile strength Collapse strength

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Accurate simulations of pure-viscoacoustic wave propagation in tilted transversely isotropic media

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Petroleum Science 2024年第2期21卷 866-884页

作者： Qiang Mao jian-Ping Huang Xin-Ru Mu Ji-Dong Yang yu.jian zhang Geosciences Department China University of Petroleum(East China)Qingdao266580ShandongChina Pilot National Laboratory for Marine Science and Technology(Qingdao) Qingdao266207ShandongChina

Forward modeling of seismic wave propagation is crucial for the realization of reverse time migration(RTM) and full waveform inversion(FWI) in attenuating transversely isotropic media. To describe the attenuation and anisotropy properties of subsurface media, the pure-viscoacoustic anisotropic wave equations are established for wavefield simulations, because they can provide clear and stable wavefields. However, due to the use of several approximations in deriving the wave equation and the introduction of a fractional Laplacian approximation in solving the derived equation, the wavefields simulated by the previous pure-viscoacoustic tilted transversely isotropic(TTI) wave equations has low accuracy. To accurately simulate wavefields in media with velocity anisotropy and attenuation anisotropy, we first derive a new pure-viscoacoustic TTI wave equation from the exact complex-valued dispersion formula in viscoelastic vertical transversely isotropic(VTI) media. Then, we present the hybrid finite-difference and low-rank decomposition(HFDLRD) method to accurately solve our proposed pure-viscoacoustic TTI wave equation. Theoretical analysis and numerical examples suggest that our pure-viscoacoustic TTI wave equation has higher accuracy than previous pure-viscoacoustic TTI wave equations in describing q P-wave kinematic and attenuation characteristics. Additionally, the numerical experiment in a simple two-layer model shows that the HFDLRD technique outperforms the hybrid finite-difference and pseudo-spectral(HFDPS) method in terms of accuracy of wavefield modeling.

关键词： Pure-viscoacoustic TTI wave equation Attenuation anisotropy Seismic modeling Low-rank decomposition method

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Multi-objective optimization and evaluation of supercritical CO_(2) Brayton cycle for nuclear power generation

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Nuclear Science and Techniques 2024年第2期35卷 183-209页

作者： Guo-Peng yu Yong-Feng Cheng Na zhang Ping-jian Ming Sino-French Institute of Nuclear Engineering and Technology Sun Yat-Sen UniversityZhuhai 519082China School of Civil Engineering and Architecture East China Jiaotong UniversityNanchang 330013China

The supercritical CO_(2) Brayton cycle is considered a promising energy conversion system for Generation IV reactors for its simple layout,compact structure,and high cycle *** models of four Brayton cycle layouts are developed in this study for different reactors to reduce the cost and increase the thermohydraulic performance of nuclear power generation to promote the commercialization of nuclear *** analysis,multi-objective optimizations,and four decision-making methods are applied to obtain each Brayton scheme’s optimal thermohydraulic and economic *** show that for the same design thermal power scale of reactors,the higher the core’s exit temperature,the better the Brayton cycle’s thermo-economic *** the four-cycle layouts,the recompression cycle(RC)has the best overall performance,followed by the simple recuperation cycle(SR)and the intercooling cycle(IC),and the worst is the reheating cycle(RH).However,RH has the lowest total cost of investment(C_(tot))of$1619.85 million,and IC has the lowest levelized cost of energy(LCOE)of 0.012$/(kWh).The nuclear Brayton cycle system’s overall performance has been improved due to *** performance of the molten salt reactor combined with the intercooling cycle(MSR-IC)scheme has the greatest improvement,with the net output power(W_(net)),thermal efficiencyη_(t),and exergy efficiency(η_(e))improved by 8.58%,8.58%,and 11.21%,*** performance of the lead-cooled fast reactor combined with the simple recuperation cycle scheme was optimized to increase C_(tot) by 27.78%.In comparison,the internal rate of return(IRR)increased by only 7.8%,which is not friendly to investors with limited *** the nuclear Brayton cycle,the molten salt reactor combined with the recompression cycle scheme should receive priority,and the gas-cooled fast reactor combined with the reheating cycle scheme should be considered carefully.

关键词： Supercritical CO_(2)Brayton cycle Nuclear power generation Thermo-economic analysis Multi-objective optimization Decision-making methods

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Recent progress on Sn_(3)O_(4)nanomaterials for photocatalytic applications

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International Journal of Minerals,Metallurgy and Materials 2024年第2期31卷 231-244页

作者： Xin yu Congcong Li jian zhang Lili Zhao Jinbo Pang Longhua Ding Institute for Advanced Interdisciplinary Research(iAIR) School of Chemistry and Chemical EngineeringUniversity of JinanJinan 250022China School of Sino-German Engineering Shanghai Technical Institute of Electronics and InformationShanghai 201411China Division of Systems and Synthetic Biology Department of Life SciencesChalmers University of Technology41296 GöteborgSweden

Tin(IV)oxide(Sn_(3)O_(4))is layered tin and exhibits mixed valence *** has emerged as a highly promising visible-light pho-tocatalyst,attracting considerable *** comprehensive review is aimed at providing a detailed overview of the latest advance-ments in research,applications,advantages,and challenges associated with Sn_(3)O_(4)photocatalytic *** fundamental con-cepts and principles of Sn_(3)O_(4)are ***_(3)O_(4)possesses a unique crystal structure and optoelectronic properties that allow it to ab-sorb visible light efficiently and generate photoexcited charge carriers that drive photocatalytic ***,strategies for the control and improved performance of Sn_(3)O_(4)photocatalytic nanomaterials are *** control,ion doping,and hetero-structure construction are widely employed in the optimization of the photocatalytic performance of Sn_(3)O_(4)*** effective imple-mentation of these strategies improves the photocatalytic activity and stability of Sn_(3)O_(4)***,the review explores the diverse applications of Sn_(3)O_(4)photocatalytic nanomaterials in various fields,such as photocatalytic degradation,photocatalytic hydro-gen production,photocatalytic reduction of carbon dioxide,solar cells,photocatalytic sterilization,and optoelectronic *** discus-sion focuses on the potential of Sn_(3)O_(4)-based nanomaterials in these applications,highlighting their unique attributes and ***,the review provides an outlook on the future development directions in the field and offers guidance for the exploration and de-velopment of novel and efficient Sn_(3)O_(4)-based *** the identification of emerging research areas and potential avenues for improvement,this review aims to stimulate further advancements in Sn_(3)O_(4)-based photocatalysis and facilitate the translation of this promising technology into practical applications.

关键词： photocatalysis Sn_(3)O_(4)nanomaterials building heterostructures antibacterial therapy water splitting

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