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Effect of fermented Rosa roxburghii Tratt fruit juice on gut microbiota in a dextran sulfate sodium-induced colitis mouse model
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作者 Yunyang Zuo haoxiang xu +6 位作者 Dandan Feng Yuanyuan Shi Jiuchang Li Maoyang Wei Ling Wang Yulong Zhang Ping Hu 《Food Science and Human Wellness》 SCIE CAS CSCD 2024年第4期2234-2243,共10页
This study mainly investigated the regulatory effect of Rosa roxburghii Tratt fruit juice fermented by Lacticaseibacillus paracasei SR10-1(LAB-RRTJ)on modulating gut microbiota in dextran sulfate sodium(DSS)-induced u... This study mainly investigated the regulatory effect of Rosa roxburghii Tratt fruit juice fermented by Lacticaseibacillus paracasei SR10-1(LAB-RRTJ)on modulating gut microbiota in dextran sulfate sodium(DSS)-induced ulcerative colitis in mice.Compared to control group,DSS induction decreased body weight of mice,indexes of Shannon,Simpson,Chao1 and Faith_pd,and increased disease activity index(DAI)and levels of interleukin 1β(IL-1β),IL-6,tumor necrosis factorα(TNF-α)and interferon-γ(IFN-γ);And this induction also led to an increase in Proteobacteria,Verrucomicrobia and Actinobacteria at phylum level,harmful bacterial species richness at genus level,and relative richness of S.sciuri,Desulfovibrio C21_c20,R.gnavus and Akkermansia muciniphila at species level,and a decrease in Firmicutes at phylum level and relative richness of B.acidifaciens in mice.LAB-RRTJ increased body weight of mice with DSS induced ulcerative colitis(UC)and indexes of Shannon,Simpson,Chao1 and Faith_pd,reduced DAI and the content of four infl ammatory factors and improved gut microbiota imbalance in DSS induced UC mice.Besides,the number of operational taxonomic units(OTUs)increased,α-diversity andβ-diversity were restored and similar to those in mice in the control group after LAB-RRTJ treatment.Compared with the positive drug treatment group,LAB-RRTJ has a better effect on regulating gut microbiota diversity in colitis mice.Correlation analysis showed that infl ammatory factors were positively correlated with harmful bacteria and negatively correlated with beneficial bacteria which commonly found in some colitis mice.Taken together,our study demonstrated that LAB-RRTJ could alleviate DSS-induced colitis in mice through the modulation of infl ammatory cytokines and gut microbiota composition. 展开更多
关键词 Rosa roxburghii Tratt Lacticaseibacillus paracasei Ulcerative colitis Fermentation characteristics
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用于氧还原反应的Fe-N-C单原子催化剂的缺陷工程 被引量:1
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作者 姜润 乔泽龙 +1 位作者 许昊翔 曹达鹏 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 2023年第5期224-234,共11页
过渡金属M-N-C单原子催化剂(SACs),特别是Fe-N-C催化剂.已被认为是替代铂族金属进行氧还原反应(ORR)的最佳候选材料之一.实验研究和理论计算均表明,FeN_(4)配位结构是Fe-N-C材料的活性中心,但实验合成不可避免的构型缺陷明显影响了FeN_... 过渡金属M-N-C单原子催化剂(SACs),特别是Fe-N-C催化剂.已被认为是替代铂族金属进行氧还原反应(ORR)的最佳候选材料之一.实验研究和理论计算均表明,FeN_(4)配位结构是Fe-N-C材料的活性中心,但实验合成不可避免的构型缺陷明显影响了FeN_(4)中心的物理性质和催化活性.目前有些技术能可控地产生缺陷,这为原子级调控Fe-N-C催化剂局部结构提供可能.目前关于缺陷对Fe-N-C材料ORR活性影响的计算研究仍存在一些不足,如未考虑Fe位点的预吸附行为,没有系统考察各种缺陷结构对FeN_(4)中心的ORR活性的影响.因此,探索不同缺陷类型及其位置对ORR活性的影响,揭示缺陷Fe-N-C催化剂的结构-性能关系,对于进一步指导实验调控局部结构以获得高性能的Fe-N-C氧还原催化剂具有极其重要的意义.本文在FeN_(4)位点周围的二、三、四壳层内构建了13种含555777缺陷的Fe-N-C模型、16种含5775缺陷的Fe-N-C模型和14种含585缺陷的Fe-N-C模型,研究了缺陷对Fe-N-C材料ORR活性的影响,以及缺陷种类和位置对FeN_(4)位点ORR活性的影响.首先通过DFT计算确定了缺陷Fe-N-C材料在ORR过程中真正的活性位点结构,即当Fe-N键长>2.10Å时,Fe位点不会预吸附任何中间体,其活性中心为FeN_(4),速率决定步骤(PDS)为*OH质子化为H_(2)O(*OH+H^(+)+e^(-)→*+H_(2)O);而当Fe-N键长<2.10Å时,Fe位点会预吸附*OH物种形成Fe(OH)N_(4)活性中心,其PDS为O_(2)质子为*OOH(*+O_(2)+H^(+)+e-→*OOH).预吸附的*OH会通过调节Fe(OH)N_(4)位点(特别是Fe-dz^(2)和dyz轨道之间)和再吸附的*OH中间体之间的电子分布,降低Fe中心的吸附能力,从而提高ORR活性.也进一步揭示了Fe(dxz)-O(px)、Fe(dyz)-O(py)和Fe(dz^(2))-O(pz+s)轨道的杂化是缺陷Fe-N-C材料ORR活性的来源.为了在不进行DFT计算的情况下实现结构-性能关系的预测,基于Fe(OH)N_(4)位点的LFe-OH(Fe-OH的键长)和LFe-defect(Fe原子和缺陷的距离),建立了一个通用的仅与材料本征性能相关的结构描述符φ,该描述符可以准确和定量地预测缺陷Fe-N-C催化剂的ORR活性.研究发现,5775和585缺陷的大环毗邻Fe-N-C五边形环时通常会增加LFe-OH和LFe-defect,这显著调节了Fe-dyz轨道在费米能级上方的峰值位置,以接近最佳能级,从而提高了ORR性能.此外,提出了与Fe-N键长相关的指数α,以确认实验中是否形成主动设计的缺陷.综上,本文揭示了缺陷Fe-N-C材料的ORR活性来源,建立了一个内在的结构描述符φ,可以无需DFT计算准确预测ORR活性,为通过缺陷工程提高Fe-N-C的ORR性能提供了新思路. 展开更多
关键词 单原子催化剂 氧还原反应 缺陷工程 轨道杂化理论 预吸附 结构描述符
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First-principles-aided thermodynamic modeling of transition-metal heterogeneous catalysts:A review 被引量:1
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作者 haoxiang xu Daojian Cheng 《Green Energy & Environment》 SCIE CSCD 2020年第3期286-302,共17页
Over the past decade,the first-principles-aided thermodynamic models have become standard theoretical tools in research on structural stability and evolution of transition-metal heterogeneous catalysts under reaction ... Over the past decade,the first-principles-aided thermodynamic models have become standard theoretical tools in research on structural stability and evolution of transition-metal heterogeneous catalysts under reaction environment.Advances in first-principles-aided thermodynamic models mean it is now possible to enable the operando computational modeling,which provides a deep insight into mechanism behind structural stability and evolution,and paves the way for high-through screening for promising transition-metal heterogeneous catalysts.Here,we briefly review the framework and foundation of first-principles-aided thermodynamic models and highlight its contribution to stability analysis on catalysts and identification of reaction-induced structural evolution of catalyst under reaction environment.The present review is helpful for understanding the ongoing developments of first-principles-aided thermodynamic models,which can be employed to screen high-stability catalysts and predict their structural reconstruction in future rational catalyst design. 展开更多
关键词 First-principles calculation Thermodynamic principle Transition metal catalyst Structural stability Structural evolution
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Design of CuCs-doped Ag-based Catalyst for Ethylene Epoxidation
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作者 Qi-xing Wen haoxiang xu +2 位作者 Yang Nan Yuan Xie Daojian Cheng 《Chinese Journal of Chemical Physics》 SCIE EI CAS CSCD 2022年第4期589-599,I0001-I0003,I0149,共15页
Our recent theoretical studies have screened out CuCs-doped Ag-based promising catalysts for ethylene epoxidation[ACS Catal.11,3371(2021)].The theoretical results were based on surface modeling,while in the actual rea... Our recent theoretical studies have screened out CuCs-doped Ag-based promising catalysts for ethylene epoxidation[ACS Catal.11,3371(2021)].The theoretical results were based on surface modeling,while in the actual reaction process Ag catalysts are particle shaped.In this work,we combine density functional theory(DFT),Wulff construction theory,and micro kinetic analysis to study the catalytic performance of Ag catalysts at the particle model.It demonstrates that the CuCs-doped Ag catalysts are superior to pure Ag catalysts in terms of selectivity and activity,which is further proved by experimental validation.The characterization analysis finds that both Cu and Cs dopant promote particle growth as well as particle dispersion,resulting in a grain boundary-rich Ag particle.Besides,CuCs also facilitate electrophilic atomic oxygen formation on catalyst surface,which is benefitial for ethylene oxide formation and desorption.Our work provides a case study for catalyst design by combining theory and experiment. 展开更多
关键词 Ethylene epoxidation Ag catalyst CuCs dopant Particle model Density functional theory calculation Microkinetic analysis
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基于结构描述符的催化剂理论设计研究进展
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作者 王甲一 车春霞 +2 位作者 朱吉钦 许昊翔 程道建 《中国科学:化学》 CAS CSCD 北大核心 2024年第11期2071-2082,共12页
非均相催化剂在化学工业中占有十分重要的地位,但其表面结构较为复杂,采用传统“试错法”研发高效非均相催化剂会耗费大量的实验或者计算资源.根据密度泛函理论(DFT)构建“结构描述符”定量表示催化剂“表面结构-催化性能”间的关联,通... 非均相催化剂在化学工业中占有十分重要的地位,但其表面结构较为复杂,采用传统“试错法”研发高效非均相催化剂会耗费大量的实验或者计算资源.根据密度泛函理论(DFT)构建“结构描述符”定量表示催化剂“表面结构-催化性能”间的关联,通过调控催化剂结构特征即可完成催化剂的理论设计,可大幅提高催化剂的研发效率.本文以单原子催化剂、合金催化剂、颗粒催化剂为例,展示了催化剂元素组成、形貌尺寸等对催化性能的本质影响,详细介绍了不同尺度催化剂上常见的电子结构、几何结构特征参数和“结构描述符”构建过程,阐述了近些年基于“结构描述符”的非均相催化剂的理论设计研究进展,并讨论了“结构描述符”在催化剂理论设计中的局限性和未来发展方向. 展开更多
关键词 密度泛函理论 非均相催化剂 催化剂设计 描述符
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Screening for viruses in lung adenocarcinoma in China 被引量:1
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作者 Zhuxing Chen Peng Liang +8 位作者 haoxiang xu Shengli Yang Jilong Liu Shifu Chen Ran Zhong Akira Sugimoto Wenhua Liang Jianxing He Tomoya Kawaguchi 《Chinese Medical Journal Pulmonary and Critical Care Medicine》 2024年第3期197-199,共3页
To the Editor,Considerable numbers of cases of lung adenocarcinoma(LUAD)in non-smokers with unclear etiology have been reported.Viral and bacterial infections are the common causes of lung and respiratory diseases.1 H... To the Editor,Considerable numbers of cases of lung adenocarcinoma(LUAD)in non-smokers with unclear etiology have been reported.Viral and bacterial infections are the common causes of lung and respiratory diseases.1 However,whether LUAD development coexists with virus infection is still unknown.Histological staining and polymerase chain reaction(PCR)are often used to detect virus in blood,sputum,and alveolar lavage fluid samples.Whole-genome sequencing(WGS)is an unbiased method with a high throughput nature that can be applied for a broader assessment of viruses.Previous studies described the viral landscape in pan-cancer in The Cancer Genome Atlas(TCGA)or cohort studies;however,these studies did not include Asian populations.Therefore,we sought to screen the common viral pathogens in a nationwide cohort of LUAD patients in China and further explored other potential viral pathogens by analyzing the WGS data from our single-center cohort.2 To systematically investigate the viral associations with LUAD in China,we conducted a comprehensive study that included two distinct cohorts. 展开更多
关键词 ADENOCARCINOMA LUNG RESPIRATORY
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Oxygen-Reconstituted Active Species of Single-Atom Cu Catalysts for Oxygen Reduction Reaction 被引量:1
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作者 Liu Yang haoxiang xu +6 位作者 Huibing Liu Xiaofei Zeng Daojian Cheng Yan Huang Lirong Zheng Rui Cao Dapeng Cao 《Research》 EI CAS 2020年第1期1330-1341,共12页
Identification of an active center of catalysts under realistic working conditions of oxygen reduction reaction(ORR)still remains a great challenge and unclear.Herein,we synthesize the Cu single atom embedded on nitro... Identification of an active center of catalysts under realistic working conditions of oxygen reduction reaction(ORR)still remains a great challenge and unclear.Herein,we synthesize the Cu single atom embedded on nitrogen-doped graphene-like matrix electrocatalyst(abbreviated as SA-Cu/NG).The results show that SA-Cu/NG possesses a higher ORR capability than 20%Pt/C at alkaline solution while the inferior activity to 20%Pt/C at acidic medium.Based on the experiment and simulation calculation,we identify the atomic structure of Cu-N_(2)C_(2) in SA-Cu/NG and for the first time unravels that the oxygenreconstituted Cu-N_(2)C_(2)-O structure is really the active species of alkaline ORR,while the oxygen reconstitution does not happen at acidic medium.The finding of oxygen-reconstituted active species of SA-Cu/NG at alkaline media successfully unveils the bottleneck puzzle of why the performance of ORR catalysts at alkaline solution is better than that at acidic media,which provides new physical insight into the development of new ORR catalysts. 展开更多
关键词 ALKALINE OXYGEN abbreviated
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下肢单纯疱疹伴复发性多形红斑一例
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作者 Min Zhang Mengli Zhang +3 位作者 Mei Ju haoxiang xu 张敏(译) 徐浩翔(校) 《英国医学杂志中文版》 2022年第3期178-180,共3页
患者女,28岁,双下肢反复出现红斑、水疱2年。2年前,患者多次出现双下肢红斑、水疱伴疼痛(约20次),右臀部群集性小水疱伴瘙痒(约24次),臀部皮损于劳累后或月经期出现。在过去1年半中,患者曾6次出现舌、颊黏膜糜烂。就诊前1个月,患者左臀... 患者女,28岁,双下肢反复出现红斑、水疱2年。2年前,患者多次出现双下肢红斑、水疱伴疼痛(约20次),右臀部群集性小水疱伴瘙痒(约24次),臀部皮损于劳累后或月经期出现。在过去1年半中,患者曾6次出现舌、颊黏膜糜烂。就诊前1个月,患者左臀新发红色丘疹,上覆少许鳞屑,边界不清。过去2年病程中,患者上肢、躯干偶见散在红斑、水疱。 展开更多
关键词 红色丘疹 单纯疱疹 小水疱 右臀部 多形红斑 群集性 黏膜糜烂 月经期
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