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High-throughput calculation-based rational design of Fe-doped MoS_(2) nanosheets for electrocatalytic p H-universal overall water splitting
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作者 Guangtong Hai Xiangdong Xue +3 位作者 Zhenyu Wu canyang zhang Xin Liu Xiubing Huang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第4期194-202,共9页
Electrocatalytic water splitting is crucial for H2generation via hydrogen evolution reaction(HER)but subject to the sluggish dynamics of oxygen evolution reaction(OER).In this work,single Fe atomdoped MoS_(2)nanosheet... Electrocatalytic water splitting is crucial for H2generation via hydrogen evolution reaction(HER)but subject to the sluggish dynamics of oxygen evolution reaction(OER).In this work,single Fe atomdoped MoS_(2)nanosheets(SFe-DMNs)were prepared based on the high-throughput density functional theory(DFT)calculation screening.Due to the synergistic effect between Fe atom and MoS_(2)and optimized intermediate binding energy,the SFe-DMNs could deliver outstanding activity for both HER and OER.When assembled into a two-electrode electrolytic cell,the SFe-DMNs could achieve the current density of 50 mA cm^(-2)at a low cell voltage of 1.55 V under neutral condition.These results not only confirmed the effectiveness of high-throughput screening,but also revealed the excellent activity and thus the potential applications in fuel cells of SFe-DMNs. 展开更多
关键词 High-throughput calculation Overall water splitting Single atom doped catalyst Molybdenum disulfide nanosheet
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Association analysis of an anti-obesity mechanism and key ripened Pu-erh tea bioactive components by mimicking human general tea drinking
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作者 Junyu Liu Zhengyang Song +12 位作者 Haihong Chen Wen Zeng Guirong Han Wei Li Bing Xu Yuan Lu canyang zhang Zhenglian Xue Bin Lü Chong zhang Song Yang Yi Wang Xinhui Xing 《Food Science and Human Wellness》 2025年第2期450-468,共19页
Pu-erh tea,a traditional Chinese beverage,performs an anti-obesity function,but the correlation between its components and efficacy remains unknown.Here,we screened two Pu-erh teas with significant anti-obesity effica... Pu-erh tea,a traditional Chinese beverage,performs an anti-obesity function,but the correlation between its components and efficacy remains unknown.Here,we screened two Pu-erh teas with significant anti-obesity efficacies from 11 teas.In vitro experiments revealed that lipid accumulation in L02 cells and lipid synthesis in 3T3-L1 cells were significantly better inhibited by Tea-B than Tea-A.Further in vivo experiments using model mice revealed that the differences in chemical components generated two pathways in the anti-obesity efficacy and mechanism of Pu-erh teas.Tea-A changes the histomorphology of brown adipose tissue(BAT)and increases the abundance of Coriobacteriaceae_UCG_002 and cyclic AMP in guts through high chemical contents of cyclopentasiloxane,decamethyl,tridecane and 1,2,3-trimethoxybenzene,eventually increasing BAT activation and fat browning gene expression;the high content of hexadecane and 1,2-dimethoxybenzene in Tea-B reduces white adipose tissue(WAT)accumulation and the process of fatty liver,increases the abundance of Odoribacter and sphinganine 1-phosphate,inhibits the expression of lipid synthesis and transport genes.These mechanistic findings on the association of the representative bioactive components in Pu-erh teas with the anti-obesity phenotypes,gut microbes,gut metabolite structure and anti-obesity pathways,which were obtained for the first time,provide foundations for developing functional Pu-erh tea. 展开更多
关键词 Anti-obesity Bioactive components Lipid metabolism Multiomics analysis Pu-erh tea
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