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Tumor inflammation-specific self-amplifying fluorescent molecular probes induce an anti-tumor immune response

Science China Chemistry 2025年第1期68卷 273-287页

作者： Shuguang Yang Lijun Hu Hong Xiao Zecong Xiao Xintao Shuai PCFM Lab of Ministry of Education School of Materials Science and Engineering Sun Yat-sen University department of Ultrasound The Fifth Affiliated Hospital Sun Yat-sen University department of Medical Ultrasound The Third Affiliated Hospital of Sun Yat-sen University Nanomedicine Research Center The Third Affiliated Hospital of Sun Yat-sen University

Enhancing the concentration of exogenous molecular drugs within the tumor microenvironment through enzyme-catalyzed polymerization presents a novel strategy for cancer therapy. Nonetheless, the optimization of the catalytic efficiency is often impeded by the inefficient expression of enzymes. Herein, we reported a self-amplifying fluorescent molecular probe, Bis-HTPICG, for photodynamic therapy(PDT) and subsequent PDT-induced immunoreaction. The Bis-HTP-ICG probe possesses a noticeable enzyme-catalyzed polymerization facilitated by myeloperoxidase(MPO), a crucial enzyme secreted by neutrophils at inflammation sites. Upon exposure to laser irradiation, Bis-HTP-ICG showed a high PDT efficacy, inducing an acute inflammatory response that stimulates further recruitment of neutrophils and then elevated MPO secretion. The heightened level of MPO enhances the accumulation of the Bis-HTP-ICG via self-polymerization or binding with intratumoral proteins following MPO enzyme catalysis, instigating a self-amplifying chain reaction cycle involving Bis-HTP-ICG, neutrophils and ***, PDT efficiently incites immunogenic cell death(ICD) in tumor cells, initiating an anti-tumor immune response including dendritic cells(DCs) maturation, T cell proliferation and reprogramming of tumor-associated neutrophils(TANs). This work portrays a promising strategy for self-amplification of fluorescent molecular probes through adjustable enzyme levels,potentially offering a unique avenue to enhance the tumor accumulation of molecular drugs for improved tumor therapy.

关键词： fluorescent molecular probes self-amplifying myeloperoxidase photodynamic therapy

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COMPUTATION OF FIELD STRUCTURE AND AERODYNAMIC CHARACTERISTICS OF DELTA WINGS AT HIGH ANGLES OF ATTACK

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Applied Mathematics and Mechanics(English Edition) 2005年第6期26卷 797-806页

作者：杨立芝高正红 department of aircraft engineering Northwestern Polytechnical University

A numerical investigation of the structure of the vortical flowfield over delta wings at high angles of attack in longitudinal and with small sideslip angle is presented. Three-dimensional Navier-Stokes numerical simulations were carried out to predict the complex leeward-side flowfield characteristics that are dominated by the effect of the breakdown of the leading-edge vortices. The methods that analyze the flowfield structure quantitatively were given by using flowfield data from the computational results. In the region before the vortex breakdown, the vortex axes are approximated as being straight line. As the angle of attack increases, the vortex axes are closer to the root chord, and farther away from the wing surface. Along the vortex axes, as the adverse pressure gradients occur, the axial velocity decreases, that is, A is negativee, so the vortex is unstable, and it is possible to breakdown. The occurrence of the breakdown results in the instability of lateral motion for a delta wing, and the lateral moment diverges after a small perturbation occurs at high angles of attack. However, after a critical angle of attack is reached the vortices breakdown completely at the wing apex, and the instability resulting from the vortex breakdown disappears.

关键词： computational method high angle of attack vortex flow

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An autonomous dynamic recovery technology for autonomous underwater vehicles based on unmanned surface vehicles

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Science China Technological Sciences 2025年

作者： Yueying WANG Yiqi SHI Guanghui WEN Huaicheng YAN School of Mechatronic engineering and Automation Shanghai University department of Systems Science School of Mathematics Southeast University School of Information Science and engineering East China University of Science and Technology

Autonomous underwater vehicles (AUVs) have attracted considerable attention due to their vast potential applications, such as offshore oil exploration, underwater rescue, military reconnaissance, and marine scientific...

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Unraveling the impacts of intermolecular interaction on morphology evolution for highly efficient organic solar cells and modules

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Science China Chemistry 2025年第1期68卷 264-272页

作者： Xueqing Ma Yingying Cheng Yuqiang Liu Xinming Zheng Guangliu Ran Hongxiang Li Xinyue Cui Andong Zhang Wenkai Zhang Pei Cheng Wenchao Huang Zhishan Bo Beijing Key Laboratory of Energy Conversion and Storage Materials College of Chemistry Beijing Normal University College of Textiles and Clothing State Key Laboratory of Bio-fibers and Eco-textiles Qingdao University Key State Laboratory of Advanced Technology for Materials Synthesis and Processing School of Materials Science and EngineeringWuhan University of Technology department of Physics and Applied Optics Beijing Area Major Laboratory Center for Advanced Quantum Studies Beijing Normal University State Key Laboratory of Polymer Materials engineering College of Polymer Science and Engineering Sichuan University

Understanding the effect of intermolecular interaction on the growth dynamic of active layers is critical for advancing organic solar cells(OSCs). However, the diverse structure of donors and acceptors makes the research challenging. Additives with customizable structures and properties could simplify this complexity. Herein, we meticulously tailor two additives of 3,4-ethylenedioxythiophene(EDOT) and 2,5-dibromo-3,4-ethylenedioxythiophene(DBEDOT), possessing distinct intermolecular interaction features to elaborate the inherent relationship. It is found that varied interaction strengths can alter film formation processes. The enhanced intermolecular interaction between the DBEDOT and non-fullerene acceptor BTP-e C9-4F results in pre-aggregation and longer crystallization duration of BTP-e C9-4F, facilitating the formation of films with compact molecular packing and decent phase separation. Thus, exciton dissociation and charge transport become more efficient. Finally, devices processed with DBEDOT exhibit a remarkable power conversion efficiency of 19.35% in small-area OSCs and 14.11% in bladecoated 5 cm × 5 cm organic solar mini-modules. Especially, OSCs can maintain 80% of their initial efficiency after continuous annealing at 85 °C for over 2,100 h.

关键词： organic solar cell non-fullerene acceptor film growth molecular packing intermolecular interaction

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Small modifications of endo-functionalized cavities lead to large changes in molecular interaction in water

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Science China Chemistry 2025年第1期68卷 369-376页

作者： Song-Meng Wang Hao Nian Yan-Fang Wang Li-Shuo Zheng Yu-Tao Zheng Yi-Wei Dong Liping Huang Xiaoping Wang Wei Jiang Liu-Pan Yang department of Chemistry Southern University of Science and Technology School of Chemistry and Pharmaceutical Sciences State Key Laboratory for Chemistry and Molecular Engineering of Medicinal ResourcesGuangxi Normal University School of Pharmaceutical Science Hengyang Medical School University of South China

Studying molecular recognition in aqueous environments is crucial for understanding biological processes. Herein, we present a series of N-doped endo-functionalized anthracene-based cavities by introducing inward-directed pyridine units. The subtle modifications can significantly affect the binding properties of these receptors, which is similar to the mutations in biological systems. Combining theoretical calculations and molecular recognition experiments demonstrated that these “mutations” have an impact on the hydrophobicity and charge distribution of the hosts, consequently significantly influencing molecular *** is crucial for understanding the intricate mechanisms of molecular-level interactions in biological receptors.

关键词： host-guest interaction hydrophobic effect endo-functionalized cavity mutation pyridine

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NUMERICAL SOLUTION OF THE UNSTEADY EULER EQUATIONS FOR AIRFOILS USING APPROXIMATE BOUNDARY CONDITIONS

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Acta Mechanica Sinica 2003年第5期19卷 427-436页

作者：高超罗时钧刘锋 department of aircraft engineering Northwestern Polytechnicaf UniversityXi'an 710072China

This paper presents an efficient numerical method for solving the unsteady Euler equations on stationary rectilinear grids. Boundary conditions on the surface of an airfoil are implemented by using their first-order expansions on the mean chord line. The method is not restricted to flows with small disturbances since there are no restrictions on the mean angle of attack of the airfoil. The mathematical formulation and the numerical implementation of the wall boundary conditions in a fully implicit time-accurate finite-volume Euler scheme are described. Unsteady transonic flows about an oscillating NACA 0012 airfoil are calculated. Computational results compare well with Euler solutions by the full boundary conditions on a body-fitted curvilinear grid and published experimental data. This study establishes the feasibility for computing unsteady fluid-structure interaction problems, where the use of a stationary rectilinear grid offers substantial advantages in saving computer time and program design since it does not require the generation and implementation of time-dependent body-fitted grids.

关键词： unsteady flow Euler equations Cartesian grid numerical method approximate boundary conditions

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Cross-subcarrier precoder design for massive MIMO-OFDM downlink with symplectic optimization

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Science China(Information Sciences) 2025年

作者： Yu-Xuan ZHANG An-An LU Xiang-Gen XIA Xi-Qi GAO National Mobile Communications Research Laboratory Southeast University Purple Mountain Laboratories department of Electrical and Computer engineering University of Delaware

We propose a cross-subcarrier precoder design(CSPD) for massive multiple-input multiple-output(MIMO) orthogonal frequency division multiplexing(OFDM) downlink. This work aims to significantly improve the channel estimation and signal detection performance by enhancing the smoothness of the frequency domain effective channel. This is accomplished by designing a few vectors known as the transform domain precoding vectors(TDPVs), which are then transformed into the frequency domain to generate the precoders for a set of subcarriers. To combat the effect of channel aging, the TDPVs are optimized under imperfect channel state information(CSI). The optimal precoder structure is derived by maximizing an upper bound of the ergodic weighted sum-rate(WSR) and utilizing the a posteriori beam-based statistical channel model(BSCM). To avoid the large-dimensional matrix inversion, we propose an algorithm with symplectic optimization. Simulation results indicate that the proposed cross-subcarrier precoder design significantly outperforms conventional methods.

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Encapsulating perovskite quantum dots into 3D COF for visible light-driven CO2 reduction

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Science China Chemistry 2025年

作者： Xinxin Wang Yucheng Jin Xiya Yang Qingyu Luan Tianyu Wang Dongdong Qi Kang Wang Jianzhuang Jiang College of Chemistry and Materials Science Anhui Normal University Beijing Advanced Innovation Center for Materials Genome engineering Beijing Key Laboratory for Science and Application of Functional Molecular and Crystalline Materials Department of Chemistry and Chemical Engineering School of Chemistry and Biological EngineeringUniversity of Science and Technology Beijing

Lead halide perovskite quantum dots（LHP QDs） have been revealed to possess great potential in photocatalytic applications including CO2reduction, which however suffer from poor stability. Herein, a high crystalline hydrazine-linked three-dimensional（3D） covalent organic framework, USTB-17, was fabricated from the reaction between 12-connected building block and 4-connected 3,5,7-tetrakis（4-aldophenyl）-adamantane. Post-modification with Ni2+affords the metallic framework USTB-17（Ni）followed by sequential deposition of the CH3NH2PbI3（MAPbI3） perovskite QDs into its pores, generating the USTB-17（Ni）@MAPbI3composite. Powder X-ray diffraction analysis together with theoretical simulations and transmission electron microscopy discloses the crystalline nature of USTB-17, USTB-17（Ni）, and USTB-17（Ni）@MAPbI3with an unprecedented noninterpenetrated hpt topology. The close contact of QDs inside the COF pores with the Ni catalytic site locating at the pore surface of COF allows a rapid transfer of the photogenerated electrons in QDs to the Ni catalytic sites, enhancing the photocatalytic activity for CO2reduction. This endows USTB-17（Ni）@MAPbI3with efficient photocatalysis performance for photocatalytic CO2reduction with CO generation rate of 365 μmol g-1h-1and CO selectivity up to 96% under visible-light irradiation, 7 times higher than that of USTB-17（Ni）. After four cycles of reactions, the photocatalytic CO generation rate remains almost unchanged, demonstrating its excellent cycle stability.

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Prediction of Shear Bond Strength of Asphalt Concrete Pavement Using Machine Learning Models and Grid Search Optimization Technique

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Computer Modeling in engineering & Sciences 2025年第1期142卷 691-712页

作者： Quynh-Anh Thi Bui Dam Duc Nguyen Hiep Van Le Indra Prakash Binh Thai Pham Civil engineering department University of Transport Technology54 Trieu KhucThanh XuanHanoi100000Vietnam DDG(R)Geological Survey of India Gandhinagar382010India

Determination of Shear Bond strength(SBS)at interlayer of double-layer asphalt concrete is crucial in flexible pavement *** study used three Machine Learning(ML)models,including K-Nearest Neighbors(KNN),Extra Trees(ET),and Light Gradient Boosting Machine(LGBM),to predict SBS based on easily determinable input ***,the Grid Search technique was employed for hyper-parameter tuning of the ML models,and cross-validation and learning curve analysis were used for training the *** models were built on a database of 240 experimental results and three input variables:temperature,normal pressure,and tack coat *** validation was performed using three statistical criteria:the coefficient of determination(R2),the Root Mean Square Error(RMSE),and the mean absolute error(MAE).Additionally,SHAP analysis was also used to validate the importance of the input variables in the prediction of the *** show that these models accurately predict SBS,with LGBM providing outstanding ***(Shapley Additive explanation)analysis for LGBM indicates that temperature is the most influential factor on ***,the proposed ML models can quickly and accurately predict SBS between two layers of asphalt concrete,serving practical applications in flexible pavement structure design.

关键词： Shear bond asphalt pavement grid search optimization machine learning

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Tuning the interfacial reaction environment via pH-dependent and induced ions to understand C–N bonds coupling performance in NO3- integrated CO2 reduction to carbon and nitrogen compounds over dual Cu-based N-doped carbon catalyst

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Journal of Energy Chemistry 2025年第1期100卷 273-285页

作者： Tianhang Zhou Chen Shen Zhenghao Wu Xingying Lan Yi Xiao College of Carbon Neutrality Future Technology State Key Laboratory of Heavy Oil Processing China University of Petroleum (Beijing) Institute of Materials Science TU Darmstadt department of Chemistry Xi'an Jiaotong-Liverpool University department of Mechanical and Mechatronics engineering and Waterloo Institute of Nanotechnology University of Waterloo Waterloo

Dual atomic catalysts （DAC）,particularly copper （Cu2）-based nitrogen （N） doped graphene,show great potential to effectively convert CO2and nitrate （NO3-） into important industrial chemicals such as ethylene,glycol,acetamide,and urea through an efficient catalytical process that involves C–C and C–N ***,the origin of the coupling activity remained unclear,which substantially hinders the rational design of Cu-based catalysts for the N-integrated CO2reduction reaction （CO2RR）.To address this challenge,this work performed advanced density functional theory calculations incorporating explicit solvation based on a Cu2-based N-doped carbon (Cu2N6C10) catalyst for *** calculations are aimed to gain insight into the reaction mechanisms for the synthesis of ethylene,acetamide,and urea via coupling in the interfacial reaction *** to the sluggishness of CO2,the formation of a solvation electric layer by anions （F-,Cl-,Br-,and I-） and cations (Na+,Mg2+,K+,and Ca2+) leads to electron transfer towards the Cu *** process significantly accelerates the reduction of *** results reveal that*CO intermediates play a pivotal role in N-integrated ***,the Cu2-based N-doped carbon catalyst examined in this study has demonstrated the most potential for C–N coupling to *** findings reveal that through the process of a condensation reaction between*CO and NH2OH for urea synthesis,*NO3-is reduced to*NH3,and*CO2to*CCO at dual Cu atom *** dual-site reduction facilitates the synthesis of acetamide through a nucleophilic reaction between NH3and the ketene ***,we found that the I-and Mg2+ions,influenced by pH,were highly effective for acetamide and ammonia synthesis,except when F-and Ca2+were ***,the mechanisms of C–N bond formation were investigated via ab-initio molecular dynamics simulations,and we found that adjusting the micro-environment can change the dominant side reaction,shift

关键词： Condensation reactions

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