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Amino acids modified nanoscale zero-valent iron:Density functional theory calculations,experimental synthesis and application in the Fenton-like degradation of organic solvents

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Journal of Environmental Sciences 2024年第1期135卷 296-309页

作者： Xingchen Yang Fucheng Ming Jianlong Wang Lejin Xu Department of Nuclear Engineering and Technology School of Energy and Power EngineeringHuazhong University of Science and TechnologyWuhan 430074China China-EU institute for Clean and Renewable energy Huazhong University of Science and TechnologyWuhan 430074China institute of Nuclear and New energy Technology Key Laboratory of Advanced Reactor Engineering and Safety of Ministry of EducationTsinghua UniversityBeijing 100084China Beijing Key Laboratory of Radioactive Wastes Treatment Tsinghua UniversityBeijing 100084China

To improve the adsorption and catalytic performance of heterogeneous Fenton-like catalysts for oil wastes,amino acids were used to modify nanoscale zero-valent iron(AA@Fe^(0)),which were applied in the Fenton-like degradation of organic solvents(tributyl phosphate and n-dodecane,named TBP and DD).Twelve amino acids,i.e.,glycine(Gly),alanine(Ala),leucine(Leu),proline(Pro),phenylalanine(Phe),methionine(Met),cysteine(Cys),asparagine(Asn),serine(Ser),glutamic acid(Glu),lysine(Lys)and arginine(Arg),were selected and calculated by density functional theory(DFT).The optimized structure,charge distribution,the highest occupied molecular orbital(HOMO),the lowest unoccupied molecular orbital(LUMO),interaction region indicator(IRI)isosurface map and adsorption energy of AA@Fe^(0),AA@Fe^(0)-TBP and AA@Fe^(0)-DD were studied,which indicated that Fe is more likely to approach and charge transfer with-COO and-NH_(3) on theα-carbon of amino acids.There is strong attraction between Fe and–COO,and Van der Waals force between Fe and-NH_(3),respectively.In the interaction of AA@Fe^(0)with TBP and DD,Van der Waal force plays an important role.AA@Fe^(0)was synthesized in laboratory and characterized to investigate physicochemical properties.In Fenton-like degradation of organic solvents,the change of COD in water phase during the degradation process as well as the volume of the organic phase after the reaction were investigated.The results of calculations combined with experiments showed that Ser-modified Fe^(0)performed the best in these amino acids,with 98%removal of organic solvents.A possible catalytic mechanism was proposed in which amino acids acted a linking role between Fe and organic solvents,activating H_(2)O_(2)to generate hydroxyl radicals for the degradation of organic solvents.

关键词： Amino acids Nanoscale zero-valent iron Density functional theory Organic solvents Fenton-like degradation

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Transfer-free chemical vapor deposition graphene for nitride epitaxy: challenges, current status and future outlook

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Science China Chemistry 2024年第3期67卷 824-840页

作者： Xiang Gao Senlin Li Jingfeng Bi Kaixuan Zhou Meng Li Zhongfan Liu Jingyu Sun College of energy Soochow Institute for Energy and Materials InnovationsSUDA-BGI Collaborative Innovation CenterKey Laboratory of Advanced Carbon Materials and Wearable Energy Technologies of Jiangsu ProvinceSoochow UniversitySuzhou 215006China Beijing Graphene institute Beijing 100095China Xiamen Silan Advanced Compound Semiconductor Co.Ltd. Xiamen 361026China

Graphene, a two-dimensional material with outstanding electrical and mechanical properties, has attracted considerable attention in the field of semiconductor technologies due to its potential use as a buffer layer for the epitaxial Ⅲ-nitride growth. In recent years, significant progress has been made in the chemical vapor deposition growth of graphene on various insulating substrates for the nitride epitaxy, which offers a facile, inexpensive, and easily scalable methodology. However, certain challenges are still present in the form of producing high-quality graphene and achieving optimal interface compatibility with Ⅲ-nitride materials.In this review, we provide an overview of the bottlenecks associated with the transferred graphene fabrication techniques and the state-of-the-art techniques for the transfer-free graphene growth. The present contribution highlights the current progress in the transfer-free graphene growth on different insulating substrates, including sapphire, quartz, SiO_(2)/Si, and discusses the potential applications of transfer-free graphene in the Ⅲ-nitride epitaxy. Finally, it includes the prospects of the transfer-free graphene growth for the Ⅲ-nitride epitaxy and the challenges that should be overcome to realize its full potential in this field.

关键词： Transfer-free chemical vapor deposition graphene for nitride epitaxy challenges current status and future outlook graphene

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Multi-scale collaborative design method for macroscopic thermal optimization and mesoscopic woven structure of hypersonic vehicle's TOCMC leading edge

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Chinese Journal of Aeronautics 2024年第4期37卷 524-541页

作者： Chenwei ZHAO Zecan TU Junkui MAO Jian HUI Pingting CHEN College of energy and Power Engineering Nanjing University of Aeronautics and AstronauticsNanjing 21016China Integrated energy institute Nanjing University of Aeronautics and AstronauticsNanjing 210016China

A new thermal protection design method for hypersonic vehicle's leading edge is proposed, which can effectively reduce temperature of the leading edge without additional cooling measures. This method reduces the leading-edge's temperature by the multi-scale collaborative design of the macroscopic thermal optimization and the mesoscopic woven structures of Three-dimensional Orthogonal Woven Ceramic Matrix Composites(TOCMC). The macroscopic thermal optimization is achieved by designing different mesoscopic woven structures in different regions to create combined heat transfer channels to dredge the heat. The combined heat transfer channel is macroscopically represented by the anisotropic thermal conductivity of TOCMC. The thermal optimization multiple linear regression model is established to optimize the heat transport channel, which predicts Theoretical Optimal Thermal Conductivity Configuration(TOTCC) in different regions to achieve the lowest leading-edge temperature. The function-oriented mesostructure design method is invented to design the corresponding mesostructure of TOCMC according to the TOTCC, which consists of universal thermal conductivity prediction formulas for TOCMC. These universal formulas are firstly derived based on the thermal resistance network method, which is verified by experiments with an error of 6.25%. The results show that the collaborative design method can effectively reduce the leading edge temperature by about 12.8% without adding cooling measures.

关键词： Multi-scale collaborative design Thermal optimization Ceramic matrix composite Hypersonic vehicle Thermal protection Intelligent optimization

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Impact of lifestyle interventions on pathogenesis of nonalcoholic fatty liver disease

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World Journal of Gastroenterology 2024年第20期30卷 2633-2637页

作者： Wafaa Mohamed Ezzat Department of Internal Medicine Medical Research and Clinical Studies InstituteNational Research CenterGiza 12311Egypt

This editorial builds on the article titled“Establishment and validation of an adherence prediction system for lifestyle interventions in non-alcoholic fatty liver disease”by Zeng et al.We carried out a critical examination of nonalcoholic fatty liver disease(NAFLD)pathogenesis and how lifestyle interventions could facilitate disease resolution,particularly highlighting that non-alcoholic steatohepatitis(NASH)is a severe form of NAFLD.Our discussion details that weight loss is a pivotal factor in disease outcomes:A 3%-5%reduction is enough for resolution in 50%of non-obese individuals,while a 7%-10%reduction achieves similar benefits in obese individuals,as demonstrated by magnetic resonance spectroscopy.Additionally,the editorial underscores that such lifestyle changes are instrumental not only in resolving NAFLD but also in reversing hepatic steatosis and inflammation.These insights,derived from the research,emphasize the critical role of personalized lifestyle modifications in halting the progression of NAFLD to NASH and even reversing fibrosis,thus offering a template for effective patient management.

关键词： Nonalcoholic fatty liver disease Non-alcoholic steatohepatitis Diet Physical activity Life style

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Three-dimensionally ordered macroporous(3DOM) structure promoted the activity and H_(2)O poisoning resistance of Ce Mn/3DOM-TiO_(2) catalyst in NH_(3)-SCR

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Journal of Rare Earths 2024年第3期42卷 523-533,I0004页

作者： Yaqin Hu Shipeng Ding Chenchen Tan Peng Wu Guobo Li Sheng Wang Hongqiang Yang Yaping Zhang Key Laboratory of energy Thermal Conversion and Control of Ministry of Education School of Energy and EnvironmentSoutheast UniversityNanjing210096China State Power Environmental Protection Research institute Nanjing210031China

NH_(3)-SCR is an effective mean of NOxremoval in the non-electric industry, however, the high activation temperature and poor H_(2)O resistance of SCR catalysts posed a barrier to its application. In this work, a series of three-dimensionally ordered macroporous(3DOM) catalysts were synthesized via a colloidal crystal template(CCT) method, and various characterizations were carried out to explore the physicochemical property of catalysts. The experiment results reveal that Ce_(0.2)Mn_(0.2)/3DOM-TiO_(2) catalyst presents the excellent low-temperature catalytic activity of nearly 100% at 100℃. Furthermore, the enhanced H_(2)O resistance is achieved, certified by the unaffected NO remove at 150℃ in the participation of 15 vol% H_(2)O. The characterizations results exhibit that the improved dispersion of the active component and enhanced redox ability are conducive to the low-temperature catalytic activity. N_(2) adsorption and desorption experiments indicate that catalyst with 3DOM support possesses a larger pore diameter and specific surface area, which may weaken the condensation of H_(2)O in the microporosity of catalysts and improved the H_(2)O resistance of the catalyst. In situ DRIFTS results manifest that Ce_(0.2)Mn_(0.2)/3DOM-TiO_(2) catalyst could not only absorb more NH_(3) and generate more surface-active sites, but inhibit the competitive adsorption between H_(2)O and SCR reactants.

关键词： 3DOM material NH_(3)-SCR H_(2)O resistance Low-temperature Cerium Rare earths

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Biomass-derived porous carbon with single-atomic cobalt toward high-performance aqueous zinc-sulfur batteries at room temperature

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Journal of energy Chemistry 2024年第8期95卷 325-335页

作者： Shenfei Zhao Xiaoshuai Wu Jiliang Zhang Chunjie Li Zixiang Cui Weihua Hu Ruguang Ma Changming Li institute for Clean energy & Advanced Materials School of Materials & Energy Southwest University institute for Materials Science and Devices School of Materials Science and Engineering Suzhou University of Science and Technology School of Materials Science and Engineering Dalian Jiaotong University

Aqueous zinc-sulfur batteries at room temperature hold great potential for next-generation energy storage technology due to their low cost, safety and high energy density. However, slow reaction kinetics and high activation energy at the sulfur cathode pose great challenges for the practical applications. Herein,biomass-derived carbon with single-atomic cobalt sites（MMPC-Co） is synthesized as the cathode in Zn-S batteries. The catalysis of single-atom Co sites greatly promotes the transform of cathode electrolyte interface（CEI） on the cathode surface, while offering accelerated charge transfer rate for high conversion reversibility and large electrochemical surface area（ECSA） for high electrocatalytic current. Furthermore,the rich pore structure not only physically limits sulfur loss, but also accelerates the transport of zinc ions.In addition, the large pore volume of MMPC-Co is able to relieve the stress effect caused by the volume expansion of Zn S during charge/discharge cycles, thereby maintaining the stability of electrode structure.Consequently, the sulfur cathode maintains a high specific capacity of 729.96 m A h g-1after 500 cycles at4 A g-1, which is much better than most cathode materials reported in the literature. This work provides new insights into the design and development of room-temperature aqueous Zn-S batteries.

关键词： Aqueous zinc-sulfur batteries Biomass-derived carbon Rich pore structure Single-atom catalysts Sulfur cathode

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Hybrid Network Model Based on Data Enhancement for Short-term Power Prediction of New PV Plants

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Journal of Modern Power Systems and Clean energy 2024年第1期12卷 77-88页

作者： Shangpeng Zhong Xiaoming Wang Bin Xu Hongbin Wu Ming Ding the Anhui Province Key Laboratory of Renewable energy Utilization and energy Saving Hefei University of TechnologyHefei 230009China the State Grid Anhui Electric Power Research institute Hefei 230061China

This study proposes a hybrid network model based on data enhancement to address the problem of low accuracy in photovoltaic(PV)power prediction that arises due to insuffi cient data samples for new PV plants.First,a time-series gener ative adversarial network(TimeGAN)is used to learn the distri bution law of the original PV data samples and the temporal correlations between their features,and these are then used to generate new samples to enhance the training set.Subsequently,a hybrid network model that fuses bi-directional long-short term memory(BiLSTM)network with attention mechanism(AM)in the framework of deep&cross network(DCN)is con structed to effectively extract deep information from the origi nal features while enhancing the impact of important informa tion on the prediction results.Finally,the hyperparameters in the hybrid network model are optimized using the whale optimi zation algorithm(WOA),which prevents the network model from falling into a local optimum and gives the best prediction results.The simulation results show that after data enhance ment by TimeGAN,the hybrid prediction model proposed in this paper can effectively improve the accuracy of short-term PV power prediction and has wide applicability.

关键词： New photovoltaic(PV)plant short-term predic tion time-series generative adversarial network(TimeGAN) hy brid network hyperparameter

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Optimal Scheduling of Regional Integrated energy Systems Considering Hybrid Demand Response

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CSEE Journal of Power and energy Systems 2024年第3期10卷 1208-1219页

作者： Ganyun Lyu Bin Cao Dexiang Jia Nan Wang Jun Li Guangyu Chen Department of Electrical Engineering Nanjing Institute of TechnologyNanjing 211167China State Grid energy Research institute Co. LTDBeijing 102209China State Grid Integrated energy Service Group Co. LTDBeijing 100032China IEEE CSEE

Flexible load can optimize the load curve,which is an important means to promote renewable energy consumption.The peculiarities of electricity,heat,cooling and gas loads are analyzed in this paper,considering the fuzzy degree of human perception for water temperature,and the characteristic model of hot water load is established.Considering the fuzzy degree of human perception of ambient temperature,the characteristic model of cooling load is established by using PMV and PPD index.Meanwhile,considering four combinations of cut load,translatable load,transferable load and alternative load,and considering the coupling relationship of composite parts,different response models of load are established respectively.With the minimum cost of the system,including operation and compensation costs as the objective function,the optimization scheduling model of the regional integrated energy system is established,and the Gurobi solver is used for simulation analysis to solve the optimal output and load response curve of each piece of equipment.The results show that the load curve can be optimized,the flexible regulation ability of the regional integrated energy system can be enhanced,the energy loss of the system can be reduced,and the wind power consumption ability of the system can be increased by considering the integrated demand response.

关键词： Alternative load day ahead optimal scheduling integrated demand response PMV and PPD index regional integrated energy system

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Visible-light-activated aziridination reaction enables simultaneous resolving of C=C bond location and the sn-position isomers in lipids

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Chinese Chemical Letters 2024年第4期35卷 481-485页

作者： Qiongqiong Wan Yanan Xiao Guifang Feng Xin Dong Wenjing Nie Ming Gao Qingtao Meng Suming Chen The institute for Advanced studies Renmin Hospital of Wuhan UniversityWuhan UniversityWuhan 430072China

There is a close relationship between the biological functions of lipids and their structures, and various isomers greatly increases the complexity of lipid structures. The C=C bond location and sn-position are two of the essential attributes that determine the structures of unsaturated lipids. However, simultaneous identification of both attributes remains challenging. Here, we develop a visible-light-activated aziridination reaction system, which enables the dual-resolving of the C=C bond location and sn-position isomerism of in lipids when combines with liquid chromatography-mass spectrometry(LC-MS). Based on the derivatization of C=C bonds with Ph I=NTs, their location in lipids could be easily identified by tandem MS. Especially, the sn-position isomers of unsaturated phosphatidylcholine(PC) can be separated and quantified by LC-MS after the derivatization. By using the proposed method, the significant changes of the sn-position isomers ratios of PC in mouse brain ischemia were revealed. This study offers a powerful tool for deep lipid structural biology.

关键词： Aziridination Lipid isomers C=C bond location sn-Position Mass spectrometry

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Experimental Investigation and X-Ray Computed Microtomography Simulation on Thermal Physical Properties of Foundation Materials after Molten Salt Leakage in the Storage Tank

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Journal of Thermal Science 2024年第2期33卷 591-601页

作者： WANG Zhaowen ZHOU Hao LUO Jiawei LI Yawei FANG Hao LIU Tianxiao State Key Laboratory of Clean energy Utilization Institute for Thermal Power EngineeringZhejiang UniversityHangzhou310027China

This paper studied the thermal physical properties of foundation materials in the molten salt tank of thermal energy storage system after molten salt leakage by Transient plane source experiment and X-ray computed microtomography simulation methods.The microstructure,thermal properties and pressure resistance with different particle diameters were addressed.The measured heat conductivities from Transient plane source experiment for three cases are 0.49 W/(m·K),0.48 W/(m·K),and 0.51 W/(m·K),and the porosity is 30.1%,30.7%,and 31.2% respectively.The heat conductivity simulating results of three cases are 0.471 W/(m·K),0.482W/(m·K),and 0.513 W/(m·K).The ratio of difference between the results of simulation and Transient plane source measurement is as low as 1.2%,verifying the reliability of experimental and simulation results to a certain degree.Compared with the heat conductivity of 0.097-0.129 W/(m·K) and porosity of 71.6%-78.9% without leaking salt,the porosity is reduced by more than 50% while the heat conductivity increased by 4 to 5 times after molten salt leakage.This significant increase in heat conductivity has a great impact on security operation,structure design,and modeling of the tank foundation for solar power plants.

关键词： heat conductivity X-ray computed microtomography foundation materials three-phase threshold algorithm molten salt leakage

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