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Path signature-based XAI-enabled network time series classification

Science China(Information Sciences) 2024年第7期67卷 91-106页

作者： Le SUN Yueyuan WANg Yongjun ren Feng xia Department of Jiangsu Collaborative Innovation Center of Atmospheric Environment and Equipment Technology(CICAEET) Nanjing University of Information Science and Technology School of Computing Technologies Royal Melbourne Institute of Technology

Classifying network time series(NTS) is crucial for automating network administration and ensuring cyberspace security. It enables the detection of anomalies, the identification of network atta.ks,and the monitoring of performance issues, thereby providing valuable support for network protection and optimization. However, modern communication networks pose challenges for NTS classification *** include handling large-scale and complex NTS data. extracting features from intricate data.ets, and addressing explainability requirements. These challenges are particularly pronounced for complex 5g networks. Nota.ly, explainability has become crucial for the widespread deployment of network automation for 5g networks and beyond. To ta.kle these challenges, we propose a path-signature-based NTS classification model called recurrent signature(Recur Sig). This innovative model is designed to overcome the time-consuming feature selection problem by utilizing deep-learning(DL) techniques. Additionally, it provides a solution for addressing the black-box issue associated with DL models in network automation systems(NAS) by incorporating an explainable classification approach. Extensive experimenta.ion on various public data.ets demonstrates that Recur Sig outperforms existing models in accuracy and explainability. The results indicate its potential for application in cyberspace security and automated network management, offering an explainable solution for network protection and optimization.

关键词： network time series classification explainable artificial intelligence path signature automated network management recurrent neural network

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Washed microbiota.transplanta.ion for Crohn’s disease:A meta.enomic,meta.ranscriptomic,and meta.olomic-based study

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World Journal of gastroenterology 2024年第11期30卷 1572-1587页

作者： Shi-Ju Chen Da-Ya Zhang xia Wu Fa-Ming Zhang Bo-ta.Cui Yi-Hao Huang Zu-Lun Zhang Rui Wang Fei-Hu Bai graduate School Hainan Medical UniversityHaikou 571199Hainan ProvinceChina Department of Microbiota.Medicine&Medical Center for Digestive Diseases The Second Affiliated Hospital of Nanjing Medical UniversityNanjing 210011Jiangsu ProvinceChina Department of gastroenterology The Second Affiliated Hospital of Hainan Medical UniversityHaikou 570216Hainan ProvinceChina

BACKgROUND Fecal microbiota.transplanta.ion(FMT)is a promising therapeutic approach for treating Crohn’s disease(CD).The new method of FMT,based on the automatic washing process,was named as washed microbiota.transplanta.ion(WMT).Most existing studies have focused on observing the clinical ***,the mechanism of action of FMT for the effective management of CD-particularly in-depth multi-omics analysis involving the meta.enome,meta.ranscriptome,and meta.olome-has not yet been *** To assess the efficacy of WMT for CD and explore alterations in the microbiome and meta.olome in response to *** We conducted a prospective,open-label,single-center clinical *** CD patients underwent *** clinical responses(defined as a decrease in their CD Activity Index score of>100 points)and their microbiome(meta.enome,meta.ranscriptome)and meta.olome profiles were evaluated three months after the *** Seven of the 11 patients(63.6%)showed an optimal clinical response three months *** microbiome diversity significantly increased after WMT,consistent with improved clinical *** of the meta.enome and meta.ranscriptome analyses revealed consistent alterations in certa.n strains,such as Faecalibac-terium prausnitzii,Roseburia intestinalis,and Escherichia *** addition,meta.olomics analyses demonstrated that CD patients had elevated levels of various amino acids before treatment compared to the ***,levels of vita. amino acids that may be associated with disease progression(e.g.,L-gluta.ic acid,gamma-gluta.yl-leucine,and prolyl-gluta.ine)were reduced after *** WMT demonstrated therapeutic efficacy in CD treatment,likely due to the effective reconstruction of the patient’s ***-omics techniques can effectively help decipher the potential mechanisms of WMT in treating CD.

关键词： Crohn’s disease Clinical trials Fecal microbiota.transplant Meta.enome Meta.ranscriptome Meta.olome

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In silico off-ta.get profiling for enhanced drug safety assessment

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Acta.Pharmaceutica Sinica B 2024年第7期14卷 2927-2941页

作者： Jin Liu Yike gui Jingxin Rao Jingjing Sun gang Wang Qun ren Ning Qu Buying Niu Zhiyi Chene xia Sheng Yitian Wang Mingyue Zheng Xutong Li College of Pharmaceutical Sciences Zhejiang UniversityHangzhou 310058China Drug Discovery and Design Center State Key Laboratory of Drug ResearchShanghai Institute of Materia Medica Chinese Academy of SciencesShanghai 201203China University of Chinese Academy of Sciences Beijing 100049China Nanjing University of Chinese Medicine Nanjing 210023China School of Pharmaceutical Science and Technology Hangzhou Institute for Advanced StudyHangzhou 330106China

Ensuring drug safety in the early sta.es of drug development is crucial to avoid costly failures in subsequent ***,the economic burden associated with detecting drug off-ta.gets and potential side effects through in vitro safety screening and animal testing is *** off-ta.get interactions,along with the adverse drug reactions they induce,are significant factors affecting drug *** assess the liability of candidate drugs,we developed an artificial intelligence model for the precise prediction of compound off-ta.get interactions,leveraging multi-ta.k graph neural *** outcomes of off-ta.get predictions can serve as representa.ions for compounds,enabling the differentiation of drugs under various ATC codes and the classification of compound ***,the predicted off-ta.get profiles are employed in adverse drug reaction(ADR)enrichment analysis,facilita.ing the inference of potential ADRs for a *** the withdrawn drug Pergolide as an example,we elucidate the mechanisms underlying ADRs at the ta.get level,contributing to the exploration of the potential clinical relevance of newly predicted off-ta.get ***,our work facilita.es the early assessment of compound safety/toxicity based on off-ta.get identification,deduces potential ADRs of drugs,and ultimately promotes the secure development of drugs.

关键词： Drug safety Off-ta.get prediction Adverse drug reactions Toxicity Molecular representa.ion Artificial intelligence

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Single Ti atoms coupled with Ti-O clusters enable low temperature hydrogen cycling by sodium alanate

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Rare Meta.s 2024年第6期43卷 2671-2681页

作者： Zhuang-He ren Xin Zhang Wen-Xuan Zhang Zhen-guo Huang Li-Mei Yang Ya-Xiong Yang Zheng-Long Li Juan Li Wen-Ping Sun Ming-xia.gao Hong-ge Pan Yong-Feng Liu Sta.e Key Laboratory of Silicon and Advanced Semiconductor Materials Zhejiang UniversityHangzhou 310027China School of Materials Science and Engineering Zhejiang UniversityHangzhou 310058China School of Civil&Environmenta. Engineering.University of Technology Sydney Sydney2007 NSWAustralia Institute of Science and Technology for New Energy Xi'an Technological UniversityXi'an 710021China College of Materials Science and Engineering Zhejiang University of TechnologyHangzhou 310014China

Ti-based cata.ysts are known to improve the hydrogen storage performance of NaAlH4by facilita.ing the dissociation/recombination of H-H and Al-H *** cata.ytic activity of meta.lic Ti species strongly depends on its particle size and *** clusters and even single atoms are therefore highly desirable,but their controllable fabrication has been highly *** rein,we demonstrate a novel facile sonochemical synthesis of a Ti-O clusters featuring single Ti atom cata.yst at room *** reducing TiCl_(4)by MgBu_(2)with ultrasound instead of heating as driving force,numerous single Ti atoms coupled with Ti-O clusters with Ti loading on graphene(Ti_(1)/Ti-O@g)up to 22.6 wt%have been successfully *** prepared Ti_(1)/Ti-O@g contributes high reactivity and superior cata.ytic activity,therefore enabling full dehydrogenation of NaAlH_(4)at 80℃in thermogravimetric mode and re-hydrogenation at 30℃and 10 MPa with 4.9 wt% H_(2).This fact indicates for the first time that single Ti atom cata.yst with high loading is highly effective in cata.yzing hydrogen cycling of NaAlH4at remarkably reduced temperatures.

关键词： Hydrogen storage Nanocata.ysis Transition meta.s Single Ti atoms NaAlH_(4)

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Preparation and characterization of pH-responsive meta.-polyphenol structure coated nanoparticles

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Food Science and Human Wellness 2024年第3期13卷 1303-1310页

作者： Qile xia Yan Liang Ailing Cao Yan Cao Luyun Cai Key Laboratory of Post-Harvest Handling of Fruits Food Science InstituteZhejiang Academy of Agricultural SciencesHangzhou 310021China Ningbo Research Institute College of Biosystems Engineering and Food ScienceZhejiang UniversityNingbo 315100China School of Biological and Chemical Engineering Zhejiang Engineering Research Center for Intelligent Marine Ranch EquipmentNingboTech UniversityNingbo 315100China College of Food Science and Engineering Bohai UniversityJinzhou 121013China Hangzhou Customs District Hangzhou 310007China

In this paper,ta.nic acid(ta.and Fe~(3+)were added to form a layer of meta.-polyphenol network structure on the surface of the nanoparticles which were fabricated by zein and carbon quantum dots(CQDs)encapsulating phlorota.nins(PTN).pH-Responsive nanoparticles were prepared successfully(zein-PTN-CQDs-Fe-~Ⅲ).Further,the formation of composite nanoparticles was confirmed by a series of characterization *** zeta.potential and Fourier transform infrared spectroscopy data.proved that electrosta.ic interaction and hydrogen bonding are dominant forces to form *** encapsulation efficiency(EE)revealed that meta.-polyphenol network structure could improve the EE of *** analysis and differential scanning calorimetry experiment indicated the thermal sta.ility of zein-PTN-CQDs-Fe~Ⅲnanoparticles increased because of meta.-polyphenol network *** pH-responsive nanoparticles greatly increased the release rate of active substa.ces and achieved ta.geted release.

关键词： Meta. Phlorota.nins Nanoparticles pH-Responsive Characterization

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第一性原理计算研究γ'-Co3(V,M)(M=Ti,ta.相的结构稳定性、力学和热力学性质

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物理学报 2024年第8期73卷 261-272页

作者：袁文翎姚碧霞李喜胡顺波任伟上海大学材料基因组工程研究院上海200444 上海大学高品质特殊钢冶金与制备国家实验室上海200444 上海交通大学上海市先进高温材料及精密成形重点实验室上海200240 上海大学文化遗产保护基础科学研究院上海200444 上海大学物理系量子与分子结构国际中心上海200444

本文采用基于密度泛函理论的第一性原理计算方法并结合准谐德拜模型,对Co基高温合金中γ'-Co_(3)(V,M)(M=Ti,ta.相的结构稳定性、热力学性质以及有限温度下的力学性质进行了系统的研究和讨论.结果表明,γ'-Co_(3)(V,M)相能以L12结构稳... 详细信息

本文采用基于密度泛函理论的第一性原理计算方法并结合准谐德拜模型,对Co基高温合金中γ'-Co_(3)(V,M)(M=Ti,ta.相的结构稳定性、热力学性质以及有限温度下的力学性质进行了系统的研究和讨论.结果表明,γ'-Co_(3)(V,M)相能以L12结构稳定存在,其具有良好的抵抗变形的能力.γ'-Co_(3)(V,Ti)相的热力学性能对温度的敏感性要大于γ'-Co_(3)(V,ta.相,且γ'-Co_(3)(V,M)相具有高温稳定性.在有限温度下,随着温度的升高,γ'-Co_(3)(V,M)相由塑性材料向脆性材料过渡转变,而且,除了硬度性能有所提升外,γ'-Co_(3)(V,MM=Ti,ta.相的力学性能均呈下降趋势.

关键词：高温合金第一性原理结构稳定性热力学性质

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缺氧生物膜转型厌氧氨氧化生物膜培养与富集特性

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中国环境科学 2024年第1期44卷 114-120页

作者：蒋睿李韧于莉芳刘然刘甜张日霞西安建筑科技大学环境与市政工程学院陕西西安710055 西北水资源与环境生态教育部重点实验室陕西西安710055 西安市政设计研究院有限公司陕西西安710068

接种西安市某污水处理厂缺氧池生物膜构建升流式厌氧固定床生物膜(UAFB)反应器从而富集培养厌氧氨氧化(Anammox)生物膜,通过测定生物膜Anammox活性和酶活性并进行高通量测序分析,探讨城市污水处理厂现有填料转型培养Anammox生物膜的可... 详细信息

接种西安市某污水处理厂缺氧池生物膜构建升流式厌氧固定床生物膜(UAFB)反应器从而富集培养厌氧氨氧化(Anammox)生物膜,通过测定生物膜Anammox活性和酶活性并进行高通量测序分析,探讨城市污水处理厂现有填料转型培养Anammox生物膜的可行性及生物膜内菌群演替规律.结果表明,经29d培养后的UAFB-Anammox反应器TN去除率高达76.22%,快速启动成功;负荷提升阶段,表面氮负荷(SNLR)由0.23g/(m^(2)·d)提升至2.59g/(m^(2)·d),最大Anammox活性维持2.15g/(m^(2)·d),TN去除率高达83.68%.Illumina MiSeq测序结果发现,富集后的生物膜中优势菌属为***,相对丰度为33.38%,富集效果明显.同时缺氧生物膜上反硝化菌Denitratisoma以Anammox的产物NO_(3)^(-)-N为基质,逐渐与AnAOB形成共生存关系.这说明利用城市污水处理厂现有缺氧生物膜可以快速培养Anammox生物膜,对Anammox工艺在城市污水处理厂升级改造中的应用提供一定参考.

关键词：缺氧生物膜厌氧氨氧化转型培养肼氧化酶菌群演替

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Efficient photocata.ytic degradation of sta.in via optimization on ZnIn_(2)S_(4)/Bi_(2)WO_(6) Z-scheme heterostructure

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Journal of Advanced Dielectrics 2024年第4期14卷 104-114页

作者： Tingting Liu Libing Cao Mengge Yan Yushan Hu Tianlong ren Zheng Wu School of Environmenta. and Chemical Engineering Xi’an Key Laboratory of Textile Chemical Engineering Auxiliaries Engineering Research Center of Biological Resources Development and Pollution Control Universities of Shaanxi Province Key Laboratory of Textile Dyeing Wastewater Treatment Universities of Shaanxi Province Xi’an Polytechnic University No.19Jin Hua RoadXi’an710048P.R.China Key Laboratory of Northwest Water Resource Environment and Ecology MOE Xi’an University of Architecture and Technology No.13Yan Ta RoadXi’an710055P.R.China Northwest Branch of Beijing CCI Architectural Design Co. Ltd No.26Gao Xin RoadXi’an 710065P.R.China Xi’an Capita. Water Company Limited No.368 Kun Ming RoadXi’an 710086P.R.China

Sta.ins are widely used in the treatment of hyperlipidemia disease,which are refractory in the municipal sewage treatment *** photocata.ytic degradation of sta.ins by the Z-scheme heterostructured photocata.yst is confirmed,but the degradation mechanism of sta.ins needs to be further *** this study,the effects of photocata.yst dosage,solution pH and humic acid(HA)on the photocata.ysis of fluvasta.in by ZnIn_(2)S_(4)/Bi_(2)WO_(6) Z-scheme heterostructured photocata.yst(ZIS/BWO photocata.yst)were investigated and the degradation mechanism was *** showed that adsorption of fluvasta.in was improved with the increase of photocata.yst dosage,but photoinduced desorption and light scattering resulted in the decrease of the removal of fluvasta.in with high dosage.0.2 g/L of the ZIS/BWO photocata.yst was optimal dosage.65.21%of fluvasta.in was removed at pH=9,because high concentration of OH^(-)was conducive to produce·*** change of pH,competition of photons and active sites,and trapping of reactive oxygen species(ROS)by carboxyl group of HA combined to inhibit the photocata.ysis of fluvasta.in in the presence of *** C–C,C=C and C–N bonds of fluvasta.in were atta.ked by a variety of ROS to generate degradable intermediates that were easily mineralized to H_(2)O and CO_(2).

关键词： Fluvasta.in photocata.ytic technology Z-scheme heterostructured photocata.yst reaction condition degradation mechanism

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1例先天性糖基化障碍Id型的产前超声表现

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复旦学报（医学版） 2024年第5期51卷 864-867页

作者：朱晨雷彩霞任芸芸复旦大学附属妇产科医院超声科上海200011 复旦大学附属妇产科医院产前诊断中心上海200011 上海集爱遗传与不育诊疗中心上海200011

先天性糖基化障碍Id型(congenita. disorder of glycosylation type Id,CDg-Id)是由于ALg3基因变异,导致编码的α-1,3-甘露糖基转移酶缺陷。本例孕妇32岁,孕7产1,其中第5次单胎妊娠时外院超声提示胎儿畸形,引产后至复旦大学附属妇产科... 详细信息

先天性糖基化障碍Id型(congenita. disorder of glycosylation type Id,CDg-Id)是由于ALg3基因变异,导致编码的α-1,3-甘露糖基转移酶缺陷。本例孕妇32岁,孕7产1,其中第5次单胎妊娠时外院超声提示胎儿畸形,引产后至复旦大学附属妇产科医院行基因检测提示为ALg3基因变异[NM_005787:c.67C>T(***23*),杂合,父源;NM_005787:c.1188g>A(***396*),杂合,母源]。本次单胎妊娠21周,我院产前超声表现为胎儿多发畸形,以小下颌、小脑蚓部缺失、后颅窝囊性占位、四肢长骨均短小、脊柱侧弯和手关节僵硬为主要表现。孕妇遂至外院引产,引产后基因检测结果证实仍为ALg3基因变异。本文重点介绍CDg-Id型的产前超声表现及遗传学特征,以提高对本病的认识。

关键词：先天性糖基化障碍Id型(CDg-Id) ALg3基因变异产前超声小下颌小脑蚓部缺失

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基于内置光纤/导光管反应器的微藻固碳减排研究

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煤炭科学技术 2024年第2期52卷 329-337页

作者：夏奡任柯欣张敬苗黄云朱贤青朱恂廖强重庆大学低品位能源利用技术及系统教育部重点实验室重庆400044 重庆大学工程热物理研究所重庆400044

我国燃煤电厂每年排放CO_(2)超过57亿t,为保障双碳目标如期实现,必须大幅降低燃煤电厂的CO_(2)排放。微藻固碳通过高效的光合作用吸收CO_(2)转化为生物质,是极具潜力的燃煤电厂减碳技术,但目前微藻固碳性能严重受限于反应器内光传输。... 详细信息

我国燃煤电厂每年排放CO_(2)超过57亿t,为保障双碳目标如期实现,必须大幅降低燃煤电厂的CO_(2)排放。微藻固碳通过高效的光合作用吸收CO_(2)转化为生物质,是极具潜力的燃煤电厂减碳技术,但目前微藻固碳性能严重受限于反应器内光传输。导光管可灵活调节反应器内光分布,而光纤可集中传输光线且光损耗低,因此提出光纤/导光管微藻光生物反应器,扩大藻液受光面积,增加藻细胞色素的光捕集,促进微藻光合固碳。利用光学仿真软件对光纤/导光管内传输的光线进行追踪,获得了光纤/导光管管壁的光强分布。在不同反应器、输入光能条件下进行微藻培养实验,获得了微藻生物量、固碳速率与叶绿素含量的变化趋势,分析了内置光纤/导光管对微藻固碳的影响规律。结果表明:平面末端的光纤射出光的光强在导光管侧30~140 mm内迅速下降,导光管发光范围集中。在导光管底部添加锥形反光件反射抵达管底的透射光、并设计阶梯型光纤使输入光由不同阶梯分级发出,可使微藻光生物反应器内光分布更加均匀,反应器内部远离光源区域的藻细胞可以有效接受光能进行光合固碳。当光能输入为3.3 W/L时,含两级阶梯结构光纤和锥形反光件的导光管管侧表面最低光强为47μmol/(m^(2)·s),平均光强达64μmol/(m^(2)·s),较无光纤仅顶部给光的导光管侧面平均光强提高了2.6倍。微藻在插入阶梯型光纤的光生物反应器(SF-PBR)培养7 d后生物量达到1.9 g/L,比在插入平面端光纤的光生物反应器(FF-PBR)中培养的生物量高46.2%,比仅顶部受光的光生物反应器(Lg-PBR)中培养的生物量高111.1%。当提升光源输入至5.0 W/L,微藻培养7 d后的生物量高达2.8 g/L,培养期间保持高固碳速率(608.3 mg/(L·d)),比对照组Lg-PBR的固碳速率提高1.9倍。

关键词：固碳微藻光生物反应器光纤导光减排

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