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(Q)SAR modelling of nanomaterial toxicity:A critical review

Particuology 2015年第4期13卷 1-19页

作者： Ceyda Oksel Cai Y.Ma Jing J.Liu Terry Wilkins xue z.Wang Institute of Particle Science and Engineering School of Chemical and Process EngineeringUniversity of Leeds School of Chemistry and Chemical Engineering South China University of Technology

There is increasing recognition that some nanomaterials may pose a risk to human health and the environment. Moreover, the industrial use of the novel engineered nanomaterials （ENMs） increases at a higher rate than data generation for hazard assessment; consequently, many of them remain untested. The large number of nanomaterials and their variants （e.g., different sizes and coatings） requiring testing and the ethical pressure towards nonanimal testing means that in a first instance, expensive animal bioassays are precluded, and the use of（quantitative） structure-activity relationships （（Q）SARs） models as an alter- native source of （screening） hazard information should be explored. （Q）SAR modelling can be applied to contribute towards filling important knowledge gaps by making best use of existing data, prioritizing the physicochemical parameters driving toxicity, and providing practical solutions for the risk assessment problems caused by the diversity of ENMs. This paper covers the core components required for successful application of （Q）SAR methods to ENM toxicity prediction, summarizes the published nano-（Q）SAR studies, and outlines the challenges ahead for nano-（Q）SAR modelling. It provides a critical review of （1） the present availability of ENM characterization/toxicity data, （2） the characterization of nanostructures that meet the requirements for （Q）SAR analysis, （3） published nano-（Q）SAR studies and their limitations, （4） in silico tools for （Q）SAR screening of nanotoxicity, and （5） prospective directions for the development of nano-（Q）SAR models.

关键词： Nanomaterial toxicity Nanotoxicology QSAR NanoSAR In silico toxicity prediction

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肝射频消融术相对肝切除术对围手术期炎症反应的影响

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海军军医大学学报 2024年第6期45卷 776-780页

作者：田雪韩侨宇安海燕冯艺北京大学人民医院麻醉科北京100044

目的评估择期肝切除术与肝射频消融术患者围手术期血浆IL-6、IL-10、CRP的水平,探讨2种手术方式围手术期炎症反应程度及其与短期预后的关系。方法纳入37例肝占位患者为研究对象,其中择期肝切除术19例、肝射频消融术18例。采用ELISA法检... 详细信息

目的评估择期肝切除术与肝射频消融术患者围手术期血浆IL-6、IL-10、CRP的水平,探讨2种手术方式围手术期炎症反应程度及其与短期预后的关系。方法纳入37例肝占位患者为研究对象,其中择期肝切除术19例、肝射频消融术18例。采用ELISA法检测患者术前、术毕及术后不同时间点血浆IL-6、IL-10、CRP水平,通过非参数检验判断治疗前后的动态变化,并比较2种手术方式围手术期炎症因子水平及预后指标。结果治疗前后肝切除术患者围手术期血浆IL-6、IL-10、CRP水平及肝射频消融术患者IL-6、CRP水平均存在动态变化(均P0.05)。与肝切除术患者比较,射频消融术术后48 h CRP水平降低,术后住院时间缩短(均P<0.05)。结论肝射频消融术后全身炎症反应程度相对较小,可能有利于患者加速康复。

关键词：肝切除术肝射频消融术白细胞介素6 白细胞介素10 C反应蛋白围手术期

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Effects of austempering temperature on microstructure and surface residual stress of carbidic austempered ductile iron(CADI) grinding balls

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China Foundry 2018年第3期15卷 173-181页

作者： Jin-hai Liu Peng Xiong Bin-guo Fu Wei-ting Yang xue-bo zhao zi-ang Han Guo-lu Li School of Materials Science and Engineering Hebei University of Technology

The effects of austempering temperature on microstructure and surface residual stress of carbidic austempered ductile iron （CADI） grinding balls were systematically investigated in this work. The microstructures were oberserved by optical metallography and analyized by X-ray diffraction. The surface residual stress measured by the cutting method is mainly composed of thermal stress and phase transformation *** thermal stress in grinding balls was determined by ANSYS simulation technique, and the surface phase transformation stress was obtained by subtracting the simulated surface thermal stress from the measured surface residual stress. Results show that all microstructures consist of ausferrite, white-bright zones （mixture of martensite and austenite）, nodular graphite, and carbides. The distribution of ausferrite shows uniform. With the increase of austempering temperature, the volume fraction and carbon content of austenite increase, whereas the amount of white-bright zone decreases. In addition, the surface residual stress increases with the increase of austempering temperature. Only the tension exists at the austempering temperature of 200 ℃, and the pressure exists at the austempering temperature of 220-260 °C. The thermal stress changes from the tension on the inside with the radius of 0-35 mm to the pressure on the outside with the radius of 35-62.5 mm, and the stress balance state presents at the radius of 35 mm. It is also found that the transformation stress is related to the content of carbon-rich austenite, and will reduce by 5.03 MPa accompanied with 1vol.% increase of the *** thermal compressive stress and the transformation tensile stress on the surface both decrease with the increase of the austempering temperature.

关键词： CADI grinding balls austempering temperature ANSYS microstructure residual stress

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Particle shape characterisation and classification using automated microscopy and shape descriptors in batch manufacture of particulate solids

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Particuology 2016年第1期14卷 61-68页

作者： Yang z.ang Jing J. Liu Lei z.ang Jorge Calderon De Anda xue z. Wang School of Chemistry and Chemical Engineering South China University of Technology 381 Wushan Road Guangzhou 510641 China School of Bioscience and Bioengineering South China University of Technology Guangzhou Higher Education Mega Centre Panyu District Guangzhou510006 China Institute of Particle Science and Engineering School of Chemical and Process Engineering University of Leeds Leeds I52 9JT UK

It is known that size alone, which is often defined as the volume-equivalent diameter, is not sufficient to characterize many particulate products. The shape of crystalline products can be as important as size in many applications, Traditionally, particulate shape is often defined by several simple descriptors such as the maximum length and the aspect ratio. Although these descriptors are intuitive, they result in a loss of information about the original shape. This paper presents a method to use principal component analysis to derive simple latent shape descriptors from microscope images of particulate products made in batch processes, and the use of these descriptors to identify batch-to-batch variations. Data from batch runs of both a laboratory crystalliser and an industrial crystallisation reactor are analysed using the described approach. Qualitative and quantitative comparisons with the use of traditional shape descriptors that have nhwical meanings and Fourier shape descriptors are also made.

关键词： Batch-to-batch variation Classification Principal components analysis Shape descriptors

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Distribution Patterns of Major and Trace Elements and Provenance of Surface Sediments on the Continental Shelf off Western Guangdong Province and Northeastern Hainan Island

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Journal of Ocean University of China 2019年第4期18卷 849-858页

作者： GE Qian xue z. George YE Liming XU Dong YAO zhigang CHU Fengyou Key Laboratory of Submarine Geosciences State Oceanic Administration Hangzhou 310012 China Second Institute of Oceanography Ministry of Natural Resources Hangzhou 310012 China Department of Oceanography and Coastal Sciences Louisiana State University Baton Rouge LA 70803 USA Center for Computation and Technology Louisiana State University Baton Rouge LA 70803 USA Coastal Studies Institute Louisiana State University Baton Rouge LA 70803 USA Key Laboratory of Physical Oceanography Ocean University of China Qingdao 266100 China

A coupled approach based on grain size and geochemical elements is used to trace the provenance of surface sediments and to confirm the distribution patterns of grain size and elements on the continental shelf off western Guangdong Province and northeastern Hainan Island. The mean grain size ranges from 0.05 φ to 7.28 φ with a mean value of 5.60 φ. The average concentra- tions of major elements descend in the order of SiO2 > Al2O3 > CaO > Fe2O3 > K2O > MgO > Na2O > TiO2 > P2O5 > MnO, while those of trace elements exhibit a descending order of Sr > Rb > zn > V > Cr > Pb > Ni > Cu > As > Cd. On the basis of the distribution patterns of elements and results of statistical analysis, the study area is classified into three zones. zone I locates on the continental shelf off western Guangdong Province, and the sediments are mainly from Pearl River, Taiwan Residents rivers, and small rivers nearby. zone II locates in the eastern exit of Qiongzhou Strait and the coastal area off Leizhou Peninsula, and the sediments are mainly from the ero- sion products of Qiongzhou Strait and Hainan Island. zone III locates off the eastern Hainan Island and the continental shelf deeper than 50 m isobaths, and the sediments are mainly from Hainan Island and coral reef. The influence from open water should also be considered. Results indicate that the grain size is the main controlling factor for major and trace element contents and that anthropo- genic impact and biological activity also play an important role in the distribution of these elements.

关键词： grain size geochemical elements western Guangdong Province northeastern Hainan Island controlling factor

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TUG-891 inhibits neuronal endoplasmic reticulum stress and pyroptosis activation and protects neurons in a mouse model of intraventricular hemorrhage

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Neural Regeneration Research 2023年第10期18卷 2278-2284页

作者： Hao-Xiang Wang Chang Liu Yuan-You Li Yi Cao Long zhao Yan-Jie zhao zi-ang Deng Ai-Ping Tong Liang-xue zhou Department of Neurosurgery West China HospitalSichuan UniversityChengduSichuan ProvinceChina Department of Neurosurgery The First Affiliated Hospital of Chongqing Medical UniversityChongqingChina Department of Neurosurgery Chengdu Second People’s HospitalChengduSichuan ProvinceChina Department of Neurosurgery Affiliated Hospital of North Sichuan Medical CollegeNanchongSichuan ProvinceChina State Key Laboratory of Biotherapy West China Medical SchoolSichuan UniversityChengduSichuan ProvinceChina

Pyroptosis plays an important role in hemorrhagic *** endoplasmic reticulum stress can cause endoplasmic reticulum dysfunction and cellular pyroptosis by regulating the nucleotide-binding oligomerization domain and leucine-rich repeat pyrin domain-containing protein 3(NLRP3)***,the relationship between pyroptosis and endoplasmic reticulum stress after intraventricular hemorrhage is *** this study,we established a mouse model of intraventricular hemorrhage and found pyroptosis and endoplasmic reticulum stress in brain *** injection of the selective GPR120 agonist TUG-891 inhibited endoplasmic reticulum stress,pyroptosis,and inflammation and protected *** neuroprotective effect of TUG-891 appears related to inhibition of endoplasmic reticulum stress and pyroptosis activation.

关键词： ameliorating inflammation endoplasmic reticulum stress GPR120 GSDMD hemorrhagic stroke neurological function NLRP3 pyroptosis TUG-891 unfolded protein response

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复杂场景下害虫目标检测算法:YOLOv8-Extend

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智慧农业（中英文） 2024年第2期6卷 49-61页

作者：张荣华白雪樊江川京航创智(北京)科技有限公司北京102404 国家农业信息化工程技术研究中心北京100097 数字植物北京市重点实验室北京100097

[目的/意义]实现复杂的自然环境下农作物害虫的识别检测,改变当前农业生产过程中依赖于专家人工感官识别判定的现状,提升害虫检测效率和准确率具有重要意义。针对农作物害虫目标检测具有目标小、与农作物拟态、检测准确率低、算法推理... 详细信息

[目的/意义]实现复杂的自然环境下农作物害虫的识别检测,改变当前农业生产过程中依赖于专家人工感官识别判定的现状,提升害虫检测效率和准确率具有重要意义。针对农作物害虫目标检测具有目标小、与农作物拟态、检测准确率低、算法推理速度慢等问题,本研究提出一种基于改进YOLOv8的复杂场景下农作物害虫目标检测算法。[方法]首先通过引入GSConv提高模型的感受野,部分Conv更换为轻量化的幻影卷积(Ghost Convo⁃lution),采用HorBlock捕捉更长期的特征依赖关系,Concat更换为BiFPN(Bi-directional Feature Pyramid Network)更加丰富的特征融合,使用VoVGSCSP模块提升微小目标检测,同时引入CBAM(Convolutional Block Attention Module)注意力机制来强化田间虫害目标特征。然后使用Wise-IoU损失函数更多地关注普通质量样本,提高网络模型的泛化能力和整体性能。之后,对改进后的YOLOv8-Extend模型与YOLOv8原模型、YOLOv5、YOLOv8-GSCONV、YOLOv8-BiFPN、YOLOv8-CBAM进行对比,验证模型检测准确度和精度。最后将模型移植到边缘设备进行推理验证,在实际应用场景中验证模型的有效性。[结果和讨论]YOLOv8-Extend在对比实验中均取得良好的表现,其中与原模型对比实验中,精确率、召回率、mAP@0.5和mAP@0.5∶0.95评价指标分别提升2.6%、3.6%、2.4%和7.2%,表现突出,具有更好的检测效果。改进前后的模型分别运行在边缘计算设备JETSON ORIN NX 16 GB上并通过TensorRT加速相比,mAP@0.5提升4.6%,达到57.6 FPS,满足实时性检测要求。在复杂农业场景中YOLOv8-Extend模型具有更好的适应性,在实际采集数据中微小害虫与生长环境相似的害虫检测方面有明显优势,在困难数据检测方面准确率提高了11.9%。[结论]本研究提出的YOLOv8改进模型有效提高了检测精度和识别率同时保持了较高的运行效率,能够部署在边缘终端计算设备上实现农作物害虫的实时检测,也为其他小目标智能检测和模型结构优化提供参考和帮助。

关键词： YOLOv8 害虫检测注意力机制边缘计算 CBAM BiFPN VoVGSCSP GSConv

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GREPore-seq: A Robust Workflow to Detect Changes After Gene Editing Through Long-range PCR and Nanopore Sequencing

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Genomics, Proteomics & Bioinformatics 2023年第6期21卷 1221-1236页

作者： zi-Jun Quan Si-ang Li zhi-xue Yang Juan-Juan zhao Guo-Hua Li Feng z.ang Wei Wen Tao Cheng Xiao-Bing z.ang State Key Laboratory of Experimental Hematology National Clinical Research Center for Blood DiseasesHaihe Laboratory of Cell EcosystemInstitute of Hematology&Blood Diseases HospitalChinese Academy of Medical Sciences&Peking Union Medical CollegeTianjin 300020China Center for Stem Cell Medicine Chinese Academy of Medical SciencesTianjin 300020China Department of Stem Cell&Regenerative Medicine Peking Union Medical CollegeTianjin 300020China

To achieve the enormous potential of gene-editing technology in clinical therapies,one needs to evaluate both the on-target efficiency and unintended editing consequences ***,there is a lack of a pipelined,large-scale,and economical workflow for detecting genome editing outcomes,in particular insertion or deletion of a large ***,we describe an approach for efficient and accurate detection of multiple genetic changes after CRISPR/Cas9 editing by pooled nanopore sequencing of barcoded long-range PCR *** the high error rates of Oxford nanopore sequencing,we developed a novel pipeline to capture the barcoded sequences by grepping reads of nanopore amplicon sequencing(GREPore-seq).GREPore-seq can assess nonhomologous end-joining(NHEJ)-mediated double-stranded oligodeoxynucleotide(dsODN)insertions with comparable accuracy to Illumina next-generation sequencing(NGS).GREPore-seq also reveals a full spectrum of homology-directed repair(HDR)-mediated large gene knock-in,correlating well with the fluorescence-activated cell sorting(FACS)analysis *** note,we discovered low-level fragmented and full-length plasmid backbone insertion at the CRISPR cutting ***,we have established a practical workflow to evaluate various genetic changes,including quantifying insertions of short dsODNs,knock-ins of long pieces,plasmid insertions,and large fragment deletions after CRISPR/Cas9-mediated ***-seq is freely available at GitHub(https://***/lisiang/GREPore-seq)and the National Genomics Data Center(NGDC)BioCode(https://***/biocode/tools/BT007293).

关键词： CRISPR/Cas9 Genetic change Long-range PCR Nanopore sequencing GREPore-seq

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基于静态三点弯曲超高强钢硬化行为模型分析

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塑性工程学报 2024年第3期31卷 100-106页

作者：李倩倩孙雪丽吕宝占黄河交通学院汽车工程学院河南焦作454950

选取HC700/980DHD+z、 HC780/980CPD+z和HC700/980DPD+z进行分析,对比了3种材料力学性能和极限冷弯性能的差异;基于5种硬化模型对材料性能曲线进行拟合,选取两类拟合度较高的模型构建了组合硬化模型,并采用R5缺口拉伸试验进行了验证;基... 详细信息

选取HC700/980DHD+z、 HC780/980CPD+z和HC700/980DPD+z进行分析,对比了3种材料力学性能和极限冷弯性能的差异;基于5种硬化模型对材料性能曲线进行拟合,选取两类拟合度较高的模型构建了组合硬化模型,并采用R5缺口拉伸试验进行了验证;基于前防撞梁静态三点弯曲测试和仿真对标分析,对组合硬化模型进行验证,并对3种材料的承载性能进行对比分析。结果表明:HC700/980DHD+z和HC780/980CPD+z的极限冷弯角分别为109.8°和109.6°,优于HC700/980DPD+z;前纵梁静态三点弯曲试验测试与仿真分析中关键参数的最大误差在6%左右,表明材料本构模型的精度较高;HC780/980CPD+z的承载力峰值最大,达到15.1 k N;HC700/980DHD+z达到承载力峰值的位移最大,达到52 mm;屈强比对静态承载过程的峰值力产生重要影响,而断后伸长率的增加提升了材料的强塑积和塑性应变变形,使得承载力峰值的位移增大。

关键词：超高强钢极限冷弯硬化行为本构模型三点弯曲

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自我效能感与大学生网络成瘾:自我控制的中介作用

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中国临床心理学杂志 2024年第2期32卷 371-373页

作者：陈雪莲苏宇涵张钊湖北中医药大学医学人文学院武汉430065 湖北时珍实验室武汉430065 武汉理工大学心理健康教育中心武汉430070

目的:考察大学生的自我效能感与网络成瘾的关系,分析自我控制在二者之间的中介作用。方法:采用一般自我效能感量表、自我控制量表和网络成瘾量表对321名大学生进行调查。结果:大学生的自我效能感与网络成瘾呈负相关,网络成瘾和自我控制... 详细信息

目的:考察大学生的自我效能感与网络成瘾的关系,分析自我控制在二者之间的中介作用。方法:采用一般自我效能感量表、自我控制量表和网络成瘾量表对321名大学生进行调查。结果:大学生的自我效能感与网络成瘾呈负相关,网络成瘾和自我控制呈负相关,自我效能感与自我控制呈正相关。中介效应检验显示自我控制在自我效能感与网络成瘾之间起完全中介作用。结论:大学生的自我效能感能够负向预测网络成瘾程度。自我效能感通过提高自我控制水平进而降低大学生网络成瘾风险。

关键词：自我效能感自我控制网络成瘾

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