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Nano Research 2024年第4期17卷 2438-2443页

作者： Ran Li Taotao Gao wenxi qiu Minghao Xie Zhaoyu Jin Panpan Li College of Materials Science and Engineering Sichuan UniversityChengdu 610065China Institute for Advanced Study Chengdu UniversityChengdu 610106China Materials Science and Engineering Program and Walker Department of Mechanical Engineering The University of Texas at AustinAustinTexas 78712USA Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of ChinaChengdu 610054China

The electrocatalytic nitrate reduction reaction(NitRR)represents a promising approach toward achieving economically and environmentally sustainable ***,it remains a challenge to regulate the size effect of electrocatalysts to optimize the catalytic activity and ammonia ***,the Cu-based catalysts were tailored at the atomic level to exhibit a size gradient ranging from single-atom catalysts(SACs,0.15–0.35 nm)to single-cluster catalysts(SCCs,1.0–2.8 nm)and nanoparticles(NPs,20–30 nm),with the aim of studying the size effect for the NO_(3)^(-)-to-NH_(3) reduction ***,the Cu SCCs exhibit enhanced metal–substrate and metal–metal interactions by taking advantageous features of Cu SACs and Cu ***,Cu SCCs achieve exceptional electrocatalytic performance for the NitRR with a maximum Faradaic efficiency of ca.96%NH_(3)and the largest yield rate of ca.1.99 mg·h^(-1)·cm^(-2) at-0.5 V *** hydrogen electrode(RHE).The theoretical calculation further reveals the size effect and coordination environment on the high catalytic activity and selectivity for the *** work provides a promising various size-controlled design strategy for aerogel-based catalysts effectively applied in various electrocatalytic reactions.

关键词： nitrate electroreduction ammonia electrosynthesis size effect single-cluster catalyst

Natural medicine can substitute antibiotics in animal husbandry:protective effects and mechanisms of rosewood essential oil against Salmonella infection

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Chinese Journal of Natural Medicines 2024年第9期22卷 785-796页

作者： WANG Lanqiao FANG Juan WANG Heng ZHANG Baoyu WANG Nan YAO Xinyu LI He qiu Jiazhang DENG Xuming LENG Bingfeng WANG Jianfeng TAN wenxi ZHANG Qiaoling State Key Laboratory for Diagnosis and Treatment of Severe Zoonotic Infectious Diseases Key Laboratory for Zoonosis Research of the Ministry of EducationInstitute of Zoonosisand College of Veterinary MedicineJilin UniversityChangchun 130062China Shenzhen Beichen Biotech Co. Ltd.Shenzhen 518057China Department of Obstetrics and Gynecology The Second Hospital of Jilin UniversityChangchun 130041China

Aniba rosaeodora essential oil(RO) has been traditionally used in natural medicine as a substitute for antibiotics due to its notable antidepressant and antibacterial properties. Salmonella, a prevalent pathogen in foodborne illnesses, presents a major challenge to current antibiotic treatments. However, the antibacterial efficacy and mechanisms of action of RO against Salmonella spp. remain underexplored. This study aims to elucidate the chemical composition of RO, evaluate its antibacterial activity and mechanisms against Salmonella in vitro, and further delineate its anti-inflammatory mechanisms in vivo during Salmonella infection. Gas chromatography-mass spectrometry(GC-MS) was utilized to characterize the chemical constituents of RO. The antibacterial activity of RO was assessed using minimal inhibitory concentration(MIC) and time-kill assays. Various biochemical assays were employed to uncover the potential bactericidal mechanisms. Additionally, mouse and chick models of Salmonella infection were established to investigate the prophylactic effects of RO treatment. RO exhibited significant antibacterial activity against both Gram-positive and Gram-negative bacteria, with an MIC of 4 mg·mL^(-1) for Salmonella spp. RO treatment resulted in bacterial damage through the disruption of lipid and purine metabolism. Moreover, RO reduced injury and microbial colonization in infected mice and chicks. RO treatment also modulated the host inflammatory response by inhibiting proinflammatory pathways. In conclusion, our findings demonstrate that RO is effective against Salmonella infection, highlighting its potential as an alternative to antibiotics for antibacterial therapy.

关键词： Rosewood essential oil Salmonella Aniba rosaeodora Antibacterial effect Anti-inflammation Anti-infection

Groundwater contaminant source identification considering unknown boundary condition based on an automated machine learning surrogate

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Geoscience Frontiers 2024年第1期15卷 402-416页

作者： Yaning Xu wenxi Lu Zidong Pan Chengming Luo Yukun Bai Shuwei qiu Key Laboratory of Groundwater Resources and Environment Ministry of EducationJilin UniversityChangchun 130021China Jilin Provincial Key Laboratory of Water Resources and Environment Jilin UniversityChangchun 130021China College of New Energy and Environment Jilin UniversityChangchun 130021China School of Water Resources and Environment Hebei GEO UniversityShijiazhuang 050031China

Groundwater contamination source identification(GCSI)is a prerequisite for contamination risk evaluation and efficient groundwater contamination remediation *** boundary condition generally is set as known variables in previous GCSI ***,in many practical cases,the boundary condition is complicated and cannot be estimated accurately in *** the boundary condition as known variables may seriously deviate from the actual situation and lead to distorted identification *** the results of GCSI are affected by multiple factors,including contaminant source information,model parameters,boundary condition,***,if the boundary condition is not estimated accurately,other factors will also be estimated *** study focuses on the unknown boundary condition and proposed to identify three types of unknown variables(contaminant source information,model parameters and boundary condition)*** simulation-optimization(S-O)method is applied to GCSI,the huge computational load is usually reduced by building surrogate ***,when building surrogate models,the researchers need to select the models and optimize the hyperparameters to make the model powerful,which can be a lengthy *** automated machine learning(AutoML)method was used to build surrogate model,which automates the model selection and hyperparameter optimization in machine learning engineering,largely reducing human operations and saving *** accuracy of AutoML surrogate model is compared with the surrogate model used in eXtreme Gradient Boosting method(XGBoost),random forest method(RF),extra trees regressor method(ETR)and elasticnet method(EN)respectively,which are automatically selected in AutoML *** results show that the surrogate model constructed by AutoML method has the best accuracy compared with the other four *** study provides reliable and strong support for GCSI.

关键词： Groundwater contamination source Boundary condition Automated machine learning Surrogate model

一种新型MXene基热塑性聚氨酯的制备与阻燃性能分析

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福州大学学报（自然科学版） 2022年第2期50卷 278-285页

作者：施永乾叶涵刘川邱纹汐福州大学环境与安全工程学院福建福州350108

以植酸(PA)、吡咯、硝酸钴和碳化钛(Ti_(3)C_(2)T_(x),MXene)为主要原料,利用界面调控技术合成一种含P和Co元素的新型MXene基阻燃剂(CoPM),并通过熔融共混的方法制备热塑性聚氨酯(TPU)纳米复合材料.锥形量热测试结果表明,引入4.0%(质量... 详细信息

以植酸(PA)、吡咯、硝酸钴和碳化钛(Ti_(3)C_(2)T_(x),MXene)为主要原料,利用界面调控技术合成一种含P和Co元素的新型MXene基阻燃剂(CoPM),并通过熔融共混的方法制备热塑性聚氨酯(TPU)纳米复合材料.锥形量热测试结果表明,引入4.0%(质量分数)的CoPM后,TPU/CoPM-4.0纳米复合材料的热释放速率峰值、烟释放速率峰值、一氧化碳产生速率峰值和二氧化碳产生速率峰值较纯TPU分别下降41.4%、15.1%、29.4%和39.6%.TPU/CoPM纳米复合材料优异的阻燃和抑烟减毒性能归因于:在凝聚相中,Ti_(3)C_(2)T_(x)发挥物理阻隔效应和催化成炭作用,隔绝聚合物材料与火焰区的热量、气体交换,且燃烧产物Co_(3)O_(4)和TiO_(2)具有催化抑烟减毒作用;在气相中,PA热解产生含磷自由基捕获剂,从而中断链式燃烧反应.

关键词：碳化钛热塑性聚氨酯阻燃抑烟减毒复合材料

碳化钛/含镍杂化物对聚氨酯阻燃性能的影响研究

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安全与环境工程 2022年第2期29卷 23-31页

作者：邱纹汐施永乾刘川叶涵马苏宁福州大学环境与安全工程学院福建福州350116

采用聚合反应和自组装技术,以碳化钛(Ti_(3)C_(2)T_(x))、硝酸镍、植酸、吡咯等作为原料,合成植酸镍修饰的聚吡咯包裹的Ti_(3)C_(2)T_(x)纳米杂化阻燃剂(NiPM),并将其添加到热塑性聚氨酯弹性体(TPU)中制备了阻燃TPU的纳米复合材料即TPU/... 详细信息

采用聚合反应和自组装技术,以碳化钛(Ti_(3)C_(2)T_(x))、硝酸镍、植酸、吡咯等作为原料,合成植酸镍修饰的聚吡咯包裹的Ti_(3)C_(2)T_(x)纳米杂化阻燃剂(NiPM),并将其添加到热塑性聚氨酯弹性体(TPU)中制备了阻燃TPU的纳米复合材料即TPU/NiPM-2.0纳米复合材料,研究其对TPU阻燃和抑烟减毒性能的影响。结果表明:与纯TPU相比,TPU/NiPM-2.0纳米复合材料的热释放速率峰值、烟气生成速率峰值和总生烟量值分别下降了25.5%、24.7%和21.7%,CO和CO_(2)释放速率峰值分别降低了19.1%和16.36%;此外,TPU/NiPM-2.0纳米复合材料的炭渣呈现出最好的致密性和最高的石墨化程度。这些结果说明NiPM阻燃剂具有显著的阻燃和抑烟减毒作用:一方面,该镍基阻燃剂具有催化抑烟减毒作用,生成的含磷自由基(如PO·)进入气相捕捉H·和HO·,中断燃烧反应;另一方面,Ti_(3)C_(2)T_(x)的物理阻隔作用和部分氧化形成的二氧化钛的催化抑烟减毒作用进一步降低了热量传递和有毒烟气的产生。

关键词：含镍纳米阻燃剂热塑性聚氨酯弹性体(TPU) 碳化钛(Ti_(3)C_(2)T_(x)) 阻燃性能

Expert consensus on irrigation and intracanal medication in root canal therapy

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International Journal of Oral Science 2024年第1期16卷 26-35页

作者： Xiaoying Zou Xin Zheng Yuhong Liang Chengfei Zhang Bing Fan Jingping Liang Junqi Ling Zhuan Bian Qing Yu Benxiang Hou Zhi Chen Xi Wei Lihong qiu wenxia Chen wenxi He Xin Xu Liuyan Meng Chen Zhang Liming Chen Shuli Deng Yayan Lei Xiaoli Xie Xiaoyan Wang Jinhua Yu Jin Zhao Song Shen Xuedong Zhou Lin Yue Department of Cariology and Endodontology Peking University School and Hospital of Stomatology&National Center of Stomatology&National Clinical Research Center for Oral Diseases&National Engineering Laboratory for Digital and Material Technology of Stomatology&Beijing Key Laboratory of Digital Stomatology&Research Center of Engineering and Technology for Computerized Dentistry Ministry of Health&NMPA Key Laboratory for Dental MaterialsBeijingChina Center of Stomatology Peking University HospitalBeijingChina State Key Laboratory of Oral Diseases&National Center for Stomatology&National Clinical Research Center for Oral Diseases&West China Hospital of Stomatology Sichuan UniversityChengduChina Department of Emergency Peking University School and Hospital of Stomatology&National Center of Stomatology&National Clinical Research Center for Oral Diseases&National Engineering Laboratory for Digital and Material Technology of Stomatology&Beijing Key Laboratory of Digital Stomatology&Research Center of Engineering and Technology for Computerized Dentistry Ministry of Health&NMPA Key Laboratory for Dental MaterialsBeijingChina Restorative Dental Sciences EndodonticsFaculty of DentistryThe University of Hong KongPok Fu LamHong Kong SARChina State Key Laboratory of Oral&Maxillofacial Reconstruction and Regeneration Key Laboratory of Oral Biomedicine Ministry of EducationHubei Key Laboratory of StomatologySchool&Hospital of StomatologyWuhan UniversityWuhanChina Department of Endodontics Shanghai Ninth People’s HospitalShanghai Jiao Tong University School of MedicineCollege of StomatologyShanghai Jiao Tong UniversityNational Clinical Research Center for Oral DiseasesNational Center for StomatologyShanghai Key Laboratory of StomatologyShanghaiChina Department of Operative Dentistry and Endodontics Hospital of StomatologyGuanghua School of StomatologySun Yat-Sen University&Guangdong Provincial Key Laboratory of StomatologyGuangzhouChina State Key Laboratory of Oral&Maxillofacial Reconstruction and R

Chemical cleaning and disinfection are crucial steps for eliminating infection in root canal treatment. However, irrigant selection or irrigation procedures are far from clear. The vapor lock effect in the apical region has yet to be solved, impeding irrigation efficacy and resulting in residual infections and compromised treatment outcomes.

关键词： treatment irrigation Expert

核反应堆系统多维度多物理场耦合有限元分析研究

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原子能科学技术 2024年第2期58卷 257-271页

作者：巫英伟贺亚男章静田文喜苏光辉秋穗正西安交通大学核科学与技术学院陕西省先进核能技术重点实验室陕西西安710049

核反应堆系统庞杂且运行环境严苛,存在多物理场耦合的复杂现象。早期开发的多物理场耦合软件具有扩展性和通用性不足的缺点。因此,搭建多物理场耦合框架,针对耦合问题中的关键技术开展研究,对加快我国自主化多物理场耦合平台开发进程具... 详细信息

核反应堆系统庞杂且运行环境严苛,存在多物理场耦合的复杂现象。早期开发的多物理场耦合软件具有扩展性和通用性不足的缺点。因此,搭建多物理场耦合框架,针对耦合问题中的关键技术开展研究,对加快我国自主化多物理场耦合平台开发进程具有重要意义。本文介绍了西安交通大学核反应堆热工水力研究室开发的核反应堆多维度多物理场耦合有限元分析平台,主要包含热工流体计算模型的开发、燃料性能分析技术的研究以及多物理场耦合框架的建立等工作。在热工流体计算方面,开展了核反应堆系统两相流分析模型和液态金属快堆子通道分析模型研究,开发了系统分析程序NUSAC和子通道分析程序FLARE;在燃料性能分析技术方面,开展了包覆颗粒弥散燃料和板状燃料的性能分析研究,开发了针对多种燃料的燃料性能分析程序BEEs;在多物理场耦合分析方面,搭建了多物理场耦合框架,结合热工水力、中子物理和燃料性能分析程序,实现了核反应堆多物理场耦合的精细分析。本文搭建的核反应堆系统多维度多物理场耦合有限元分析平台可为核反应堆系统多维度多物理场耦合高保真数值模拟分析提供有力支持。

关键词：多物理场有限元系统分析子通道燃料性能

熔盐沿螺旋十字型单棒层流混合对流传热数值研究

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核动力工程 2024年第3期45卷 76-84页

作者：姜殿强张大林陈凯龙田文喜秋穗正苏光辉西安交通大学核科学与技术学院西安710049

西安交通大学提出的小型氟盐冷却高温堆(FuSTAR)概念设计采用了螺旋十字型燃料组件。为研究熔盐在螺旋十字型燃料组件的混合对流传热特性,建立了螺旋十字型单棒通道模型。采用计算流体力学(CFD)方法,以实验数据验证数值计算模型,94%壁... 详细信息

西安交通大学提出的小型氟盐冷却高温堆(FuSTAR)概念设计采用了螺旋十字型燃料组件。为研究熔盐在螺旋十字型燃料组件的混合对流传热特性,建立了螺旋十字型单棒通道模型。采用计算流体力学(CFD)方法,以实验数据验证数值计算模型,94%壁温数据点的数值计算值与实验测量值之差在±5℃的范围内,94%平均传热系数数据点的数值计算值与实验测量值相对误差范围是−15%~15%。熔盐沿螺旋十字型棒混合对流传热的结果表明,自然对流在整体混合对流传热的影响程度与入口温度、热流密度有关;Φ/Gz(Φ为自然对流无量纲数的组合变量,Gz为格雷兹数)能更合理地评估自然对流在整体对流传热中的影响程度。此外,拟合了在30≤Re≤500,6≤Pr≤26,600≤Gr≤42000(Re为雷诺数,Pr为普朗特数,Gr为格拉晓夫数)时熔盐沿螺旋十字型单棒的层流混合对流传热关系式。

关键词：氟盐冷却高温堆 FuSTAR 螺旋十字型燃料层流混合对流计算流体力学(CFD)

核反应堆两相流和严重事故关键现象粒子法模拟研究

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中国科学：技术科学 2024年第7期54卷 1318-1328页

作者：陈荣华田文喜郭凯伦张魁秋穗正苏光辉西安交通大学核科学与技术学院西安710049 陕西省先进核能技术重点实验室西安710049

针对核反应堆冷却剂两相流动沸腾和严重事故熔融物迁移行为等热工安全领域重要难点问题,开发了高精度移动粒子半隐式法求解技术,建立了大密度比相间复杂界面捕捉及汽液相变模拟的两相流粒子法模型,开发了核反应堆严重事故中堆芯降级行... 详细信息

针对核反应堆冷却剂两相流动沸腾和严重事故熔融物迁移行为等热工安全领域重要难点问题,开发了高精度移动粒子半隐式法求解技术,建立了大密度比相间复杂界面捕捉及汽液相变模拟的两相流粒子法模型,开发了核反应堆严重事故中堆芯降级行为的氧化共晶、高温蠕变、消熔凝固及再定位过程粒子法模型,形成了基于粒子法的核反应堆关键热工安全现象复杂过程分析软件平台PANDA,实现了核反应堆冷却剂两相流汽泡动力学、严重事故等复杂现象过程的准确模拟.

关键词：核反应堆汽泡动力学严重事故粒子法 PANDA平台

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多层各向异性包壳力学模型开发与应用

核动力工程 2024年第S01期45卷 110-116页

作者：张睿潇贺亚男巫英伟田文喜秋穗正苏光辉西安交通大学动力工程多相流国家重点实验室西安710049

由高致密度纯SiC和SiC纤维/基体复合材料(SiCf/SiC)组成的多层SiC复合包壳是当前事故容错燃料(ATF)包壳的热门选型,当前应用的典型燃料性能分析程序缺乏对于SiCf/SiC材料各向异性力学行为的建模能力,为提高燃料性能分析中复合SiC包壳力... 详细信息

由高致密度纯SiC和SiC纤维/基体复合材料(SiCf/SiC)组成的多层SiC复合包壳是当前事故容错燃料(ATF)包壳的热门选型,当前应用的典型燃料性能分析程序缺乏对于SiCf/SiC材料各向异性力学行为的建模能力,为提高燃料性能分析中复合SiC包壳力学计算的准确性,本文开发了一套适用于多层各向异性材料的力学模型,并将其集成到燃料性能分析程序FRAPCON4.0中,采用多层SiC包壳热力耦合算例对模型正确性进行了验证。实现了对具有正交各向异性力学特性和多轴类塑性行为的SiC复合包壳的力学计算功能,分析了双层SiC包壳燃料元件堆内稳态运行工况的性能。本研究建立的力学模型适用于任意多层圆柱结构燃料元件,并具备正交各向异性力学参数及行为的分析能力,可应用于多种新型燃料元件分析。

关键词： SiC包壳事故容错燃料(ATF) 芯块-包壳机械相互作用(PCMI) 各向异性材料