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A deep learning-driven discovery of berberine derivatives as novel antibacterial against multidrug-resistant Helicobacter pylori

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SIGNAL TRANSDUCTION AND TARGETED THERAPY 2024年第1期9卷 1-18页

作者： Guo, Xixi Zhao, Xiaosa Lu, Xi Zhao, Liping Zeng, Qingxuan Chen, Fenbei Zhang, Zhimeng xu, mengyi Feng, Shijiao Fan, Tianyun Wei, Wei Zhang, Xin Pang, Jing You, xuefu Song, Danqing Wang, Yanxiang Jiang, Jiandong Chinese Acad Med Sci & Peking Union Med Coll Inst Med Biotechnol Beijing 100050 Peoples R China Hefei Comprehens Natl Sci Ctr Inst Hlth & Med Hefei 230601 Anhui Peoples R China Northeast Normal Univ Sch Informat Sci & Technol Changchun 130117 Peoples R China Jining Med Univ Affiliated Hosp Dept Pharm Jining 272029 Shandong Peoples R China

Helicobacter pylori (H. pylori) is currently recognized as the primary carcinogenic pathogen associated with gastric tumorigenesis, and its high prevalence and resistance make it difficult to tackle. A graph neural network-based deep learning model, employing different training sets of 13,638 molecules for pre-training and fine-tuning, was aided in predicting and exploring novel molecules against H. pylori. A positively predicted novel berberine derivative 8 with 3,13-disubstituted alkene exhibited a potency against all tested drug-susceptible and resistant H. pylori strains with minimum inhibitory concentrations (MICs) of 0.25-0.5 mu g/mL. Pharmacokinetic studies demonstrated an ideal gastric retention of 8, with the stomach concentration significantly higher than its MIC at 24 h post dose. Oral administration of 8 and omeprazole (OPZ) showed a comparable gastric bacterial reduction (2.2-log reduction) to the triple-therapy, namely OPZ + amoxicillin (AMX) + clarithromycin (CLA) without obvious disturbance on the intestinal flora. A combination of OPZ, AMX, CLA, and 8 could further decrease the bacteria load (2.8-log reduction). More importantly, the mono-therapy of 8 exhibited comparable eradication to both triple-therapy (OPZ + AMX + CLA) and quadruple-therapy (OPZ + AMX + CLA + bismuth citrate) groups. SecA and BamD, playing a major role in outer membrane protein (OMP) transport and assembling, were identified and verified as the direct targets of 8 by employing the chemoproteomics technique. In summary, by targeting the relatively conserved OMPs transport and assembling system, 8 has the potential to be developed as a novel anti-H. pylori candidate, especially for the eradication of drug-resistant strains.

关键词： INFECTION SECA

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基于儿童户外活动特征解析的社区活动空间更新建设策略研究

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风景园林 2024年第8期31卷 86-94页

作者：王霞李可月贾适夷徐梦一四川大学建筑与环境学院四川大学城镇化战略与建筑研究所湖南大学建筑与规划学院西南民族大学建筑学院

【目的】为响应国家“十四五”规划提出的建设儿童友好城市的政策要求,应探索儿童友好的、适宜儿童活动的社区空间环境更新建设策略。【方法】以成都市3个儿童友好型社区试点中的4类活动空间为例,采取社区游憩行为观察系统、核密度估算... 详细信息

【目的】为响应国家“十四五”规划提出的建设儿童友好城市的政策要求,应探索儿童友好的、适宜儿童活动的社区空间环境更新建设策略。【方法】以成都市3个儿童友好型社区试点中的4类活动空间为例,采取社区游憩行为观察系统、核密度估算以及现状调研等方法,采集并分析儿童户外活动情况及社区活动空间环境特征,并建立相关性模型,探究影响儿童户外活动的社区空间环境因子。【结果】发现多个环境因子对儿童活动有显著影响,包括道路平整度、场地规模等,其中看护空间、游戏设施类型、休憩设施、商业设施可达性是影响儿童户外活动密度、时长、活动类型多样性的关键环境因子;据此归纳出促进儿童户外活动的社区空间环境重点建设方向包括:1)合理规划规模较大且毗邻儿童商业的平整场地;2)增设具有吸引力的、完善的配套设施;3)布置合理的看护休憩空间;4)植入新颖多样、互动性强的环境要素。【结论】为建设促进儿童户外活动的社区空间提供了科学依据,有助于在社区中为儿童营造健康友好的成长环境。

关键词：儿童友好设计社区活动空间儿童户外活动社区游憩行为观察系统核密度估算法

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Radiation synthesis and characterization of 3-（trimethoxysilyl） propyl methacrylate silanized silica-graft-vinyl imidazole for Hg（Ⅱ） adsorption

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Nuclear Science and Techniques 2013年第B12期24卷 43-47页

作者： SUN Jian CHEN Zhimin GE mengyi xu Ling Beijing Key Laboratory for Solid Waste Utilization and Management Department of Energy and Resources Engineering College of Engineering Peking University Beijing 100871 China

Silica-based adsorbent was prepared by radiation induced grafting of vinyl imidazole (VIM) onto the silanized silica, which was silanized by 3-(trimethoxysilyl) propyl methacrylate. The effects of monomer composition and absorbed dose on the grafting yield were investigated to optimize the reaction conditions. The results showed that a VIM concentration of 2.5 mol·dm-3 and an absorbed dose of 50 kGy were the optimal reaction conditions. FT IR and XPS spectra manifested that VIM was successfully grafted onto the silica surface. The SS-g-VIM adsorbent had excellent selectivity for Hg(II) adsorption in mixture divalent cationic metal solution and a maximum adsorption capacity of ca. 78 mg/g to Hg(II) at pH 5. The adsorption isotherm was investigated and the adsorption of Hg(II) fitted well with Langmuir mode. These results suggested that SS-g-VIM adsorbent has potential application for the removal of Hg(II) from wastewater. © 2013, Science Press. All rights reserved.

关键词：甲基丙烯酸酯二氧化硅三甲氧基吸附剂接枝率硅烷化乙烯基除汞

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聚丙烯/氧化锆复合材料的制备及介电性能研究

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中国塑料 2024年第3期38卷 44-48页

作者：国江许梦伊李辉黄想林浩姜胜宝陈尚陈程中国电力科学研究院有限公司北京100089

通过乳液包覆法对氧化锆(ZrO_(2))粉末进行表面改性,以提高其在聚丙烯(PP)基体中的分散性,继而探究改性聚丙烯/氧化锆复合材料(PP/g-ZrO_(2))的介电性能、热学性能和力学性能。结果表明,1 kHz测试频率下时,当g-ZrO_(2)添加含量为50%时,P... 详细信息

通过乳液包覆法对氧化锆(ZrO_(2))粉末进行表面改性,以提高其在聚丙烯(PP)基体中的分散性,继而探究改性聚丙烯/氧化锆复合材料(PP/g-ZrO_(2))的介电性能、热学性能和力学性能。结果表明,1 kHz测试频率下时,当g-ZrO_(2)添加含量为50%时,PP/g-ZrO_(2)的介电常数提高至4.28,介电损耗缓慢提升;此外,改性后复合材料在400℃时的热稳定性明显提高,当g-ZrO_(2)添加量为20%时,复合材料拉伸强度可达38.33 MPa,结合改性前后ZrO_(2)在PP基体中的团聚状态分析,当ZrO_(2)填料添加量为30%时,复合材料的综合性能最优。

关键词：氧化锆聚丙烯介电性能热稳定性复合材料

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Rectified Ion Transport in Ultra-thin Membrane Governed by Outer Membrane Electric Double Layer

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Chinese Journal of Chemistry 2020年第12期38卷 1757-1761页

作者： Zhenkun Zhang Chao Wang Lingxin Lin mengyi xu Yichun Wu Liuxuan Cao College of Energy Xiamen UniversityXiomenFujian 361005China Fujian Research Center for Unclear Engineering XiamenFujian 361005China

of main observation and conclusion The outstanding combination of selectivity and permeability observed in ultra-thin nanoporous mem-branes atracts broad interest from both fundamental research and practical application aspects.t is reported that the asymmetrical ion transport can berealized through the modfication of polyelectrolytes on the outer membranes ***,the related mechanisms are til nclear which hinderstheir ***,we systematclly investigate the origin of the ion current rectification in heterogeneously charged ultra-thin *** resuts based on the contiuity model suggest that,the ion transport across the ulra-thin membrane is dominated by the charge on the outermembrane surfoce rather than the pore *** overlap of electric double layer outside the pore entrance is essential fpr the ion asymmetric *** t acordingly results in the fact that the ion concentration enrichment and depletion effect ocurring outside the nanopore orifices governs the highand low ionic conductance states under the applied *** features can be regulated by the membrane surface state,which is truly attractive *** the surfaces of the outer membrane can be easily modified by experimental *** findings provide the renew inspiration for the design of high-performance 2D nanofluidic devices.

关键词： outside outer attractive

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基于参与式设计的城市户外儿童游戏空间需求研究

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华中建筑 2024年第5期42卷 11-15页

作者：李佳宸王霞王倩娜徐梦一胡蝶四川大学建筑与环境学院湖南大学建筑与规划学院西南民族大学建筑学院

在我国儿童友好城市建设如火如荼的时代背景下,成人主导与儿童缺位导致建成户外游戏空间忽视了儿童真正的游戏需求,探索儿童对城市户外游戏空间的需求迫在眉睫。该文基于儿童参与式设计实践,通过草图绘制、模型制作、问卷调查等方式对... 详细信息

在我国儿童友好城市建设如火如荼的时代背景下,成人主导与儿童缺位导致建成户外游戏空间忽视了儿童真正的游戏需求,探索儿童对城市户外游戏空间的需求迫在眉睫。该文基于儿童参与式设计实践,通过草图绘制、模型制作、问卷调查等方式对成都市6~14岁城市儿童的户外游戏空间需求进行深度调查。结果发现,相较于传统游戏场,更多元的环境要素、更自然的空间设计、更现代的基础设施及更冒险的游戏形式对儿童游戏行为具有积极影响。基于上述成果,研究对建设满足儿童真实需求的儿童友好型城市户外游戏空间提出相应优化策略,以期为儿童参与式设计实践模式构建及儿童友好型城市空间建设提供参考。

关键词：儿童友好儿童参与式设计户外游戏空间游戏偏好游戏空间需求

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Structure-Preserving Recurrent Neural Networks for a Class of Birkhoffian Systems

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Journal of Systems Science & Complexity 2024年第2期37卷 441-462页

作者： XIAO Shanshan CHEN mengyi ZHANG Ruili TANG Yifa LSEC ICMSECAcademy of Mathematics and Systems ScienceChinese Academy of SciencesBeijing 100190China School of Mathematical Sciences University of Chinese Academy of SciencesBeijing 100049China School of Mathematics and Statistics Beijing Jiaotong UniversityBeijing 100044China

In this paper,the authors propose a neural network architecture designed specifically for a class of Birkhoffian systems—The Newtonian *** proposed model utilizes recurrent neural networks(RNNs)and is based on a mathematical framework that ensures the preservation of the Birkhoffian *** authors demonstrate the effectiveness of the proposed model on a variety of problems for which preserving the Birkhoffian structure is important,including the linear damped oscillator,the Van der Pol equation,and a high-dimensional *** with the unstructured baseline models,the Newtonian neural network(NNN)is more data efficient,and exhibits superior generalization ability.

关键词： Birkhoffian system k(z,t)-symplectic neural networks recurrent neural network

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Multimodal Social Media Fake News Detection Based on Similarity Inference and Adversarial Networks

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Computers, Materials & Continua 2024年第4期79卷 581-605页

作者： Fangfang Shan Huifang Sun mengyi Wang College of Computer Zhongyuan University of TechnologyZhengzhou450007China Henan Key Laboratory of Cyberspace Situation Awareness Zhengzhou 450001China

As social networks become increasingly complex, contemporary fake news often includes textual descriptionsof events accompanied by corresponding images or videos. Fake news in multiple modalities is more likely tocreate a misleading perception among users. While early research primarily focused on text-based features forfake news detection mechanisms, there has been relatively limited exploration of learning shared representationsin multimodal (text and visual) contexts. To address these limitations, this paper introduces a multimodal modelfor detecting fake news, which relies on similarity reasoning and adversarial networks. The model employsBidirectional Encoder Representation from Transformers (BERT) and Text Convolutional Neural Network (Text-CNN) for extracting textual features while utilizing the pre-trained Visual Geometry Group 19-layer (VGG-19) toextract visual features. Subsequently, the model establishes similarity representations between the textual featuresextracted by Text-CNN and visual features through similarity learning and reasoning. Finally, these features arefused to enhance the accuracy of fake news detection, and adversarial networks have been employed to investigatethe relationship between fake news and events. This paper validates the proposed model using publicly availablemultimodal datasets from Weibo and Twitter. Experimental results demonstrate that our proposed approachachieves superior performance on Twitter, with an accuracy of 86%, surpassing traditional unimodalmodalmodelsand existing multimodal models. In contrast, the overall better performance of our model on the Weibo datasetsurpasses the benchmark models across multiple metrics. The application of similarity reasoning and adversarialnetworks in multimodal fake news detection significantly enhances detection effectiveness in this paper. However,current research is limited to the fusion of only text and image modalities. Future research directions should aimto further integrate f

关键词： Fake news detection attention mechanism image-text similarity multimodal feature fusion

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Taxonomy and phylogeny of the section Chaetoceros(Chaetocerotaceae,Bacillariophyta),with description of two new species

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Journal of Oceanology and Limnology 2024年第4期42卷 1286-1311页

作者： xudan LU mengyi ZHAI Nina LUNDHOLM Yang LI Guangdong Provincial Key Laboratory of Biotechnology for Plant Development Guangzhou Key Laboratory of Subtropical Biodiversity and BiomonitoringCollege of Life ScienceSouth China Normal UniversityGuangzhou 510631China Natural History Museum of Denmark University of CopenhagenCopenhagen K 1353Denmark

Chaetoceros Ehrenberg is one of the most diverse genera of planktonic *** species in section Chaetoceros are characterized by cells and setae having numerous chloroplasts and being widely ***,the delimitations of some species are problematic because of limited morphological information in the classical *** strains of the section Chaetoceros were established,morphological features were studied using light and electron microscopy,and the hypervariable D 1-D 3 region of the nuclear ribosomal large subunit gene was sequenced to address phylogenetic *** species belonging to the section Chaetoceros were recorded,including two new species,*** *** *** *** hainanensis was characterized by straight chains,narrowly lanceolate to hexagonal apertures,sibling setae diverging in nearly right angles,stipule-shaped spines on terminal setae and arrowhead-shaped spines on intercalary *** had short straight chains,narrowly lanceolate apertures,arrowhead-shaped spines and circular poroids arranged in a grid pattern on terminal and intercalary *** phylogenetic analyses revealed six groups formed by 19 species within the section Chaetoceros,which was found to be *** subdivision of the section is still not well *** morphological characters within each group varied considerably and molecular information on more species are needed to enrich the phylogenetic profiling.

关键词： morphology large subunit ribosomal RNA encoding gene(LSU) section Chaetoceros Chaetoceros hainanensis Chaetoceros tridiscus

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Multichannel microneedle dry electrode patches for minimally invasive transdermal recording of electrophysiological signals

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Microsystems & Nanoengineering 2024年第3期10卷 119-136页

作者： Zhengjie Liu Xingyuan xu Shuang Huang Xinshuo Huang Zhibo Liu Chuanjie Yao mengyi He Jiayi Chen Hui-jiuan Chen Jing Liu Xi Xie State Key Laboratory of Optoelectronic Materials and Technologies School of Electronics and Information TechnologyGuangdong Province Key Laboratory of Display Material and TechnologySun Yat-Sen UniversityGuangzhouChina School of Biomedical Engineering Sun Yat-Sen UniversityGuangzhouChina The First Affiliated Hospital of Sun Yat-Sen University GuangzhouChina

The collection of multiple-channel electrophysiological signals enables a comprehensive understanding of the spatial distribution and temporal features of electrophysiological *** approach can help to distinguish the traits and patterns of different ailments to enhance diagnostic *** array electrodes,which can penetrate skin without pain,can lessen the impedance between the electrodes and skin;however,current microneedle methods are limited to single channels and cannot achieve multichannel collection in small ***,a multichannel(32 channels)microneedle dry electrode patch device was developed via a dimensionality reduction fabrication and integration approach and supported by a self-developed circuit system to record weak electrophysiological signals,including electroencephalography(EEG),electrocardiogram(ECG),and electromyography(EMG)*** microneedles reduced the electrode–skin contact impedance by penetrating the nonconducting stratum corneum in a painless *** multichannel microneedle array(MMA)enabled painless transdermal recording of multichannel electrophysiological signals from the subcutaneous space,with high temporal and spatial resolution,reaching the level of a single microneedle in terms of signal *** MMA demonstrated the detection of the spatial distribution of ECG,EMG and EEG signals in live rabbit models,and the microneedle electrode(MNE)achieved better signal quality in the transcutaneous detection of EEG signals than did the conventional flat dry electrode *** work offers a promising opportunity to develop advanced tools for neural interface technology and electrophysiological recording.

关键词： needle rabbit electrode

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