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Boosted urea electro-oxidation over Ni_(3)N-based nanocomposite via systematic regulation tactic

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Journal of Energy Chemistry 2023年第12期87卷 479-490,I0013页

作者： Ping Li yuqi huang Quhua huang Wenqin Li Shuanghong Tian School of Environmental Science and Engineering Sun Yat-sen UniversityGuangzhou 510275GuangdongChina Guangdong Provincial Key Laboratory of Environmental Pollution Control and Remediation Technology Guangzhou 510275GuangdongChina

Exploiting high-efficiency Ni-based materials for electrocatalytic urea oxidation reaction(UOR) is critical for urea-related technologies.The catalytic site density,intrinsic activity,charge transfer,and mass diffusion determine overall electrocatalytic efficiency.Simultaneous modulation over the above four factors promises advanced electrocatalysis,yet challenging.Herein we propose a systematic regulation tactic over composition and geometric structure,constructing a nanocomposite comprising Mn doped Ni_(3)N nanoparticles anchored on reduced graphene oxide(rGO/Mn-Ni_(3)N),achieving elegant integration of four design principles into one,thereby eminently boosting UOR.Particularly,Mn doping in Ni_(3)N can modulate electronic state to induce intrinsic activity regulation.Combining metallic Mn-Ni_(3)N with rGO to engineer hierarchical architecture not only promotes charge transfer,but also enriches active site population.Intriguingly,improved hydrophilicity could impart better electrolyte penetration and gas escape.Consequently,such system-optimized rGO/Mn-Ni_(3)N demonstrates state-of-the-art-level UOR electrocatalysis.This work offers a novel paradigm to create advanced catalysts via systematic and integrated modulation.

关键词： Ni_(3)N Geometric structure Composition engineering Systematic regulation Urea oxidation

Anomalous metastable hcp Ni nanocatalyst induced by non-metal N doping enables promoted ammonia borane dehydrogenation

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Journal of Energy Chemistry 2023年第4期79卷 72-82页

作者： Ping Li yuqi huang Quhua huang Ran Chen Jixin Li Shuanghong Tian School of Environmental Science and Engineering Sun Yat-sen UniversityGuangzhou 510275GuangdongChina Guangdong Provincial Key Laboratory of Environmental Pollution Control and Remediation Technology Guangzhou 510275GuangdongChina

Developing high-performing non-noble transition metal catalysts for H_(2) evolution from chemical hydrogen storage materials is of great significance for the hydrogen economy system, yet challenging. Herein,we present for the first time that anomalous metastable hexagonal close-packed Ni nanoparticles induced by heteroatom N doping encapsulated in carbon(N-hcp-Ni/C) can exhibit admirable catalytic performance for ammonia borane(AB) dehydrogenation, prominently outperforming conventional fcc Ni counterpart with similar morphology and favorably presenting the state-of-the-art level.Comprehensive experimental and theoretical studies unravel that unusual hcp phase engineering of Ni together with N doping could induce charge redistribution and modulate electronic structure, thereby facilitating H_(2)O adsorption and expediting H_(2)O dissociation(rate-determining step). As a result, AB dehydrogenation can be substantially boosted with the assistance of N-hcp-Ni/C. Our proposed strategy highlights that unconventional crystal phase engineering coupled with non-metal heteroatom doping is a promising avenue to construct advanced transition metal catalysts for future renewable energy technologies.

关键词： Hcp Ni Non-metal doping Phase engineering Electronic regulation Ammonia borane dehydrogenation

Drug repurposing for cancer treatment through global propagation with a greedy algorithm in a multilayer network

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Cancer Biology & Medicine 2022年第1期19卷 74-89页

作者： Xi Cheng Wensi Zhao Mengdi Zhu Bo Wang Xuege Wang Xiaoyun Yang yuqi huang Minjia Tan Jing Li Department of Bioinformatics and Biostatistics School of Life Sciences and BiotechnologyShanghai Jiao Tong UniversityShanghai 200240China The Chemical Proteomics Center and State Key Laboratory of Drug Research Shanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China University of Chinese Academy of Sciences Beijing 100049China Key Laboratory of Tissue Microenvironment and Tumor Shanghai Institute of Nutrition and HealthShanghai Institutes for Biological SciencesUniversity of Chinese Academy of SciencesChinese Academy of Sciences(CAS)Shanghai 200031China

Objective:Drug repurposing,the application of existing therapeutics to new indications,holds promise in achieving rapid clinical effects at a much lower cost than that of de novo drug development.The aim of our study was to perform a more comprehensive drug repurposing prediction of diseases,particularly cancers.Methods:Here,by targeting 4,096 human diseases,including 384 cancers,we propose a greedy computational model based on a heterogeneous multilayer network for the repurposing of 1,419 existing drugs in Drug Bank.We performed additional experimental validation for the dominant repurposed drugs in cancer.Results:The overall performance of the model was well supported by cross-validation and literature mining.Focusing on the top-ranked repurposed drugs in cancers,we verified the anticancer effects of 5 repurposed drugs widely used clinically in drug sensitivity experiments.Because of the distinctive antitumor effects of nifedipine(an antihypertensive agent)and nortriptyline(an antidepressant drug)in prostate cancer,we further explored their underlying mechanisms by using quantitative proteomics.Our analysis revealed that both nifedipine and nortriptyline affected the cancer-related pathways of DNA replication,the cell cycle,and RNA transport.Moreover,in vivo experiments demonstrated that nifedipine and nortriptyline significantly inhibited the growth of prostate tumors in a xenograft model.Conclusions:Our predicted results,which have been released in a public database named The Predictive Database for Drug Repurposing(PAD),provide an informative resource for discovering and ranking drugs that may potentially be repurposed for cancer treatment and determining new therapeutic effects of existing drugs.

关键词： Database drug repurposing machine learning network random walk proteomics analysis

Separation of light hydrocarbons with ionic liquids: A review

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Chinese Journal of Chemical Engineering 2019年第6期27卷 1374-1382页

作者： yuqi huang Yuanbin Zhang Huabin Xing College of Chemical and Biological Engineering Zhejiang University

Light hydrocarbons(C1–C4) are fundamental raw materials in the petroleum and chemical industry. Separation and purification of structurally similar paraffin/olefin/alkyne mixtures are important for the production of highpurity or even polymer-grade light hydrocarbons. However, traditional methods such as cryogenic distillation and solvent absorption are energy-intensive and environmentally unfriendly processes. Ionic liquids(ILs) as a new alternative to organic solvents have been proposed as promising green media for light hydrocarbon separation due to their unique tunable structures and physicochemical properties resulting from the variations of the cations and anions such as low volatility, high thermal stability, large liquidus range, good miscibility with light hydrocarbons, excellent molecular recognition ability and adjustable hydrophylicity/hydrophobicity. In this review, the recent progresses on the light hydrocarbon separation using ILs are summarized, and some parameters of ILs that influence the separation performance are discussed.

关键词： Ionic liquids Hydrocarbons Absorption Sepatation Solubility

Discovery of novel phosphodiesterase-1 inhibitors for curing vascular dementia:Suppression of neuroinflammation by blocking NF-κB transcription regulation and activating cAMP/CREB axis

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Acta Pharmaceutica Sinica B 2023年第3期13卷 1180-1191页

作者： Qian Zhou Meiling Le Yiyi Yang Wenjuan Wang yuqi huang Quan Wang Yijing Tian Meiyan Jiang Yong Rao Hai-Bin Luo Yinuo Wu School of Pharmaceutical Sciences Sun Yat-sen UniversityGuangzhou 510006China Key Laboratory of Tropical Biological Resources of Ministry of Education and One Health Institute School of Pharmaceutical SciencesHainan UniversityHaikou 570228China Song Li’Academician Workstation of Hainan University(School of Pharmaceutical Sciences) Sanya 572000China

Vascular dementia(VaD)is the second commonest type of dementia which lacks of efficient treatments currently.Neuroinflammation as a prominent pathological feature of VaD,is highly involved in the development of VaD.In order to verify the therapeutic potential of PDE1 inhibitors against VaD,the anti-neuroinflammation,memory and cognitive improvement were evaluated in vitro and in vivo by a potent and selective PDE1 inhibitor 4a.Also,the mechanism of 4a in ameliorating neuroinflammation and VaD was systematically explored.Furthermore,to optimize the drug-like properties of 4a,especially for metabolic stability,15 derivatives were designed and synthesized.As a result,candidate 5f,with a potent IC50 value of 4.5 nmol/L against PDE1C,high selectivity over PDEs,and remarkable metabolic stability,efficiently ameliorated neuron degeneration,cognition and memory impairment in VaD mice model by suppressing NF-κB transcription regulation and activating cAMP/CREB axis.These results further identified PDE1 inhibition could serve as a new therapeutic strategy for treatment of VaD.

关键词： Vascular dementia Phosphodiesterase 1(PDE1) Neuroinflammation Structural-based drug design cAMP/CREB axis

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三元锂电池热失控射流可视化及速度场测试

化工进展 2024年第2期43卷 703-712页

作者：刘昊东张鹏飞黄钰期浙江大学能源工程学院浙江杭州310027

三元锂电池在电动汽车领域得到了越来越广泛的应用。对电池发生热失控时的喷阀射流速度场开展研究,将有助于反推热失控过程中电池内部的临界压力及压力变化,对辅助优化电池设计、准确预测火焰传播等具有重要意义。但是,锂电池在热失控... 详细信息

三元锂电池在电动汽车领域得到了越来越广泛的应用。对电池发生热失控时的喷阀射流速度场开展研究,将有助于反推热失控过程中电池内部的临界压力及压力变化,对辅助优化电池设计、准确预测火焰传播等具有重要意义。但是,锂电池在热失控过程中往往存在两次喷射,喷射产物不仅包括电池内的化学反应产气、电解液蒸发等,还包含部分颗粒和电池内部各部件的碎片等;此外,蒸发后的电解液也会在遇冷后凝结,使整个喷阀射流过程呈现气-液-固三相混合状态,提高了速度场辨识与测试的难度。因此,为实现在高温情况下喷阀射流的可视化及速度场辨识计算,本研究搭建了主要由高速相机、激光系统和电池防爆箱组成的实验台架,采用高速相机对电池热失控射流过程进行拍摄及处理。首先对流场流态开展初步分析;然后通过自适应滤波算法,有效降低成像时噪声的影响,并增强液滴的边缘细节信息;同时利用直方图均衡化进一步提高图像的对比度;最后,采用基于亚像素精度插值的互相关算法对喷射流场的速度场进行分析计算,得到了不同时刻的二维平面下的速度场数据,并进一步对不同时刻不同区域的速度特性进行了分析,为后续电池热失控机理研究和电池安全性能提升工作提供了基础。

关键词：成像电解液两相流图像预处理速度场

振动及加热壁面条件下的近壁空泡溃灭可视化研究

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内燃机工程 2024年第2期45卷 102-108页

作者：吴焱张鹏飞黄钰期浙江大学动力机械及车辆工程研究所杭州310027

采用低压电火花生成空泡的方式系统研究了复杂壁面条件下的近壁空泡溃灭行为。通过不同类型振动壁面及不同温度壁面附近的空泡溃灭行为的可视化试验,发现壁面振动对空泡溃灭有促进作用,空泡溃缩过程更快,体积变化更显著。不同类型壁面... 详细信息

采用低压电火花生成空泡的方式系统研究了复杂壁面条件下的近壁空泡溃灭行为。通过不同类型振动壁面及不同温度壁面附近的空泡溃灭行为的可视化试验,发现壁面振动对空泡溃灭有促进作用,空泡溃缩过程更快,体积变化更显著。不同类型壁面对空泡溃灭过程的影响不同,柱形壁面相较于球形壁面,近壁的空泡形态较不规则,溃灭呈现整体塌陷的趋势,在反弹阶段会形成不规则的空泡云。壁面升温会使得近壁空泡产生明显趋向于壁面的溃灭行为,并伴随多次空化的现象,这会对壁面造成严重损伤。

关键词：空化振动壁面加热壁面射流溃灭

Integrative multi-omics and drug-response characterization of patient-derived prostate cancer primary cells

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Signal Transduction and Targeted Therapy 2023年第6期8卷 3013-3028页

作者： Ziruoyu Wang Yanan Li Wensi Zhao Shuai Jiang yuqi huang Jun Hou Xuelu Zhang Zhaoyu Zhai Chen Yang Jiaqi Wang Jiying Zhu Jianbo Pan Wei Jiang Zengxia Li Mingliang Ye Minjia Tan Haowen Jiang Yongjun Dang Key Laboratory of Metabolism and Molecular Medicine The Ministry of EducationDepartment of Biochemistry and Molecular BiologySchool of Basic Medical SciencesShanghai Medical CollegeFudan University200032ShanghaiChina CAS Key Lab of Separation Sciences for Analytical Chemistry National Chromatographic Research and Analysis CenterDalian Institute of Chemical PhysicsChinese Academy of Sciences116023DalianChina The Chemical Proteomics Center and State Key Laboratory of Drug Research Shanghai Institute of Materia MedicaChinese Academy of Sciences201203ShanghaiChina University of Chinese Academy of Sciences 100049BeijingChina Department of Urology Zhongshan HospitalFudan University200032ShanghaiChina Department of Urology Zhongshan Hospital Wusong BranchFudan University200032ShanghaiChina Center for Novel Target and Therapeutic Intervention Chongqing Medical University400016ChongqingChina Department of Urology Huashan HospitalFudan University200040ShanghaiChina

Prostate cancer(PCa)is the second most prevalent malignancy in males across the world.A greater knowledge of the relationship between protein abundance and drug responses would benefit precision treatment for PCa.Herein,we establish 35 Chinese PCa primary cell models to capture specific characteristics among PCa patients,including gene mutations,mRNA/protein/surface protein distributions,and pharmaceutical responses.The multi-omics analyses identify Anterior Gradient 2(AGR2)as a pre-operative prognostic biomarker in PCa.Through the drug library screening,we describe crizotinib as a selective compound for malignant PCa primary cells.We further perform the pharmacoproteome analysis and identify 14,372 significant protein-drug correlations.Surprisingly,the diminished AGR2 enhances the inhibition activity of crizotinib via ALK/c-MET-AKT axis activation which is validated by PC3 and xenograft model.Our integrated multi-omics approach yields a comprehensive understanding of PCa biomarkers and pharmacological responses,allowing for more precise diagnosis and therapies.

关键词： drug PC3 diagnosis operative

Study of the automotive aerodynamic performance affected by entrance structure of forecabin

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能源与人工环境(英文)

能源与人工环境(英文) 2021年第3期2卷 327-335页

作者： yuqi huang Shun Wang Yuan Ji Zhentao Liu Power Machinery&Vehicular Engineering Institute Zhejiang UniversityHangzhou 310027China

Recently,the requirement for cooling capacity decreased when the driving energy changed from liquid fuel to lithium batteries.Therefore,the structure and location of the forecabin could be adjusted based on the aerody-namic performance.The current study conducted a significant number of simulations in order to find out the effects of the internal flow through forecabin in an Ahmed body.The following conclusions have been identi-fied:1,The flow through the forecabin would always increase the resistance of the entire body,and the drag coefficient increases,on average,by approximately 85%.2,When the aspect ratio is higher or the position of the inlet opening is lower,the total drag coefficient is lower due to a weaker vortex strength,a simpler vortex structure and a relatively simple flow.3,The existence of the forecabin will largely increase the oscillation fre-quency of the flow field by approximately 15 times compared to the original Ahmed model.Finally,the high drag coefficient moment always appears to be due to the formation of more complex or intense vortex motion.These conclusions can offer useful results and references for the structural design of the front cabin for new energy vehicles.

关键词： Ahmed body Forecabin Drag coefficient CFD