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Chemical Research in Chinese Universities 2019年第3期35卷 410-417页

作者： MA Junjie HUANG Kun NI Xin chen roufen XU Boxuan WANG Cuifang School of Medicine Huaqiao UniversityQuanzhou 362000P.R.China Key Laboratory of Structure-based Drug Design and Discovery Ministry of EducationShenyang Pharmaceutical UniversityShenyang 110016P. R. China College of Oceanology and Food Science Quanzhou Normal UniversityQuanzhou 362000P.R.China

A hybrid pharmacophore approach was used to design and synthesize a series of coumarin derivatives bearing 2-methylbiphenyl moiety, which were evaluated for their in vitro anticancer activities against four cancer cell lines(MCF-75 A549, H460 and HT29) and PD-1/PD-L1 inhibitory activities. Moreover, several compounds with excellent anticancer activities were selected to evaluate the cytotoxicities against one normal cell line(HEK-293). The most promising compound llo showed the best anticancer activities against the four tested cancer cell lines with the IC50 values of 6.45, 8.65, 6,57 and 8.13 gmol/L, respectively, and displayed weak cytotoxicity on the normal cell(HEK-293). Furthermore, screening of PD-1 /PD-L1 inhibitory activity revealed that compound llo could effectively inhibit the binding of PD-1/PD-L1, and the binding interactions of compound llo with PD-L1 protein were explored by molecular docking. All above evidences showed that compound llo might be worthy of further study as a valuable leading compound for the treatment of cancer.

关键词： Coumarin 2-Methylbiphenyl Anticancer activity PD-1/PD-L1 inhibitory activity Molecular docking

基于人工智能的小分子生成模型在药物发现中的研究进展

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中国药科大学学报 2024年第3期55卷 295-305页

作者：唐谦陈柔棻沈哲远池幸龙车金鑫董晓武浙江省药品化妆品审评中心杭州310012 浙江大学药学院杭州310058 杭州医学院杭州310013

随着人工智能技术的快速发展,小分子生成模型已成为药物发现领域的重要研究方向。该类模型,包括生成对抗网络(GANs)、变分自编码器(VAEs)和扩散模型等,已被证明在优化药物属性和生成复杂分子结构方面具有显著能力。本文综合分析了上述... 详细信息

随着人工智能技术的快速发展,小分子生成模型已成为药物发现领域的重要研究方向。该类模型,包括生成对抗网络(GANs)、变分自编码器(VAEs)和扩散模型等,已被证明在优化药物属性和生成复杂分子结构方面具有显著能力。本文综合分析了上述先进技术在药物发现过程中的应用,展示了其如何补充和改进传统药物设计方法。同时,提出了当前方法在数据质量、模型复杂性、计算成本及泛化能力等方面的挑战,并对未来的研究方向进行了展望。

关键词：小分子生成模型药物发现人工智能技术

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以培养创新型人才为导向的药物化学课程教学

药学教育 2020年第2期36卷 37-40页

作者：马俊杰黄坤倪欣陈柔芬华侨大学医学院泉州362021

随着中国医药产业逐渐从仿制药领域向创新药物领域转型,创新型药学人才成为医药企业健康稳定发展的迫切需求。药物化学作为药物设计和开发的基础学科,对培养创新型人才起着至关重要的作用。以培养创新型人才为导向,从教学内容、教学方... 详细信息

随着中国医药产业逐渐从仿制药领域向创新药物领域转型,创新型药学人才成为医药企业健康稳定发展的迫切需求。药物化学作为药物设计和开发的基础学科,对培养创新型人才起着至关重要的作用。以培养创新型人才为导向,从教学内容、教学方式及教学实践三个方面对药物化学课程教学进行探索。

关键词：创新型人才药物化学教学内容教学方法教学实践

Role of the Greenland Sea ice anomaly in the late-spring drought over Northwest China

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Atmospheric and Oceanic Science Letters 2025年第1期18卷 1-5页

作者： Yang Liu Huopo chen Nansen-Zhu International Research Centre Institute of Atmospheric Physics Chinese Academy of SciencesBeijingChina Collaborative Innovation Center on Forecast and Evaluation of Meteorological Disasters Nanjing University for Information Science and TechnologyNanjingChina

Drought across Northwest China in late spring has exerted a vital effect on the local climate and agricultural production,and has been alleviated during the past *** study explored the influence of the preceding Arctic sea ice on the May drought in Northwest China caused by the precipitation *** analysis indicated that when the Greenland Sea ice concentration is abnormally high during February to April,the dry conditions in Northwest China tend to be *** increase of sea ice in the Greenland Sea can excite a meridional circulation,which causes sea surface temperature(SST)anomalies in the North Atlantic via the sea-air interaction,manifested as significant warm SST anomalies over the south of Greenland and the subtropical North Atlantic,but negative SST anomalies over the west of the *** abnormal SST pattern maintains to May and triggers a zonal wave train from the North Atlantic through Scandinavia and Central Asia to Northwest China,leading to abnormal cyclones in Northwest ***,Northwest China experiences a more humid climate than usual.

关键词： Arctic sea ice Greenland Sea North Atlantic SST Drought Northwest China

Cell polarization in ischemic stroke: molecular mechanisms and advances

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Neural Regeneration Research 2025年第3期20卷 632-645页

作者： Yuanwei Li Xiaoxiao Xu Xuan Wu Jiarui Li Shiling chen Danyang chen Gaigai Li Zhouping Tang Department of Neurology Tongji HospitalTongji Medical CollegeHuazhong University of Science and TechnologyWuhanHubei ProvinceChina

Ischemic stroke is a cerebrovascular disease associated with high mortality and disability rates. Since the inflammation and immune response play a central role in driving ischemic damage, it becomes essential to modulate excessive inflammatory reactions to promote cell survival and facilitate tissue repair around the injury site. Various cell types are involved in the inflammatory response, including microglia, astrocytes, and neutrophils, each exhibiting distinct phenotypic profiles upon stimulation. They display either proinflammatory or anti-inflammatory states, a phenomenon known as ‘cell polarization.’ There are two cell polarization therapy strategies. The first involves inducing cells into a neuroprotective phenotype in vitro, then reintroducing them autologously. The second approach utilizes small molecular substances to directly affect cells in vivo. In this review, we elucidate the polarization dynamics of the three reactive cell populations(microglia, astrocytes, and neutrophils) in the context of ischemic stroke, and provide a comprehensive summary of the molecular mechanisms involved in their phenotypic switching. By unraveling the complexity of cell polarization, we hope to offer insights for future research on neuroinflammation and novel therapeutic strategies for ischemic stroke.

关键词： astrocyte polarization immune regulation inflammation ischemic injury microglia polarization neutrophil polarization signaling pathways stroke

Engineering atomic Rb-N configurations to tune radical pathways for highly selective photocatalytic H2O2 synthesis coupled with biomass valorization

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Journal of Energy Chemistry 2025年第1期100卷 215-225页

作者： Jiaye Li Shuang Pan Yihuang chen Qiong Liu College of Chemistry and Materials Engineering Wenzhou University Guangdong Provincial Key Laboratory of Chemical Measurement and Emergency Test Technology (China) Institute of Analysis Guangdong Academy of Sciences (China National Analytical CenterGuangzhou)

Photocatalytic oxygen reduction for hydrogen peroxide （H2O2） synthesis presents a green and costeffective production ***,achieving highly selective H2O2synthesis remains challenging,necessitating precise control over free radical reaction pathways and minimizing undesirable oxidative ***,we report for the visible light-driven simultaneous co-photocatalytic reduction of O2to H2O2and oxidation of biomass using the atomic rubidium-nitride modified carbon nitride（CNRb）.The optimized CNRb catalyst demonstrates a record photoreduction rate of 8.01 mM h-1for H2O2generation and photooxidation rate of 3.75 mM h-1for furfuryl alcohol to furoic acid,achieving a remarkable solar-to-chemical conversion （SCC） efficiency of up to 2.27%.Experimental characterizations and DFT calculation disclosed that the introducing atomic Rb–N configurations allows for the high-selective generation of superoxide radicals while suppressing hydroxyl free radical *** is because the Rb–N serves as the new alternative site to perceive a stronger connection position for O2adsorption and reinforce the capability to extract protons,thereby triggering a high selective redox product *** study holds great potential in precisely regulating reactive radical processes at the atomic level,thereby paving the way for efficient synthesis of H2O2coupled with biomass valorization.

关键词： Atomic economy Radical pathway regulation Rubidium atom coordination Biomass valorization

Multi-layer multi-pass friction rolling additive manufacturing of Al alloy:Toward complex large-scale high-performance components

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 425-438页

作者： Haibin Liu Run Hou chenghao Wu Ruishan Xie Shujun chen College of Mechanical&Energy Engineering Beijing University of TechnologyBeijing 100124China Chongqing Research Institute of Beijing University of Technology Chongqing 401121China

At present,the emerging solid-phase friction-based additive manufacturing technology,including friction rolling additive man-ufacturing(FRAM),can only manufacture simple single-pass *** this study,multi-layer multi-pass FRAM-deposited alumin-um alloy samples were successfully prepared using a non-shoulder tool *** material flow behavior and microstructure of the over-lapped zone between adjacent layers and passes during multi-layer multi-pass FRAM deposition were studied using the hybrid 6061 and 5052 aluminum *** results showed that a mechanical interlocking structure was formed between the adjacent layers and the adja-cent passes in the overlapped center *** friction and rolling of the tool head led to different degrees of lateral flow and plastic deformation of the materials in the overlapped zone,which made the recrystallization degree in the left and right edge zones of the over-lapped zone the highest,followed by the overlapped center zone and the non-overlapped *** tensile strength of the overlapped zone exceeded 90%of that of the single-pass deposition *** is proved that although there are uneven grooves on the surface of the over-lapping area during multi-layer and multi-pass deposition,they can be filled by the flow of materials during the deposition of the next lay-er,thus ensuring the dense microstructure and excellent mechanical properties of the overlapping *** multi-layer multi-pass FRAM deposition overcomes the limitation of deposition width and lays the foundation for the future deposition of large-scale high-performance components.

关键词： aluminum alloy additive manufacturing solid-state friction stir welding multi-layer multi-pass

Brain region-specific roles of brain-derived neurotrophic factor in social stress-induced depressive-like behavior

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Neural Regeneration Research 2025年第1期20卷 159-173页

作者： Man Han Deyang Zeng Wei Tan Xingxing chen Shuyuan Bai Qiong Wu Yushan chen Zhen Wei Yufei Mei Yan Zeng Brain Science and Advanced Technology Institute Wuhan University of Science and TechnologyWuhanHubei ProvinceChina Geriatric Hospital Affiliated to Wuhan University of Science and Technology WuhanHubei ProvinceChina School of Public Health Wuhan University of Science and TechnologyWuhanHubei ProvinceChina

Brain-derived neurotrophic factor is a key factor in stress adaptation and avoidance of a social stress behavioral *** studies have shown that brain-derived neurotrophic factor expression in stressed mice is brain region–specific,particularly involving the corticolimbic system,including the ventral tegmental area,nucleus accumbens,prefrontal cortex,amygdala,and *** how brain-derived neurotrophic factor participates in stress processing in different brain regions will deepen our understanding of social stress *** this review,we discuss the expression and regulation of brain-derived neurotrophic factor in stress-sensitive brain regions closely related to the pathophysiology of *** focused on associated molecular pathways and neural circuits,with special attention to the brain-derived neurotrophic factor–tropomyosin receptor kinase B signaling pathway and the ventral tegmental area–nucleus accumbens dopamine *** determined that stress-induced alterations in brain-derived neurotrophic factor levels are likely related to the nature,severity,and duration of stress,especially in the above-mentioned brain regions of the corticolimbic ***,BDNF might be a biological indicator regulating stress-related processes in various brain regions.

关键词： amygdala chronic mild stress chronic social defeat stress corticolimbic system depression hippocampus medial prefrontal cortex nucleus accumbens social stress models ventral tegmental area

A Novel Self-Supervised Learning Network for Binocular Disparity Estimation

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Computer Modeling in Engineering & Sciences 2025年第1期142卷 209-229页

作者： Jiawei Tian Yu Zhou Xiaobing chen Salman A.AlQahtani Hongrong chen Bo Yang Siyu Lu Wenfeng Zheng Department of Computer Science and Engineering Major in Bio Artificial IntelligenceHanyang UniversityAnsan-si15577Republic of Korea School of Electrical and Computer Engineering Louisiana State UniversityBaton RougeLA 70803USA Department of Computer Engineering College of Computer and Information SciencesKing Saud UniversityRiyadh11574Saudi Arabia School of Automation University of Electronic Science and Technology of ChinaChengdu610054China

Two-dimensional endoscopic images are susceptible to interferences such as specular reflections and monotonous texture illumination,hindering accurate three-dimensional lesion reconstruction by surgical *** study proposes a novel end-to-end disparity estimation model to address these *** approach combines a Pseudo-Siamese neural network architecture with pyramid dilated convolutions,integrating multi-scale image information to enhance robustness against lighting *** study introduces a Pseudo-Siamese structure-based disparity regression model that simplifies left-right image comparison,improving accuracy and *** model was evaluated using a dataset of stereo endoscopic videos captured by the Da Vinci surgical robot,comprising simulated silicone heart sequences and real heart video *** results demonstrate significant improvement in the network’s resistance to lighting interference without substantially increasing ***,the model exhibited faster convergence during training,contributing to overall performance *** study advances endoscopic image processing accuracy and has potential implications for surgical robot applications in complex environments.

关键词： Parallax estimation parallax regression model self-supervised learning Pseudo-Siamese neural network pyramid dilated convolution binocular disparity estimation

Toward understanding the role of genomic repeat elements in neurodegenerative diseases

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Neural Regeneration Research 2025年第3期20卷 646-659页

作者： Zhengyu An Aidi Jiang Jingqi chen Institute of Science and Technology for Brain-Inspired Intelligence Fudan UniversityShanghaiChina MOE Frontiers Center for Brain Science Fudan UniversityShanghaiChina MOE Key Laboratory of Computational Neuroscience and Brain-Inspired Intelligence Fudan UniversityShanghaiChina Zhangjiang Fudan International Innovation Center ShanghaiChina

Neurodegenerative diseases cause great medical and economic burdens for both patients and society;however, the complex molecular mechanisms thereof are not yet well understood. With the development of high-coverage sequencing technology, researchers have started to notice that genomic repeat regions, previously neglected in search of disease culprits, are active contributors to multiple neurodegenerative diseases. In this review, we describe the association between repeat element variants and multiple degenerative diseases through genome-wide association studies and targeted sequencing. We discuss the identification of disease-relevant repeat element variants, further powered by the advancement of long-read sequencing technologies and their related tools, and summarize recent findings in the molecular mechanisms of repeat element variants in brain degeneration, such as those causing transcriptional silencing or RNA-mediated gain of toxic function. Furthermore, we describe how in silico predictions using innovative computational models, such as deep learning language models, could enhance and accelerate our understanding of the functional impact of repeat element variants. Finally, we discuss future directions to advance current findings for a better understanding of neurodegenerative diseases and the clinical applications of genomic repeat elements.

关键词： Alzheimer's disease ataxia deep learning long-read sequencing neurodegeneration neurodegenerative diseases Parkinson's disease repeat element structural variant