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基于机器学习的KRAS抑制剂活性预测模型研究

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中国药科大学学报 2024年第3期55卷 306-315页

作者：杜克荣丹琪卢瑞张小雅赵鸿萍中国药科大学理学院医药大数据与人工智能研究院南京211198

Kirsten大鼠肉瘤病毒癌基因同系物(Kirsten rat sarcoma viral oncogene homolog,KRAS)基因是最常见的突变癌基因之一,发现KRAS抑制剂对存在该基因突变的癌症患者具有潜在的治疗作用。本研究将机器学习应用于KRAS抑制剂的定量构效关系(q... 详细信息

Kirsten大鼠肉瘤病毒癌基因同系物(Kirsten rat sarcoma viral oncogene homolog,KRAS)基因是最常见的突变癌基因之一,发现KRAS抑制剂对存在该基因突变的癌症患者具有潜在的治疗作用。本研究将机器学习应用于KRAS抑制剂的定量构效关系(quantitative structure-activity relationship,QSAR)模型,从ChEMBL、BindingDB、PubChem 3个数据库中收集了1857条KRAS小分子抑制剂的IC50和SMILES(simplified molecular input line entry system),采用3种不同的特征筛选方式结合随机森林、支持向量机、极端梯度提升机3种机器学习模型,构建了9个不同的分类器。结果表明,SVM模型结合互信息筛选显示出最佳性能:AUC_(test)=0.912,ACC_(test)=0.859,F1_(test)=0.890,并且在外部验证集上也表现出良好的预测性能(AUC_(Ext)=0.944,Recall_(Ext)=0.856,FPR_(Ext)=0.111)。该研究为使用人工智能方法在天然产物数据库中进行KRAS抑制剂筛选提供了新的技术路线。

关键词： KRAS抑制剂互信息主成分分析随机森林支持向量机极端梯度提升机

2014—2021年江西省急性乙型病毒性肝炎流行特征分析

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预防医学 2024年第1期36卷 58-60页

作者：刘杰郭世成伍凤云赵红平江西省疾病预防控制中心免疫规划所江西南昌330029

目的了解2014—2021年江西省急性乙型病毒性肝炎(乙肝)流行特征,为完善乙肝防控策略提供依据。方法通过中国疾病预防控制信息系统收集2014—2021年江西省急性乙肝病例资料,采用描述性流行病学方法分析急性乙肝的时间、地区和人群分布特... 详细信息

目的了解2014—2021年江西省急性乙型病毒性肝炎(乙肝)流行特征,为完善乙肝防控策略提供依据。方法通过中国疾病预防控制信息系统收集2014—2021年江西省急性乙肝病例资料,采用描述性流行病学方法分析急性乙肝的时间、地区和人群分布特征,计算年度变化百分比(APC)分析急性乙肝发病趋势。结果2014—2021年江西省报告急性乙肝病例8890例,发病率呈下降趋势(APC=-11.730%,P<0.05),年均发病率为2.42/10万。全年均有急性乙肝发病,无明显季节高峰。萍乡市、赣州市和抚州市发病率居前三位,分别为7.12/10万、3.12/10万和2.87/10万。急性乙肝发病率0~<10岁组最低,为0.30/10万;20~<30岁组最高,为3.86/10万。男性急性乙肝发病率为3.25/10万,高于女性的1.55/10万(P<0.05);职业以农民为主,5764例占64.84%。结论2014—2021年江西省居民急性乙肝发病率呈下降趋势;青壮年男性、农民为主要发病人群,应加强健康教育和提高乙肝疫苗接种率。

关键词：急性乙型病毒性肝炎发病率流行特征

Prognosis and outcome of intrauterine treatment of fetuses with critical congenital heart disease

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Chinese Medical Journal 2024年第12期137卷 1431-1436页

作者： Liqing zhao Lei Wang hongping Xia Yurong Wu Xianting Jiao Hong Zhu Sun Chen Kun Sun Department of Pediatric Cardiology Xinhua Hospital Affiliated to Shanghai Jiao Tong University School of MedicineShanghai 200092China Department of Diagnosis and Treatment Center for in utero Pediatric Disease Xinhua Hospital Affiliated to Shanghai Jiao Tong University School of MedicineShanghai 200092China Department of Neonatology Xinhua Hospital Affiliated to Shanghai Jiao Tong University School of MedicineShanghai 200092China

Background:Intrauterine valvuloplasty is an innovative therapy,which promotes ventricular growth and function in some congenital heart diseases(CHDs).The technique remains challenging and can only be performed in a few *** study aimed to assess the feasibility and mid-term outcomes of fetal cardiac intervention(FCI)in fetuses with critical CHD in an experienced tertiary ***:Five fetal aortic valvuloplasty(FAV)or fetal pulmonary valvuloplasty(FPV)procedures were performed in our fetal heart center between August 2018 and May *** success was defined as crossing the aortic or pulmonary valve and balloon inflation,followed by evidence of increased blood flow across the valve and/or new ***-up clinical records and echocardiography were obtained during the prenatal and postnatal ***:Five fetuses received FAV or FPV,including critical aortic stenosis(n=2)and pulmonary atresia with intact ventricular septum(n=3).The mean maternal age was 33.0±2.6 *** median gestational age(GA)at diagnosis was 24 weeks(range,22-26 weeks).The median GA at intervention was 29 weeks(range,28-32 weeks).All five cases underwent successful or partially successful *** patient had pulmonary valve perforation without balloon *** procedure-related deaths or significant complications ***,one neonatal death occurred due to heart and renal *** median follow-up period was 29.5 months(range,8.0-48.0 months).The four surviving patients had achieved biventricular circulation,exhibited improved valve,and ventricular development at the last follow-up ***:Intrauterine FCI could be performed safely with good prognosis in critical CHD.

关键词： Fetal cardiac intervention Valvuloplasty Pulmonary atresia Critical aortic stenosis Congenital heart disease

Synergistic Effects of Chiral Morphology and Reconfiguration in Cattail Leaves

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Journal of Bionic Engineering 2015年第4期12卷 634-642页

作者： Zilong zhao Weixi Huang Bingwei Li Kexing Chen Kuifu Chen hongping zhao Xiqiao Feng AML Department of Engineering Mechanics Tsinghua University Beijing 100084 China Center for Nano and Micro Mechanics Tsinghua University Beijing 100084 China College of Sciences China Agricultural University Beo'ing 100083 China

Cattail, a type of herbaceous emergent aquatic macrophyte, has upright-standing leaves with a large slenderness ratio and a ehiral morphology. With the aim of understanding the effect of chiral morphology on their mechanical behavior, we investi- gated, both experimentally and theoretically, the twisting chiral morphologies and wind-adaptive reconfigurations of cattail leaves. Their multiscale structures were observed by using optical microscope and scanning electron microscopy. Their me- chanical properties were measured by uniaxial tension and three-point bending tests. By modeling a chiral leaf as a pre-twisted cantilever-free beam, fluid dynamics simulations were performed to elucidate the synergistic effects of the leaf＇s chiral mor- phology and reconfiguration in wind. It was observed that the leaves have evolved multiscale structures and superior mechanical properties, both of which feature functionally gradient variations in the height direction, to improve their ability to resist lodging failure by reducing the maximal stress. The synergistic effect ofchiral morphology and reconfiguration can greatly improve the survivability of cattail plants in wind.

关键词： cattail chiral morphology reconfiguration fluid-structure interaction lodging resistance

Numerical study of three-dimensional wave-induced longshore current's effects on sediment spreading of the Huanghe River mouth

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Acta Oceanologica Sinica 2012年第2期31卷 129-138页

作者： LIANG Bingchen zhao hongping LI Huajun WU Guoxiang Key Laboratory of Shandong Province for Ocean Engineering Ocean University of ChinaQingdao 266100China Engineering College Ocean University of ChinaQingdao 266100China

A three-dimensional wave radiation stress is introduced into the hydrodynamic sediment coupled model COHERENS-SED, which has been developed through introducing wave-enhanced bottom shear stress, wave dependent surface drag coefficient, wave-induced surface mixing, SWAN, damping function of sediment on turbulence, sediment model and depth-dependent wave radiation stress to COHERENS. The COHERENS-SED is adopted to study the effects induced by wave-induced three-dimensional longshore current on suspended sediment spreading of the Huanghe River （Yellow River） mouth. Several different cases divided by setting different wave parameters of inputting boundary waves are carried out. The modeling results agree with measurement data. In terms of simulation results, it is easy to know that three-dimensional wave radiation stress plays an obvious role when inputting boundary wave height is stronger than 3 m. Moreover, wave direction also affects the sediment spreading rules of the mouth strongly too.

关键词： Huanghe River mouth three-dimensional wave radiation stress COHERENS COHERENS-SED sediment spreading

跨越理论与实践的鸿沟——论迈向实践范式的教育社会学

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华东理工大学学报（社会科学版） 2023年第2期38卷 53-70页

作者：赵洪萍惠州学院教育科学学院广东惠州516007 台湾师范大学教育学院中国台湾台北106

教育社会学经历了从实证主义范式到诠释/现象学范式、批判/解放范式等多元范式的发展过程。不同时期,不同的研究范式在竞争关系中共存。实践范式的出现为教育社会学理论与实践整合创造了条件。实践范式是朝向社会实践的研究范式,是从研... 详细信息

教育社会学经历了从实证主义范式到诠释/现象学范式、批判/解放范式等多元范式的发展过程。不同时期,不同的研究范式在竞争关系中共存。实践范式的出现为教育社会学理论与实践整合创造了条件。实践范式是朝向社会实践的研究范式,是从研究探究一步步“落地深耕”到实践的一系列承诺。实践范式的教育社会学秉持“教育实践”的核心立场,通过研究(者)与实践(者)关系的变革,激发实践智慧,实现教育社会学理论与实践的整合。同时,实践范式因其对本土化实践研究的凸显,故而对研究教育社会学本土化路径的实践转向具有重要意义。

关键词：教育社会学实践范式理论实践

Licorice-saponin A3 is a broad-spectrum inhibitor for COVID-19 by targeting viral spike and anti-inflammation

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Journal of Pharmaceutical Analysis 2024年第1期14卷 115-127页

作者： Yang Yi Wenzhe Li Kefang Liu Heng Xue Rong Yu Meng Zhang Yang-Oujie Bao Xinyuan Lai Jingjing Fan Yuxi Huang Jing Wang Xiaomeng Shi Junhua Li hongping Wei Kuanhui Xiang Linjie Li Rong Zhang Xin zhao Xue Qiao Hang Yang Min Ye State Key Laboratory of Natural and Biomimetic Drugs School of Pharmaceutical SciencesPeking UniversityBeijing100191China Yunnan Baiyao International Medical Research Center Peking UniversityBeijing100191China CAS Key Laboratory of Pathogen Microbiology and Immunology Institute of MicrobiologyChinese Academy of SciencesBeijing100101China CAS Key Laboratory of Special Pathogens and Biosafety Center for Biosafety Mega-ScienceWuhan Institute of VirologyChinese Academy of SciencesWuhan430071China University of Chinese Academy of Sciences Beijing100049China Department of Microbiology and Infectious Disease Center School of Basic Medical SciencesPeking University Health Science CenterPeking UniversityBeijing100191China Hubei Jiangxia Laboratory Wuhan430000China Shenzhen Children's Hospital ShenzhenGuangdong518036China

Currently,human health due to corona virus disease 2019(COVID-19)pandemic has been seriously *** coronavirus severe acute respiratory syndrome coronavirus 2(SARS-CoV-2)spike(S)protein plays a crucial role in virus transmission and several S-based therapeutic approaches have been approved for the treatment of ***,the efficacy is compromised by the SARS-CoV-2 evolvement and *** we report the SARS-CoV-2 S protein receptor-binding domain(RBD)inhibitor licorice-saponin A3(A3)could widely inhibit RBD of SARS-CoV-2 variants,including Beta,Delta,and Omicron BA.1,XBB and ***,A3 could potently inhibit SARS-CoV-2 Omicron virus in Vero E6 cells,with EC50 of 1.016μ*** mechanism was related to binding with Y453 of RBD determined by hydrogen-deuterium exchange mass spectrometry(HDX-MS)analysis combined with quantum mechanics/molecular mechanics(QM/MM)***,phosphoproteomics analysis and multi fluorescent immunohistochemistry(mIHC)respectively indicated that A3 also inhibits host inflammation by directly modulating the JNK and p38 mitogen-activated protein kinase(MAPK)pathways and rebalancing the corresponding immune *** work supports A3 as a promising broad-spectrum small molecule drug candidate for COVID-19.

关键词： COVID-19 Inflammation Licorice-saponin A3 Receptor-binding domain(RBD) SARS-CoV-2

毛则渠矿大孔径钻孔瓦斯抽采技术研究及其应用

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山西冶金 2023年第3期46卷 186-187,198页

作者：赵红平山西乡宁焦煤集团毛则渠煤炭有限公司山西临汾041000

毛则渠矿为解决209工作面回采阶段采空区瓦斯涌出和上隅角瓦斯集聚的难题,设计采用大孔径长钻孔对采空区瓦斯进行抽采技术。结合209工作面实际地质条件以及矿井现有瓦斯治理设备、抽采管理布置等,提出在采面2093巷间隔20 m施工孔径450 m... 详细信息

毛则渠矿为解决209工作面回采阶段采空区瓦斯涌出和上隅角瓦斯集聚的难题,设计采用大孔径长钻孔对采空区瓦斯进行抽采技术。结合209工作面实际地质条件以及矿井现有瓦斯治理设备、抽采管理布置等,提出在采面2093巷间隔20 m施工孔径450 mm钻孔,并在滞后采面25 m区域内采空区涌出瓦斯进行拦截;根据采面实际情况对大孔径钻孔布置以及抽采方案进行设计。实践效果良好,经抽采后上隅角瓦斯质量浓度控制在0.5%范围以内,同时取消了高位瓦斯抽采钻孔以及采空区埋管等瓦斯抽采措施,现场取得较好应用成果。

关键词：大孔径钻孔大流量瓦斯抽采保护层开采瓦斯治理

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新时期中职烹饪教学的改革与创新

天津职业院校联合学报 2022年第9期24卷 75-78页

作者：赵红萍天津市东丽区职业教育中心学校天津300300

职业教育搭上了时代的快车,蓬勃发展。作为一名中餐烹饪教师在职业教育蓬勃发展的今天,如何践行新形势下教学改革显得尤为重要.本文以天津市东丽区职业教育中心学校烹饪专业为例,从建立现代学徒制、完成课程置换,提高专业教师业务水平... 详细信息

职业教育搭上了时代的快车,蓬勃发展。作为一名中餐烹饪教师在职业教育蓬勃发展的今天,如何践行新形势下教学改革显得尤为重要.本文以天津市东丽区职业教育中心学校烹饪专业为例,从建立现代学徒制、完成课程置换,提高专业教师业务水平、实施教学资源共享,提高教师教学质量、提升学生的学习兴趣,服务“一带一路”倡议、共创国际化人才培养模式,积极制定1+X证书制度试点工作方案、调整人才培养模式等五个方面论述中等职业学校如何践行中餐烹饪教学的发展与创新。

关键词：烹饪教学改革发展