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Molecular surface functionalization of In_(2)O_(3) to tune interfacial microenvironment for enhanced catalytic performance of CO_(2) electroreduction

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Nano Research 2024年第3期17卷 1242-1250页

作者： suwen WangQiang GaoCui Xu Shuai Jiang Mengyang Zhang Xianjun Yin Hui-Qing Peng Bin Liu Yu-Fei song State Key Laboratory of Chemical Resource Engineering Beijing Advanced Innovation Center for Soft Matter Science and EngineeringCollege of ChemistryBeijing University of Chemical TechnologyBeijing 100029China

Indium-based materials(e.g.,In_(2)O_(3))are a class of promising non-noble metal-based catalysts for electroreduction of carbon dioxide(CO_(2)).However,competitive hydrogen reduction reaction(HER)on indium-based catalysts hampers CO_(2) reduction reaction(CO_(2)RR)*** herein tune the interfacial microenvironment of In_(2)O_(3) through chemical graft of alkyl phosphoric acid molecules using a facile solution-processed strategy for the first time,which is distinguished from other researches that tailor intrinsic activity of In_(2)O_(3) *** surface functionalization of alkyl phosphoric acids over In_(2)O_(3) is demonstrated to remarkably boost CO_(2) *** example,octadecylphosphonic acid modified In_(2)O_(3) exhibits Faraday efficiency for H_(2) H_(2) H_(2)(FE)of as low as 6.6%and FEHCOOH of 86.5%at-0.67 V ***,which are far superior to parent In_(2)O_(3) counterparts(FE of 24.0%and FEHCOOH of 63.1%).Moreover,the enhancing effect of alkyl phosphoric acid functionalization is found to be closely related to the length of alkyl *** virtue of comprehensive experimental characterizations and molecular dynamics simulations,it is revealed that the modification of alkyl phosphoric acids significantly alters the interface microenvironment of the electrocatalyst,which changes the electrocatalyst surface from hydrophilic and aerophobic to hydrophobic and *** this case,the water molecules are pushed away and more CO_(2) molecules are trapped,increasing local CO_(2) concentration at In_(2)O_(3) active sites,thus leading to the significantly enhanced CO_(2)RR and suppressed *** work highlights the importance of regulating the interfacial microenvironment of inorganic catalysts by molecular surface functionalization as a means for promoting the electrochemical performance in electrosynthesis and beyond.

关键词： carbon dioxide(CO_(2))electroreduction interfacial microenvironment molecular surface functionalization In_(2)O_(3)catalyst water and CO_(2)diffusion

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Application of machine learning algorithm in intrusion detection technology 6

Application of machine learning algorithm in intrusion detec...

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6th International Conference on Computer Information Science and Application Technology, CISAT 2023

作者： Zhang, Tianyu song, Ming Zhang, Qiang Li, suwen China Academy of Railway Sciences Corporation Limited Standards & Metrology Research Institute Beijing China

ISBN: (纸本)9781510668546

Intrusion Detection (ID), as an effective network security protection technology, is an important means to ensure network security. In order to solve the problem that traditional intrusion detection technology is difficult to adapt to the current complex and changeable new network attacks, this paper uses the Random Forest(RF) algorithm of machine learning algorithm to solve this problem. Random forest algorithm has good feature learning and classification ability, which can effectively improve the accuracy of intrusion detection system. However, when the characteristic values of the sample data are high, its time complexity will also be high. In this paper, K-means clustering algorithm and One-Rule algorithm are introduced to improve the random forest algorithm, improve its modeling and classification speed, and further improve the detection efficiency by means of hierarchical division. In this paper, the proposed KOne-RF algorithm is verified by using NSL-KDD data set. Experimental results show that compared with the traditional RF algorithm, KOne-RF algorithm has improved modeling time, detection classification and detection accuracy, and detection ability for different types of attack behavior, which verifies the reliability of KOne-RF algorithm. © 2023 SPIE.

关键词： Intrusion detection

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The investigation of retrieval method for aerosol and water vapor profiles based on MAX-DOAS technology

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ATMOSPHERIC POLLUTION RESEARCH 2024年第8期15卷

作者： Zhou, Chuang Li, suwen Mou, Fusheng Luo, Jing Wang, song Ye, Fan Wang, Zhiduo Tang, Yujie Huaibei Normal Univ Anhui Prov Key Lab Pollutant Sensit Mat & Environm Huaibei 235000 Anhui Peoples R China

Simultaneously obtaining the vertical distribution and profile of aerosol and water vapor is crucial for in-depth understanding of the Earth's radiation balance, regional water cycle, and the causes of frequent haze weather in China. This study developed a system and inversion method based on multi-axis differential optical absorption spectroscopy (MAX-DOAS) to simultaneously retrieve tropospheric aerosol and water vapor profiles. The absorption of dioxy (O4) was obtained by multi-elevation measurement using the developed ground-based MAXDOAS system. By minimizing a cost function combining an atmospheric radiative transfer model, aerosol extinction profiles were first inverted, followed by water vapor profiles. Optimized parameter selection in the look-up table method reduced reliance on prior profile information, enhancing pollutant distribution retrieval accuracy. In the monitoring period in Huaibei region, aerosols were mainly below 1.5 km, while water vapor concentrations decreased with altitude. Comparisons of water vapor vertical column densities (VCDs) retrieved through the look-up table method with the European Centre for Medium-Range Weather Forecasts(ECMWF) ERA5 model and geometric approximation showed good agreement, with correlation coefficients of 0.93 and 0.98, respectively. To comprehend water vapor sources at various vertical layers, a 24-h backward trajectory clustering analysis was conducted using the HYSPLIT model based on observed wind fields. Findings revealed that at 500 m altitude, water vapor primarily emanated from the southeast, whereas at 1 km and 2 km altitudes, it predominantly originated from the southwest. The study advances simultaneous tropospheric aerosol and water vapor profile retrieval, providing reliable technical support for the investigation of regional pollution.

关键词： Aerosol and water vapor Profiles MAX-DOAS Parameterized look-up table method Minimum cost function

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Diosgenin attenuates nonalcoholic fatty liver disease through mTOR-mediated inhibition of lipid accumulation and inflammation

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CHEMICO-BIOLOGICAL INTERACTIONS 2025年 405卷 111306页

作者： Yin, Guoliang Liang, Hongyi Cheng, Yiran Chen, suwen Zhang, Xin Meng, Decheng Yu, Wenfei Liu, Hongshuai song, Chaoyuan Zhang, Fengxia Shandong Univ Tradit Chinese Med Jinan 250011 Peoples R China Shandong Univ Tradit Chinese Med Affiliated Hosp Dept Neurol Jinan 250011 Peoples R China Zibo Cent Hosp Dept Neurol Zibo 255000 Peoples R China

Excessive hepatic lipid accumulation and inflammatory injury are significant pathological manifestations of nonalcoholic fatty liver disease (NAFLD). Our previous research discovered that diosgenin, a natural steroidal saponin derived from Chinese herbs, can reduce hepatic lipid accumulation and steatosis;however, the exact mechanism remains unclear. This study aimed to investigate the protective mechanisms of diosgenin against NAFLD. We utilized network pharmacology and molecular docking approaches to identify the pathways through which diosgenin improves NAFLD. In high-fat diet (HFD)-fed rats, we measured biochemical markers in the serum and liver. Liver histopathology was assessed using HE and oil-red O staining. In free fatty acids (FFAs)induced HepG2 cells, we employed the cell transfection overexpression method to verify the regulatory relationship of the identified pathways. The mechanisms in vitro and in vivo were examined using quantitative polymerase chain reaction and Western blot analyses. Bioinformatics analysis indicated that the mTOR-FASN/ HIF-1 alpha/RELA/VEGFA pathway may be the target pathway for diosgenin in alleviating NAFLD. Diosgenin inhibited hepatic lipid accumulation and pro-inflammatory cytokines in HFD-fed rats, and reduced intracellular lipid accumulation as well as TG, TC, IL-1 beta, and TNF-alpha levels in FFAs-induced HepG2 cells. Mechanistically, diosgenin downregulated the expression of p-mTOR, FASN, HIF-1 alpha, RELA, and VEGFA, which are associated with lipid synthesis and inflammation. Overexpression of mTOR abolished the beneficial effects of diosgenin on lipid reduction and inflammation, as well as its inhibitory effects on the expression of FASN, HIF-1 alpha, RELA, and VEGFA. In conclusion, diosgenin alleviates NAFLD through mTOR-mediated inhibition of lipid accumulation and inflammation.

关键词： Diosgenin Nonalcoholic fatty liver disease Lipid accumulation Inflammation mTOR

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The Dual Role of Urban Vegetation: Trade-Offs Between Thermal Regulation and Biogenic Volatile Organic Compound Emissions

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ATMOSPHERE 2025年第4期16卷 385-385页

作者： Dong, Wen Ma, Danping Lin, song Ye, Shen Wang, suwen Shen, Li Chen, Dan Qiu, Yingying Yang, Bo Cheng, Tianliang Zhang, Jing Chen, Jian Ren, Yuan Zhejiang A&F Univ Sch Forestry & Biotechnol 666 Wusu St Hangzhou 311300 Zhejiang Peoples R China Zhejiang Univ Water Resources & Elect Power Sch Hydraul Engn Hangzhou 310018 Peoples R China Zhejiang Prov Publ Welf Forests & State Owned Fore Hangzhou 311300 Peoples R China Tianmushan Forest Ecosyst Orientat Observat & Res Hangzhou 311300 Peoples R China

Under the dual pressures of global warming and accelerated urbanization, urban green spaces (UGS) serve as crucial yet paradoxical elements, alleviating urban heat island (UHI) effects while emitting biogenic volatile organic compounds (BVOCs) that exacerbate air pollution;however, their spatial trade-offs remain underexplored. This study bridges this gap by developing an Urban Heat Mitigation Index (HMI) and a BVOC flux accounting framework integrating remote sensing and field observations. The results showed that (1) the cooling effect exhibits significant spatial heterogeneity, with continuous green networks around West Lake and along the Qiantang River forming efficient cooling corridors (HMI > 0.75), while fragmented green spaces in northeastern areas show weaker cooling effects (HMI < 0.35);(2) BVOC emission intensity displays a "high suburbs-low centers" pattern, with suburban areas emitting 1.9-2.3 times more BVOCs than urban centers, while BVOC-induced PM2.5 (0.02-0.05 mu g m(-3)) and O-3 (12-33 mu g m(-3)) concentrations in city centers still pose significant health risks;(3) spatial analysis reveals a weak positive correlation between HMI and BVOC emissions (Moran's I = 0.096, p < 0.05), with four distinct coupling patterns identified: "high cooling-low emissions" (17.5% of area), "low cooling-high emissions" (1.1%), "high cooling-high emissions" (18.7%), and "low cooling-low emissions" (3.9%). This study provides quantitative evidence for optimizing UGS layouts to balance ecological benefits and environmental risks, emphasizing the importance of vegetation screening and spatial allocation in sustainable urban planning.

关键词： heat island effect green space sustainable development ecosystem services trade-offs

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Crystal structure of a constitutive active mutant of adenosine A2A receptor

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IUCRJ 2022年第Pt 3期9卷 333-341页

作者： Cui, Min Zhou, Qingtong Xu, Yueming Weng, Yuan Yao, Deqiang Zhao, suwen song, Gaojie East China Normal Univ Inst Biomed Sci Shanghai Key Lab Regulatory Biol Shanghai 200241 Peoples R China East China Normal Univ Sch Life Sci Shanghai 200241 Peoples R China Fudan Univ Sch Basic Med Sci Dept Pharmacol Shanghai 200032 Peoples R China Shanghai Jiao Tong Univ Ren Ji Hosp Sch Med State Key Lab Oncogenes & Related Genes Shanghai 200127 Peoples R China ShanghaiTech Univ iHuman Inst Shanghai 201210 Peoples R China ShanghaiTech Univ Sch Life Sci & Technol Shanghai 201210 Peoples R China

The adenosine A(2A) receptor (A(2A)AR) is a prototypical member of the class A subfamily of G-protein-coupled receptors (GPCRs) that is widely distributed in various tissues and organs of the human body, and participates in many important signal-regulation processes. We have previously summarized a common activation pathway of class A GPCRs in which a series of conserved residues/motifs undergo conformational change during extracellular agonist binding and finally induce the coupling of intracellular G protein. Through this mechanism we have successfully predicted several novel constitutive active or inactive mutations for A(2A)AR. To reveal the molecular mechanism of mutation-induced constitutive activity, we determined the structure of a typical mutant I92N complexed with the agonist UK-432097. The mutated I92N forms a hydrophilic interaction network with nearby residues including Trp(6.48) of the CWxP motif, which is absent in wild-type A(2A)AR. Although the mutant structure is similar overall to the previously determined intermediate-state A(2A)AR structure (PDB ID 3qak) [Xu, Wu, Katritch, Han, Jacobson, Gao, Cherezov & Stevens (2011). Science, 332, 322-327], molecular dynamics simulations suggest that the I92N mutant stabilizes the metastable intermediate state through the hydrophilic interaction network and favors the conformational transition of the receptor towards the active state. This research provides a structural template towards the special pharmacological outcome triggered by conformational mutation and sheds light on future structural or pharmacological studies among class A GPCRs.

关键词： constitutive active mutants adenosine A(2A) receptors crystal structures hydrophilic interaction networks molecular dynamics G-protein-coupled receptors agonists

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Heterostructural Nanosheets Consisting of Polycyclic Aromatic Hydrocarbon Shields and Layered Perovskite Cores for Optical Image Encryption

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JOURNAL OF PHYSICAL CHEMISTRY LETTERS 2023年第8期14卷 2047-2055页

作者： Wang, Yanchen Liu, Jiaxin Wang, Aifei Gao, song Li, Zihao Li, Junjie Yan, Suhao Cheng, suwen song, Zhicheng Zhang, Yupeng Dong, Jingjin Cao, Jiupeng Wang, Fangfang Huang, Wei Qin, Tianshi Nanjing Tech Univ Key Lab Flexible Elect KLOFE Nanjing 211816 Jiangsu Peoples R China Nanjing Tech Univ Inst Adv Mat IAM Jiangsu Natl Synerget Innovat Ctr Adv Mat SICAM Nanjing 211816 Jiangsu Peoples R China

Optical image encryption technology, in which the emission on/off can be controlled by using specially appointed wavelengths, is useful in information storage and protection. Herein, we report a family of sandwiched heterostructural nanosheets, consisting of three-layered (n = 3) perovskite (PSK) frameworks in center with two different polycyclic aromatic hydrocarbons [triphenylene (Tp) and pyrene (Py)] in periphery. Both heterostructural nanosheets (Tp-PSK and Py-PSK) exhibit blue emissions under UVA-I irradiation;however, different photoluminescent properties are observed under UVA-II. A bright emission of Tp-PSK is attributed to the fluorescence resonance energy transfer (FRET) from Tp-shield to PSK-core, whereas the observed photoquenching phenomenon in Py-PSK is due to the competitive absorption between Py-shield and PSK-core. We exploited the unique photophysical features (on/off emission) of the two nanosheets in a narrow UV window (320-340 nm) for optical image encrypting.

关键词： Perovskite

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Triple-Phase Interface Engineering over an In2O3 Electrode to Boost Carbon Dioxide Electroreduction

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ACS APPLIED MATERIALS & INTERFACES 2022年第40期14卷 45423-45432页

作者： Wang, suwen Wu, Zhaohui Xu, Cui Jiang, Shuai Peng, Hui-Qing Zhang, Wenjun Liu, Bin song, Yu-Fei Beijing Univ Chem Technol Coll Chem Beijing Adv Innovat Ctr Soft Matter Sci & Engn State Key Lab Chem Resource Engn Beijing 100029 Peoples R China City Univ Hong Kong Ctr Super Diamond & Adv Films COSDAF Kowloon Hong Kong Peoples R China City Univ Hong Kong Dept Mat Sci & Engn Kowloon Hong Kong Peoples R China

The electrocatalytic reduction of CO2 is deemed to be a promising method to ease environmental and energy issues. However, achieving high efficiency and selectivity of CO2 electroreduction remains a bottleneck due to huge limitation of CO2 mass transfer and competition of hydrogen evolution reaction (HER) in aqueous solution. In this work, we propose to utilize triple-phase interface engineering over an In2O3 electrode to enhance its CO2 reduction reaction (CO2RR) performance. Notably, distinguishing from other research studies (doping, defect introduction, and heterojunction construction) that regulate the nature of In2O3-based catalysts themselves, we herein tune interfacial wettability of In2O3 using facile fluoropolymer coating for the first time. In contrast to the hydrophilic In2O3 electrode [Faraday efficiency (FE)(HCOOH) similar to 62.7% and FEH2 similar to 24.1% at -0.67 V versus RHE], the hydrophobic fluoropolymer (taking polyvinylidene fluoride as an example)-coated In2O3 electrode delivers a significantly enhanced FEHCOOH of 82.3% and a decreased FEH2 of 5.7% at the same potential. Upon combining contact angle measurements, density functional theory calculation, and ab initio molecular dynamics simulation, the enhanced CO2RR performance is revealed to be attributed to the rich triple-phase interfaces formed after fluoropolymer coating as an "aerophilic sponge", which increases the local concentration of CO2 near In2O3 active sites to improve CO2 reduction and meanwhile reduces the accessible water molecules to suppress competitive HER. This work presents a feasible approach for the enhanced selectivity of HCOOH yield over In2O3 by triple-phase interface engineering, which also provides a convenient and effective method for developing other materials used in gas-consumption reactions.

关键词： CO2 electroreduction triple-phase interface polymer coating water and CO2 diffusion theory calculation insight

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Synergistic Engineering of Electron-Enriched Nickel Sites for Highly Efficient Photocatalytic CO2 Reduction to C2H6

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ADVANCED FUNCTIONAL MATERIALS 2025年第6期35卷

作者： Xu, Cui Yu, Sha Zhang, Mengyang Zhan, Xinyue Jiang, Shuai Wang, suwen Liu, Guihao Ren, Jing Sun, Xiaoliang Wang, Yun Peng, Hui-Qing Liu, Bin Zhang, Wenjun song, Yu-Fei Beijing Univ Chem Technol State Key Lab Chem Resource Engn Beijing Adv Innovat Ctr Soft Matter Sci & Engn Coll Chem Beijing 100029 Peoples R China Griffith Univ Ctr Catalysis & Clean Energy Sch Environm & Sci Gold Coast Qld 4222 Australia City Univ Hong Kong Ctr Super Diamond & Adv Films COSDAF Kowloon Tat Chee Ave Hong Kong Peoples R China City Univ Hong Kong Dept Mat Sci & Engn Kowloon Tat Chee Ave Hong Kong Peoples R China

The production of multi-carbon compounds through CO2 photoreduction (CO2PR) holds great promise but faces challenges due to high kinetic barriers and the sluggish process of C-C coupling. Overcoming these obstacles requires fine engineering of active sites. In this study, Ni active sites are engineered through the synergistic effect of metal-oxo cluster (Mo7O246-) and hydroxyl vacancy (V-OH). In contrast to the Ni sites unmodified with Mo7O246- and V-OH, which are unable to produce multi-carbon products, the constructed electron-enriched Ni active sites exhibit an impressive selectivity of up to 43.02% and a high yield rate of 246.70 mu mol g(-1) h(-1) for C2H6, which represent one of the best results for CO2PR to C2H6. Through a comprehensive investigation involving operando experiments and theoretical simulations, hydroxyl vacancy and the formed Mo & horbar;O & horbar;Ni bonds is demonstrated due to the filling of hydroxyl vacancies with oxygen atoms from Mo7O246- synergistically constructed electron-rich Ni sites. Such Ni sites efficiently catalyze CO2 conversion to C2H6 by enhancing the adsorption of *CO, promoting subsequent hydrogenation, and enabling low energy barriers for CO2 hydrogenation to *OCOH and the coupling of *CH3 intermediates. This study provides deeper insights into the photocatalytic process, highlighting the significance of tailored active sites for efficient CO2 conversion.

关键词： active site engineering CO2 photoreduction mechanism study multi-carbon product vacancy and intercalation

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Cryo-EM structure of an activated GPR4-Gs signaling complex

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NATURE COMMUNICATIONS 2025年第1期16卷 1-10页

作者： Ma, Yitong Wang, Yijie Tang, Mengyuan Weng, Yuan Chen, Ying Xu, Yueming An, Shuxiao Wu, Yiran Zhao, suwen Xu, Huanhuan Li, Dali Liu, Mingyao Lu, Weiqiang Ru, Heng song, Gaojie East China Normal Univ Inst Biomed Sci Shanghai Frontiers Sci Ctr Genome Editing & Cell T Shanghai Key Lab Regulatory Biol Shanghai Peoples R China East China Normal Univ Sch Life Sci Shanghai Peoples R China Zhejiang Univ Affiliated Hosp 2 Life Sci Inst Sch MedZhejiang Prov Key Lab Canc Mol Cell Biol Hangzhou Zhejiang Peoples R China ShanghaiTech Univ iHuman Inst Shanghai Peoples R China ShanghaiTech Univ Sch Life Sci & Technol Shanghai Peoples R China Yunnan Agr Univ Coll Sci Kunming Peoples R China

G protein-coupled receptor 4 (GPR4) belongs to the subfamily of proton-sensing GPCRs (psGPCRs), which detect pH changes in extracellular environment and regulate diverse physiological responses. GPR4 was found to be overactivated in acidic tumor microenvironment as well as inflammation sites, with a triad of acidic residues within the transmembrane domain identified as crucial for proton sensing. However, the 3D structure remains unknown, and the roles of other conserved residues within psGPCRs are not well understood. Here we report cryo-electron microscopy (cryo-EM) structures of active zebrafish GPR4 at both pH 6.5 and 8.5, each highlighting a distribution of histidine and acidic residues at the extracellular region. Cell-based assays show that these ionizable residues moderately influence the proton-sensing capacity of zebrafish GPR4, compared to the more significant effects of the triad residues. Furthermore, we reveal a cluster of aromatic residues within the orthosteric pocket that may propagate the signaling to the intercellular region via repacking the aromatic patch at the central region. This study provides a framework for future signaling and functional investigation of psGPCRs.

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