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Reactive molecular dynamics insight into the thermal decomposition mechanism of 2,6-Bis(picrylamino)-3,5-dinitropyridine

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Defence Technology（防务技术） 2024年第3期33卷 134-146页

作者： Jianbo Fu Hui Ren Xinzhou Wu Yongjin Chen mi Zhang Yazhi Cheng State Key Laboratory of Explosion Science and Technology Beijing Institute of TechnologyBeijing 100081China

2,6-bis(picrylamino)-3,5-dinitropyridine(PYX)has excellent thermostability,which makes its thermal decomposition mechanism receive much *** this paper,the mechanism of PYX thermal decomposition was investigated thoroughly by the ReaxFF-lg force field combined with DFT-B3LYP(6-311++G)*** detailed decomposition mechanism,small-molecule product evolution,and cluster evolution of PYX were mainly *** the initial stage of decomposition,the intramolecular hydrogen transfer reaction and the formation of dimerized clusters are earlier than the denitration *** the progress of the reaction,one side of the bitter amino group is removed from the pyridine ring,and then the pyridine ring is *** final products produced in the thermal decomposition process are Co_(2),H_(2)o,N_(2),and H_(2).Among them,H_(2)o has the earliest generation time,and the reaction rate constant(k_(3))is the *** clusters are formed during the decomposition of PYX,and the formation,aggregation,and decomposition of these clusters are strongly affected by *** low temperatures(2500 K-2750 K),many clusters are *** high temperatures(2750 K-3250 K),the clusters aggregate to form larger *** 3500 K,the large clusters decompose and become *** the late stage of the reaction,H and N in the clusters escaped almost entirely,but more o was trapped in the clusters,which affected the auto-oxidation process of ***'s initial decomposition activation energy(E_(a))was calculated to be 126.58 kJ/*** work contributes to a theoretical understanding of PYX's entire thermal decomposition process.

关键词： PYX Thermal decomposition ReaxFF-lg MD simulations Excellent thermostable explosives

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Surface-state controlled synthesis of hydrophobic and hydrophilic carbon dots

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Nano Research 2024年第5期17卷 4391-4399页

作者： Chan Wang Yuan Fang mi Zhang Huan Zhuo Qijun Song Han Zhu Key Laboratory of Synthetic and Biological Colloids Ministry of EducationSchool of Chemical and Material EngineeringJiangnan UniversityWuxi 214122China Jiangsu Snow Leopard Household Chemical Co. Ltd.Wuxi 214400China

It is of great significance to synthesize carbon dots(CDs)with desirable hydrophilicity for the ever-growing application of CDs in different *** this study,the hydrophilic and hydrophobic CDs were facilely prepared by solvothermal treatment of o-dihydroxybenzene and urea in N,N-dimethylformamide(DMF).optimization experiments revealed that the solvothermal temperature has a great impact on the surface states of the *** hydrophobic CDs with a contact angle of 110.7°was obtained at 200℃.The structural and optical characterizations,along with theoretical calculations elucidated that the lipophilic nature of the CDs was resulting from the formation of polymer *** presence of extended conjugated sp^(2)-domains and amino groups contributed to the red emission of the CDs synthesized at low reaction temperatures(160-200℃).With the further increase of solvothermal temperature,the hydrophobic CDs were gradually transformed to the hydrophilic state accompanying the blue shift of the fluorescence of the *** highly hydrophilic CDs with a contact angle of 25.9°were obtained at 240℃ due to the increased formation of hydrophilic functional groups on the surface of *** red emissive CDs exhibited a sensitive color and fluorescence response to ethanol content while the fluorescence of the blue emissive CDs remained *** combining the two kinds of CDs,a dual-emission sensor was constructed,which was successfully applied for the evaluation of the alcoholic strength in commercial Baijiu commodities in both fluorometric and colorimetric modes.

关键词： carbon dots surface chemistry hydrophilicity and hydrophobicity solvothermal temperature alcoholic strength evaluation

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Improving mechanical properties and high-temperature oxidation of press hardened steel by adding Cr and Si

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International Journal of minerals,Metallurgy and Materials 2024年第8期31卷 1865-1875页

作者： Rong Zhu Yonggang Yang Baozhong Zhang Borui Zhang Lei Li Yanxin Wu Zhenli mi National Engineering Research Center for Advanced Rolling and Intelligent Manufacturing University of Science and Technology BeijingBeijing 102206China Manufacturing Management Department Ningbo Iron&Steel Co.Ltd.Ningbo 315800China Hunan Valin Lianyuan Iron and Steel Co. Ltd.Loudi 417009China

This work investigated the effect of Cr and Si on the mechanical properties and oxidation resistance of press hardened *** indicated that the microstructure of the Cr-Si micro-alloyed press hardened steel consisted of lath martensite,M_(23)C_(6)carbides,and retained *** retained austenite and carbides are responsible for the increase in elongation of the micro-alloyed *** addition,after oxidation at 930℃for 5 min,the thickness of the oxide scales on the Cr-Si micro-alloyed press hardened steel is less than 5μm,much thinner than 45.50μm-thick oxide scales on *** oxide scales of the Cr-Si micro-alloyed steel are composed of Fe_(2)o_(3),Fe_(3)o_(4),mixed spinel oxide(FeCr_(2)o_(4)and Fe_(2)Sio_(4)),and amorphous Sio_(2).Adding Cr and Si significantly reduces the thickness of the oxide scales and prevents the generation of the Feo *** to the increase of spinel FeCr_(2)o_(4)and Fe_(2)Sio_(4)phase in the inner oxide scale and the amorphous Sio_(2)close to the substrate,the oxidation resistance of the Cr-Si micro-alloyed press hardened steel is improved.

关键词： Cr-Si micro-alloyed press hardened steel mechanical properties oxidation resistance amorphous Sio_(2)

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An in-situ self-etching enabled high-power electrode for aqueous zinc-ion batteries

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Journal of Energy Chemistry 2024年第1期88卷 399-408,I0009页

作者： Shuang Hou Dingtao Ma Yanyi Wang Kefeng ouyang Sicheng Shen Hongwei mi Lingzhi Zhao Peixin Zhang College of Chemistry and Environmental Engineering Shenzhen UniversityShenzhen 518060GuangdongChina Guangdong Provincial Engineering Technology Research Center for Low Carbon and Advanced Energy Materials School of Semiconductor Science and TechnologySouth China Normal UniversityFoshan 528225GuangdongChina SCNU Qingyuan Institute of Science and Technology Innovation Co. Ltd.Qingyuan 511517GuangdongChina

Sluggish storage kinetics is considered as the main bottleneck of cathode materials for fast-charging aqueous zinc-ion batteries(AZIBs).In this report,we propose a novel in-situ self-etching strategy to unlock the Palm tree-like vanadium oxide/carbon nanofiber membrane(P-Vo/C)as a robust freestanding *** investigations including the finite element simulation,in-situ X-ray diffraction,and in-situ electrochemical impedance spectroscopy disclosed it an electrochemically induced phase transformation mechanism from Vo to layered Zn_(x)V_(2)o_5·nH_(2)o,as well as superior storage kinetics with ultrahigh pseudocapacitive *** demonstrated,such electrode can remain a specific capacity of 285 mA h g^(-1)after 100 cycles at 1 A g^(-1),144.4 mA h g^(-1)after 1500 cycles at 30 A g^(-1),and even 97 mA h g^(-1)after 3000 cycles at 60 A g^(-1),***,an impressive power density of 78.9 kW kg^(-1)at the super-high current density of 100 A g^(-1)also can be *** design concept of in-situ self-etching free-standing electrode can provide a brand-new insight into extending the pseudocapacitive storage limit,so as to promote the development of high-power energy storage devices including but not limited to AZIBs.

关键词： In-situ self-etching Free-standing electrode Pseudocapacitive storage High-power Zinc-ion batteries

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A stable radiochromic semiconductive viologen-based metal-organic framework for dual-mode direct X-ray detection

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Chinese Chemical Letters 2024年第9期35卷 437-441页

作者： Xuying Yu Jiarong mi Yulan Han Cai Sun mingsheng Wang Guocong Guo State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou 350608China College of Chemistry Fuzhou UniversityFuzhou 350108China University of Chinese Academy of Sciences Beijing 100049China School of Chemistry and Chemical Engineering Queen’s University BelfastBelfast BT95AGUnited Kingdom

Direct X-ray detectors,which directly convert X-rays into electrical signals through semiconductors,have higher space solution than scintillator-mediated indirect X-ray ones and are high desirable for early cancer detection and other applications,but the mainstream commercialα-Se detector is still largely limited by high production costs,large leakage current and low *** article reports an easily prepared,stable radiochromic semiconductive metal–organic framework(MoF),(MV)[Cd_(3)(tdc)_(4)]·2H_(2)o(RCS-1,H_(2)tdc=2,5-thiophenedicarboxylic acid;MV^(2+)=methyl viologen cation)with direct X-ray detecting *** a large bulk resistivity of 8.40×10^(9)Ωcm,this material ensures minimal dark current and low noise for X-ray ***,it exhibits higher sensitivity to W KαX-rays(98.58μC Gy^(-1)cm^(-2))thanα-Se(~20μC Gy^(-1)cm^(-2)).Meanwhile,unlike most reported direct X-ray detecting semiconductors,compound RCS-1 shows remarkable color change upon X-ray irradiation owing to the presence of photochromism-active viologen *** feature offers an appealing visual detecting ability to direct X-ray detectors that provide only the electrical signals.

关键词： Metal-organic framework Viologen Photochromism Conductance X-ray detection

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A novel Tb^(3+) and Eu^(3+) co-doped dual-emitting phosphate K_(3)SrBi(P_(2)o_(7))_(2) phosphor for application in FIR thermometers

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Journal of Rare Earths 2024年第3期42卷 455-463,I0001页

作者： Baochen Wang Shifeng Sun Zeqi Li Zongwang Li Weiwei Lin Chao Zeng Yan-gai Liu Ruiyu mi School of Chemical and Environmental Engineering Anhui Polytechnic UniversityWuhu241000China State-Province Joint Engineering Laboratory of Zeolite Membrane Materials Key Lab of Fluorine and Silicon for Energy Materials and Chemistry of Ministry of EducationInstitute of Advanced MaterialsCollege of Chemistry and Chemical EngineeringJiangxi Normal UniversityNanchang330022China Beijing Key Laboratory of Materials Utilization of Nonmetallic minerals and Solid Wastes National Laboratory of Mineral MaterialsSchool of Materials Science and TechnologyChina University of GeosciencesBeijing100083China

Rare earth co-doped phosphor for fluorescence intensity ratio(FIR) thermometer has gained increasing attention in recent years. Herein, the novel Tb^(3+)and Eu^(3+)co-doped K_(3)SrBi(P_(2)o_(7))_(2)(KSBP) phosphate phosphors were reported. The crystal structure of the title phosphor was determined using Rietveld refinement and proved to have a three-dimensional structure. The time-resolved spectroscopy reveals that there is almost no energy transfer between Tb^(3+)and Eu^(3+). More importantly, Tb^(3+)and Eu^(3+)emissions show different thermal quenching behaviors, which claims the potential of this material for application in optical thermometer. The FIR of the typical KSBP:0.02Tb^(3+),0.04Eu^(3+)sample demonstrates a polynomial relationship as a function of temperature and the absolute and relative sensitivity are0.025 K^(-1) and 0.59%/K, respectively. In general, our study reports a novel and potential KSBP:Tb^(3+),Eu^(3+)phosphate phosphor that is promising for use in high-sensitive FIR thermometers.

关键词： Phosphor Thermometer Fluorescence intensity ratio Thermal stability Rare earths

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FoXo1 reshapes neutrophils to aggravate acute brain damage and promote late depression after traumatic brain injury

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military Medical Research 2024年第4期11卷 521-542页

作者： mi Zhou Yang-Wu-Yue Liu Yu-Hang He Jing-Yu Zhang Hao Guo Hao Wang Jia-Kui Ren Yi-Xun Su Teng Yang Jia-Bo Li Wen-Hui He Peng-Jiao Ma Man-Tian mi Shuang-Shuang Dai Department of Biochemistry and Molecular Biology School of Basic MedicineArmy Medical UniversityChongqing 400038China Research Center for Nutrition and Food Safety Chongqing Key Laboratory of Nutrition and HealthInstitute of Military Preventive MedicineArmy Medical UniversityChongqing 400038China Department of Neurosurgery Daping HospitalArmy Medical UniversityChongqing 400042China Department of Trauma and Emergency Southwest HospitalArmy Medical UniversityChongqing 400038China Department of Histology and Embryology Chongqing Key Laboratory of NeurobiologyBrain and Intelligence Research Key Suyixun Laboratory of Chongqing Education CommissionArmy Medical UniversityChongqing 400038China Research Center Seventh Affiliated Hospital of Sun Yat-Sen UniversityShenzhen 518107GuangdongChina

Background:Neutrophils are traditionally viewed as first responders but have a short onset of action in response to traumatic brain injury(TBI).However,the heterogeneity,multifunctionality,and time-dependent modulation of brain damage and outcome mediated by neutrophils after TBI remain poorly ***:Using the combined single-cell transcriptomics,metabolomics,and proteomics analysis from TBI patients and the TBI mouse model,we investigate a novel neutrophil phenotype and its associated effects on TBI outcome by neurological deficit scoring and behavioral *** also characterized the underlying mechanisms both invitro and invivo through molecular simulations,signaling detections,gene expression regulation assessments[including dual-luciferase reporter and chromatin immunoprecipitation(ChIP)assays],primary cultures or co-cultures of neutrophils and oligodendrocytes,intracellular iron,and lipid hydroperoxide concentration measurements,as well as forkhead box protein o1(FoXo1)conditional knockout ***:We identified that high expression of the FoXo1 protein was induced in neutrophils after TBI both in TBI patients and the TBI mouse *** of these FoXo1high neutrophils in the brain was detected not only in the acute phase but also in the chronic phase post-TBI,aggravating acute brain inflammatory damage and promoting late TBI-induced *** the acute stage,FoXo1 upregulated cytoplasmic Versican(VCAN)to interact with the apoptosis regulator B-cell lymphoma-2(BCL-2)-associated X protein(BAX),suppressing the mitochondrial translocation of BAX,which mediated the antiapoptotic effect companied with enhancing interleukin-6(IL-6)production of FoXo1high *** the chronic stage,the“FoXo1-transferrin receptor(TFRC)”mechanism contributes to FoXo1high neutrophil ferroptosis,disturbing the iron homeostasis of oligodendrocytes and inducing a reduction in myelin basic protein,which contributes to the progression of late depression afte

关键词： Traumatic brain injury(TBI) Neutrophil Forkhead box protein o1(FoXo1) Acute stage Chronic stage

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Unveiling the emerging role of curcumin to alleviate ochratoxin A-induced muscle toxicity in grass carp(Ctenopharyngodon idella):in vitro and in vivo studies

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Journal of Animal Science and Biotechnology 2024年第4期15卷 1638-1656页

作者： Piao Zhao Lin Feng Weidan Jiang Pei Wu Yang Liu Hongmei Ren Xiaowan Jin Lu Zhang Haifeng mi Xiaoqiu Zhou Animal Nutrition Institute Sichuan Agricultural UniversityChengdu 611130SichuanChina Fish Nutrition and Safety Production University Key Laboratory of Sichuan Province Sichuan Agricultural UniversityChengdu 611130SichuanChina Key Laboratory of Animal Disease‑Resistance Nutrition Ministry of EducationMinistry of Agriculture and Rural AffairsKey Laboratory of Sichuan ProvinceChengdu 611130SichuanChina Tongwei Co. Ltd.Healthy Aquaculture Key Laboratory of Sichuan ProvinceChengdu 610041SichuanChina

Background ochratoxin A(oTA),a globally abundant and extremely hazardous pollutant,is a significant source of contamination in aquafeeds and is responsible for severe food *** developmental toxicity of oTA and the potential relieving strategy of natural products remain *** study screened the substance curcumin(Cur),which had the best effect in alleviating oTA inhibition of myoblast proliferation,from 96 natural products and investigated its effect and mechanism in reducing oTA myotoxicity in vivo and in *** A total of 720 healthy juvenile grass carp,with an initial average body weight of 11.06±0.05 g,were randomly assigned into 4 groups:the control group(without oTA and Cur),1.2 mg/kg oTA group,400 mg/kg Cur group,and 1.2 mg/kg oTA+400 mg/kg Cur *** treatment consisted of 3 replicates(180 fish)for 60 *** Firstly,we cultured,purified,and identified myoblasts using the tissue block culture *** preliminary screening and re-screening of 96 substances,we examined cell proliferation-related indicators such as cell viability and ultimately found that Cur had the best ***,Cur could alleviate oTA-inhibited myoblast differentiation and myofibrillar development-related proteins(Myo G and MYHC)in vivo and in vitro and improve the growth performance of grass ***,Cur could also promote the expression of oTA-inhibited protein synthesis-related proteins(S6K1 and ToR),which was related to the activation of the AKT/ToR signaling ***,Cur could downregulate the expression of oTA-enhanced protein degradation-related genes(murf1,foxo3a,and ub),which was related to the inhibition of the Fox o3a signaling *** In summary,our data demonstrated the effectiveness of Cur in alleviating oTA myotoxicity in vivo and in *** study confirms the rapidity,feasibility,and effectiveness of establishing a natural product screening method targeting myoblasts to alleviate fungal toxin toxicity.

关键词： Curcumin Grass carp Myotoxic ochratoxin A Protein deposition

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Acceptance of CoVID-19 vaccine and its related determinants in Nigeria:An online survey

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World Journal of Virology 2024年第4期13卷 89-110页

作者： Eyiuche D Ezigbo Seyi S Enitan Esther N Adejumo Abiodun E Durosinmi Richard Y Akele mi.hael o dada Grace E Itodo Abah M Idoko okeoghene M Edafetanure-Ibeh Edwin N okafor Adedeji A Abdulsalam oyekan I oyedoyin Polit U Yelpoji ogunwola o opeyemi ogbuji S Nmesomachi Adesola o oyekale Chisom B onyeji Haemostasis and Thrombosis Unit Department of Medical Laboratory SciencesUniversity of NigeriaEnugu CampusEnuguEN 400241Nigeria Department of Medical Laboratory Science School of Public and Allied HealthBabcock UniversityIlishan-RemoOG 121109Nigeria Department of Medical Laboratory Science State HospitalIjebu-OdeOG 120221Nigeria Department of Biomedical Science School of Applied ScienceUniversity of BrightonBrightonES BN24ATUnited Kingdom Department of microbiology Federal Teaching Hospital LokojaLokojaKO 260006Nigeria Department of Hematology and Blood Group Serology Federal College of Veterinary and Medical Laboratory TechnologyVomPL 930101Nigeria Department of Environmental and occupational Health Texas A and M University School of Public HealthGarlandTX 75049United States Division of Chemical Pathology Department of Medical Laboratory SciencesUniversity of NigeriaEnugu CampusEnuguEN 400102Nigeria School of Molecular Bioscience Sciences College of MedicalVeterinary and Life SciencesUniversity of GlasgowGlasgowSCO G128QQUnited Kingdom Department of Medical Laboratory Science State Hospital Ijebu-OdeIjebu-OdeOG 360101Nigeria Department of Medical Laboratory Science Faculty of Health Sciences and TechnologyUniversity of JosJosPL 930103Nigeria Department of Medical Laboratory Science Bola Tinubu Health and Diagnostic CenterLagosLA 100102Nigeria Department of Pathology 68 Nigerian Army Reference HospitalYabaLA 1211001Nigeria Department of Medical Laboratory Science Ladoke Akintola University of TechnologyOgbomosoOS 2111105Nigeria

BACKGRoUND Vaccine hesitancy is a major challenge in the fight against the coronavirus disease 2019(CoVID-19)*** the sociodemographic factors associated with vaccine acceptance among Nigerians is crucial for improving vaccine *** To assess the acceptance rate of CoVID-19 vaccine and its related determinants among *** An online cross-sectional survey(observational study)was conducted between February 2021 and May 2021,using a questionnaire hosted on *** invitation to take part in the poll was sent out to participants through social networking platforms.A logistic regression was used to determine which sociodemographic factors were associated with vaccine acceptance *** A total of 1800 persons responded to the survey,a larger proportion of whom were males(53.9%)and within the age group of 21-30 years(29.4%)and earned an average income of less than$500 per month(43.3%).only 0.56%of participants had a high perceived risk of CoVID-19 infection,while only 1.11%had a perceived risk of dying from *** perception rate of the CoVID-19 vaccine among participants was 51.1%,while the acceptance rate was 63.9%.There was no significant association between the CoVID-19 vaccine acceptance rate and related determinants assessed,particularly age(χ²=3.049,P=0.550),sex(χ²=0.102,P=0.749),average income(χ²=3.802,P=0.875),and religion(χ²=2.819,P=0.420).Participants with chronic conditions demonstrated a higher acceptance rate compared to the general *** Despite the positive perception observed and substantial vaccine acceptance rate among the study participants,more public health interventions are still needed to enhance vaccine acceptability in Nigeria.

关键词： Acceptance CoVID-19 Determinants Hesitancy Nigerians online survey Vaccine

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2-o-β-D-Glucopyranosyl-L-ascorbic acid,an ascorbic acid derivative isolated from the fruits of Lycium barbarum L.,ameliorates high fructose-induced neuroinflammation in mice:involvement of gut microbiota and leaky gut

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Food Science and Human Wellness 2024年第1期13卷 241-253页

作者： Wei Dong Yujia Peng Guijie Chen Zhiyong Xie Weiqi Xu Wangting Zhou Jia mi Lu Lu Yi Sun Xiaoxiong Zeng Youlong Cao Yamei Yan College of Food Science and Technology Nanjing Agricultural UniversityNanjing 210095China Institute of Wolfberry Engineering Technology National Wolfberry Engineering Research CenterNingxia Academy of Agriculture and Forestry SciencesYinchuan 750002China

Western diet(rich in highly refined sugar and fat)can induce a range of metabolic dysfunctions in animals and humans,including neuroinflammation and cognitive function *** and cognitive impairment,two critical pathological characteristics of Alzheimer’s disease,have been closely associated with microbial alteration via the gut-brain ***,the present study aimed to investigate the influence of 2-o-β-D-glucopyranosyl-L-ascorbic acid(AA-2βG)isolated from the fruits of Lycium barbarum on preventing the high-fructose diet(HFrD)induced neuroinflammation in *** was found that AA-2βG prevented HFr D-induced cognitive ***-2βG also predominantly enhanced the gut barrier integrity,decreased lipopolysaccharide entry into the circulation,which subsequently countered the activation of glial cells and neuroinflammatory *** beneficial effects were transmissible by horizontal fecal microbiome transplantation,transferring from AA-2βG fed mice to HFr D fed ***,AA-2βG exerted neuroprotective effects involving the enrichment of Lactobacillus and Akkermansia,potentially beneficial intestinal *** present study provided the evidence that AA-2βG could improve indices of cognition and neuroinflammmation via modulating gut dybiosis and preventing leaky *** a potential functional food ingredient,AA-2βG may be applied to attenuate neuroinflammation associated with Western-style diets.

关键词： Neuroinfl ammation Gut microbiota Leaky gut Lipopolysaccharide Fecal microbiome transplantation 2-o-β-D-Glucopyranosyl-L-ascorbic acid

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