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Effects of Maillard reaction and its product AGEs on aging and age-related diseases
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作者 Huan Peng Yuqi Gao +4 位作者 Chenye Zeng Rui Hua Yannan Guo Yida Wang Zhao Wang 《Food Science and Human Wellness》 SCIE CSCD 2024年第3期1118-1134,共17页
Maillard reaction(MR)is a non-enzymatic browning reaction commonly seen in food processing,which occurs between reducing sugars and compounds with amino groups.Despite certain advantages based on Maillard reaction pro... Maillard reaction(MR)is a non-enzymatic browning reaction commonly seen in food processing,which occurs between reducing sugars and compounds with amino groups.Despite certain advantages based on Maillard reaction products(MRPs)found in some food for health and storage application have appeared,however,the MR occurring in human physiological environment can produce advanced glycation end products(AGEs)by non-enzymatic modification of macromolecules such as proteins,lipids and nucleic acid,which could change the structure and functional activity of the molecules themselves.In this review,we take AGEs as our main object,on the one hand,discuss physiologic aging,that is,age-dependent covalent cross-linking and modification of proteins such as collagen that occur in eyes and skin containing connective tissue.On the other hand,pathological aging associated with autoimmune and inflammatory diseases,neurodegenerative diseases,diabetes and diabetic nephropathy,cardiovascular diseases and bone degenerative diseases have been mainly proposed.Based on the series of adverse effects of accelerated aging and disease pathologies caused by MRPs,the possible harm caused by some MR can be slowed down or inhibited by artificial drug intervention,dietary pattern and lifestyle control.It also stimulates people's curiosity to continue to explore the potential link between the MR and human aging and health,which should be paid more attention to for the development of life sciences. 展开更多
关键词 maillard reaction Advanced glycation end products Physiologic aging Pathological aging Drug intervention
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美拉德反应产物(Maillard Reaction Products MRPs)的生理活性及增量的技术措施 被引量:3
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作者 庄名扬 杨涛 《酿酒》 CAS 2009年第3期80-83,共4页
综述了美拉德反应产物抗氧化性能及重要的杂环类化合物—四甲基吡嗪阻抑肝细胞纤维化的作用,介绍了中国白酒中美拉德反应产物的分布,阐述了增加上述产物的技术措施。
关键词 美拉德反应产物 抗氧化性能 四甲基吡嗪 肝细胞纤维化 分布 技术措施
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The dynamic changes and mechanisms of Rehmanniae radix processing based on Maillard reaction 被引量:3
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作者 Xiang-Long Meng Bo Wang +4 位作者 Xiao-Yan Zhang Chen-Zi Lyu Xiao-Juan Su Chen-Xu Ning Shuo-Sheng Zhang 《Traditional Medicine Research》 2021年第1期63-73,共11页
Background:Traditional Chinese medicines are usually processed before they are used for clinical treatment.This is done in a way associated with the Maillard reaction.Methods:Based on the Maillard reaction,this paper ... Background:Traditional Chinese medicines are usually processed before they are used for clinical treatment.This is done in a way associated with the Maillard reaction.Methods:Based on the Maillard reaction,this paper analyzed the degree of processing of rehmannia root(Rehmanniae radix)relative to the dynamic variation rules of Maillard reaction index parameters,including pH,A420,amino acids,and 5-hydroxymethylfurfural.Furthermore,this study introduced thermal analysis techniques and pyrolysis kinetics to assess the influence of the correlation between processing raw rehmannia root and the Maillard reaction during carbonization.It then went through the whole process of transforming the raw material to end-product in order to explain the scientific connotation of processing it.Results:The results showed that each time rehmannia root was processed,its pH value and amino acid content decreased,while the A420 value and 5-HMF increased.Processing with wine shows a significant difference in these experimental indexes.The position and intensity of the maximum thermal weight loss rate peak of processed rehmannia root at different degrees of processing are different.Comprehensive quantitative 221±0.2°C for processed rehmannia root carbonization was the processing temperature limit.Moreover,the kinetic solution verified that the activation energy corresponding to the carbonization temperature was close to the maximum value of the activation energy of the whole carbonization process,and the optimal mechanism function was g(α)=((1−α)−1/3−1)2.Conclusion:The Maillard reaction occurred during the processing of rehmannia root mixed with carbonization.With each increase of the number of steaming and drying cycles involved in the processing,the level of Maillard reaction increased significantly.The wine-steaming method had a significant effect on the quality of the processed product. 展开更多
关键词 Processing of traditional Chinese medicine maillard reaction Radix Rehmanniae Praeparata Rehmannia root THERMOANALYSIS Pyrolysis kinetics
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Management of Maillard reaction-derived reactive carbonyl species and advanced glycation end products by tea and tea polyphenols 被引量:2
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作者 Yue Luo Jianan Zhang +1 位作者 Chi-Tang Ho Shiming Li 《Food Science and Human Wellness》 SCIE 2022年第3期557-567,共11页
Tea as the most consumed beverage in the world has received enormous attention for its promoting health benefits.The deleterious effect ofα-dicarbonyls and AGEs formed in Maillard reaction is also a longterm challeng... Tea as the most consumed beverage in the world has received enormous attention for its promoting health benefits.The deleterious effect ofα-dicarbonyls and AGEs formed in Maillard reaction is also a longterm challenge.The connection between the two topics was the main aim of this review,to address and update the antiglycation effect and mechanism of tea and tea polyphenols.By analyzing recent publications,we have covered across chemistry models,cell lines and animal studies.Tea polyphenols,particularly catechins,showed outstanding antiglycation effect by trappingα-dicarbonyl compounds and impeding AGEs formation.Reduction of carbonyl stress brought alleviation to aging,diabetes,and collagen related diseases or complications through regulation of RAGE expression and subsequent MAPK and TGF-βpathway.Therefore,tea polyphenols can serve as promising natural candidates in the treatment and/or prevention of nephropathy,retinopathy,hepatopathy,hyperglycemia and obesity among others,by their potent antiglycation effect.Further studies need to address on aspects like exact mechanisms,solution of detection obstacles,balance of practical usage and harmful effects such as potential flavor damage and toxicity in food,to gain a comprehensive understanding of antiglycation activities of tea polyphenols and its actual application. 展开更多
关键词 TEA Tea polyphenols Reactive carbonyl species Advanced glycation end product maillard reaction
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Maillard reaction in Chinese household-prepared stewed pork balls with brown sauce:potentially risky and volatile products 被引量:2
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作者 He Li Xiangyi Tang +1 位作者 Chunjian Wu Shujuan Yu 《Food Science and Human Wellness》 SCIE 2021年第2期221-230,共10页
The stewed pork balls with brown sauce(SPB-BS)in China is well known for its delicacy and preferred by consumers.Maillard reaction(MR)is widespread in SPB-BS due to the use of sugar,meat and sauce in the thermal proce... The stewed pork balls with brown sauce(SPB-BS)in China is well known for its delicacy and preferred by consumers.Maillard reaction(MR)is widespread in SPB-BS due to the use of sugar,meat and sauce in the thermal process.However,there is a lack of research on its risk and flavor by MR.By solid phase extraction combined with HPLC-MS,4 kinds of harmful compounds including acrylamide(AA),heterocyclic aromatic amines(HAAs),4-methylimidazole(4-MEI)and furan were analyzed in SPB-BS and their amounts ranged 0.05–0.50 mg/kg.The quantitative formula was proposed to evaluate the risk value of the SPB-BS,after taking into account the content,acceptable daily intake(ADI)and carcinogenicity of each compound.The risk values were in range of 0.57–37.93,suggesting that the risk caused by MR in SPB-BS was low.By head space-solid phase microextraction combined with GC-MS,57 volatile compounds in SPB-BS were identified with the dominant contribution of alcohols,aldehydes,acids and esters.Based on the structures of these compounds and the composition of SPB-BS,lipid oxidation and MR are inferred to be responsible for the formation of the harmful and volatile compounds.In addition,the added sauces and oil provides the main precursors to form the harmful and volatile compounds in SPB-BS,so it is necessary to point out a balance between them in the further study. 展开更多
关键词 Stewed pork balls with brown sauce maillard reaction Harmful compounds VOLATILES HS-SPME-GC-MS
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Oxidation combined with Maillard reaction induced free and protein-bound N^ε-carboxymethyllysine and Nε-carboxyethyllysine formation during braised chicken processing 被引量:2
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作者 Zongshuai Zhu Rui Fang +2 位作者 Ming Huang Yunji Wei Guanghong Zhou 《Food Science and Human Wellness》 SCIE 2020年第4期383-393,共11页
The objective of this work was to investigate the effects of oxidation and Maillard reaction on free and protein-bound N^ε-carboxymethyllysine(CML)and Nε-carboxyethyllysine(CEL)formation during braised chicken proce... The objective of this work was to investigate the effects of oxidation and Maillard reaction on free and protein-bound N^ε-carboxymethyllysine(CML)and Nε-carboxyethyllysine(CEL)formation during braised chicken processing.It was found that a positive correlation was observed between carbonyl,fat oxidation,Maillard reaction,CML and CEL(P<0.05).The sulfhydryl groups could be used as potential indicators to evaluate the compounds’interaction levels between Maillard reaction and protein oxidation.Frying promoted the formation of lysine(Lys),glyoxal(GO)and methylglyoxal(MGO)(P<0.05);boiling enhanced the formation of GO and MGO(P<0.05)while inhibited the levels of Lys(P<0.05);sterilizing blocked the formation of MGO and Lys(P<0.01)but improved GO levels(P<0.05).Finally,a perspective was concluded that the Maillard reaction combined with oxidation is one of the main reasons for the formation of free and protein-bound CML and CEL during braised chicken processing. 展开更多
关键词 maillard reaction N^ε-carboxymethyllysine N^ε-carboxyethyllysine Braised chicken
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Maillard reaction and immunogenicity of protein therapeutics
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作者 Rositsa Tsekovska Angelina Sredovska-Bozhinov +2 位作者 Toshimitsu Niwa Ivan Ivanov Roumyana Mironova 《World Journal of Immunology》 2016年第1期19-38,共20页
The recombinant DNA technology enabled the production of a variety of human therapeutic proteins.Accumulated clinical experience,however,indicates that the formation of antibodies against such proteins is a general ph... The recombinant DNA technology enabled the production of a variety of human therapeutic proteins.Accumulated clinical experience,however,indicates that the formation of antibodies against such proteins is a general phenomenon rather than an exception.The immunogenicity of therapeutic proteins results in inefficient therapy and in the development of undesired,sometimes life-threatening,side reactions.The human proteins,designed for clinical application,usually have the same amino acid sequence as their native prototypes and it is not yet fully clear what the reasons for their immunogenicity are.In previous studies we have demonstrated for the first time that interferon-b(IFN-b)pharmaceuticals,used for treatment of patients with multiple sclerosis,do contain advanced glycation end products(AGEs)that contribute to IFN-b immunogenicity.AGEs are the final products of a chemical reaction known as the Maillard reaction or glycation,which implication in protein drugs' immunogenicity has been overlooked so far.Therefore,the aim of the present article is to provide a comprehensive overview on the Maillard reaction with emphasis on experimental data and theoretical consideration telling us why the Maillard reaction warrants special attention in the context of the welldocumented protein drugs' immunogenicity. 展开更多
关键词 maillard reaction Glycation Advanced glycation end products Protein therapeutics Interferon-b IMMUNOGENICITY
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Preparation of natural isovaleraldehyde by the Maillard reaction 被引量:5
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作者 Hong Yu Tian Jie Zhang +3 位作者 Bao Guo Sun Ming Quan Huang Jian Rong Li Xiao Xiang Han 《Chinese Chemical Letters》 SCIE CAS CSCD 2007年第9期1049-1052,共4页
Isovaleraldehyde possesses malty,fruity,cocoa-like odor and is widely used in fruit,chocolate,coffee flavors.The preparation of natural isovaleraldehyde by the Maillard model reaction was studied in this paper.The eff... Isovaleraldehyde possesses malty,fruity,cocoa-like odor and is widely used in fruit,chocolate,coffee flavors.The preparation of natural isovaleraldehyde by the Maillard model reaction was studied in this paper.The effects of the ratio of D-glucose/L-leucine, reaction temperature and pH value on the yield of isovaleraldehyde were explored.The optimum conditions were as follows: n(D-glucose):n(L-leucine)=4,temperature 150℃,reaction time 3 h,pH 5.The highest yield of isovaleraldehyde obtained was about 32%. 展开更多
关键词 maillard reaction NATURAL FLAVORS Isovaleraldehye PREPARATION
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Effect of Maillard Reaction Products (MRP) on Chlorophyll Stability in Green Peas 被引量:2
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作者 Ranganathan Kumar Ramalingam Rajamanickam Shanmugam Nadanasabapathi 《Food and Nutrition Sciences》 2013年第9期879-883,共5页
Maillard Reaction Products (MRP) was prepared from glucose and glysine heated at 90°C in air circulating oven for 12 hours. The effect of MRP on chlorophyll stability in green peas was investigated. The addition ... Maillard Reaction Products (MRP) was prepared from glucose and glysine heated at 90°C in air circulating oven for 12 hours. The effect of MRP on chlorophyll stability in green peas was investigated. The addition of Maillard Reaction Products (MRP) decreased the loss of chlorophyll a, chlorophyll b and total chlorophyll. The conversion of pheophytin and pyropheophytin were also reduced by the addition of MRP. 展开更多
关键词 COLOUR CHLOROPHYLL maillard reaction Products (MRP) HEAT Treatment
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Study on the Regulation of Diorganogermanium Compounds on the Maillard Reaction of Histidine and Glycine by Fluorescence Spectrum 被引量:1
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作者 Chen, J Ma, GX +2 位作者 Li, XJ Zhang, SG Li, DQ 《Chinese Chemical Letters》 SCIE CAS CSCD 1998年第12期0-0,共2页
关键词 Diorganogermanium COMPOUNDS maillard reaction FLUORESCENCE SPECTRUM
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The immunoreactivity of Cra a 4 decreased after Maillard reaction with xylose and glucose
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作者 Meng Liu Fei Huan +7 位作者 Jianhua Zhang Lijun Huang Lei Yu Tianliang Bai Jingyu Zhang Yang Yang Guixia Chen Guangming Liu 《Food Materials Research》 2022年第1期121-130,共10页
Cra a 4 is a heat stable allergen in oyster,the effect of Maillard reaction on the immunoreactivity and structure of Cra a 4 was investigated.Firstly,Cra a 4 was cloned,expressed and identified.The purified Cra a 4 wa... Cra a 4 is a heat stable allergen in oyster,the effect of Maillard reaction on the immunoreactivity and structure of Cra a 4 was investigated.Firstly,Cra a 4 was cloned,expressed and identified.The purified Cra a 4 was incubated with xylose at 100℃,pH 8.5 for 30 min or with glucose for 60 min.After Maillard reaction,the IgE-binding activity of Cra a 4 and in vitro digested samples was reduced by about 50%.The unfoldα-helix and higher surface hydrophobicity of glycated Cra a 4 were identified as the reason for hypo-immunoreactivity.The higher frequency of lysine(13%)in the primary structure and exposure on the surface of the spatial structure was attributed to the hypo-immunoreactivity of Cra a 4 after Maillard reaction.It comprehensively evaluated the effects of Maillard reaction on Cra a 4 and provids new methods for the industrial production of hypoallergenic oyster.The modified Cra a 4 by Maillard reaction could be a hypoallergenic therapeutic agent for allergy to oyster. 展开更多
关键词 reaction IMMUNO REACTIVITY
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Flavor changes in Lentinus Edodes enzymatic hydrolysate maillard reaction products with different sugars by gas chromatography‐ion mobility spectrometry
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作者 Wenjia Cui Peiji Liu +2 位作者 Houli Liu Yifei Sun Wenliang Wang 《Journal of Future Foods》 2023年第1期43-48,共6页
The characteristic flavor of the enzymatic hydrolysate of Lentinus edodes,which was involved in the Maillard reaction by xylose,fructose,glucose,sucrose,mannose,maltose,vitamin C(VC)and L-arabinose,was determined and ... The characteristic flavor of the enzymatic hydrolysate of Lentinus edodes,which was involved in the Maillard reaction by xylose,fructose,glucose,sucrose,mannose,maltose,vitamin C(VC)and L-arabinose,was determined and analyzed by gas chromatography-ion mobility spectroscopy(GC-IMS).The characteristic flavor fingerprints of Maillard reaction products(MRPs)of L.edodes enzymatic hydrolysate were constructed.The differences in the characteristic flavors of Maillard reaction with different reducing sugars and VC were compared.The main characteristic flavor,characteristic peak,characteristic marker substance and content were determined,a principal component analysis(PCA)of volatile organic compounds(VOCs)was carried out.The results showed that there were 42 kinds of monomers and some dimers of volatile compounds in the samples including 17 aldehydes,5 alcohols,7 ketones,2 esters,2 acids,7 other compounds and 2 ethers.The volatile VOCs of the sample with added sucrose,VC and L-arabinose were significantly higher than those of the enzymatic hydrolysate of L.edodes.After the Maillard reaction,the flavor of the hydrolysate was significantly improved,and the main components changed significantly. 展开更多
关键词 FLAVOUR Reducing sugar Lentinus edodes maillard reaction
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Reaction视频中用户弹幕信息交互行为的情感反应生成机理研究
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作者 叶许婕 赵宇翔 +2 位作者 张妍 李金昊 Preben Hansen 《信息资源管理学报》 2024年第2期104-120,共17页
深入挖掘Reaction视频中弹幕信息交互行为的情感反应机理有助于理解用户弹幕创作背后的情感生成原因及情感变化过程。本文基于情感反应模型,利用定向内容分析法对哔哩哔哩网站中11个热门视频的弹幕信息资源、视频内容以及reactor反应情... 深入挖掘Reaction视频中弹幕信息交互行为的情感反应机理有助于理解用户弹幕创作背后的情感生成原因及情感变化过程。本文基于情感反应模型,利用定向内容分析法对哔哩哔哩网站中11个热门视频的弹幕信息资源、视频内容以及reactor反应情况展开编码研究,构建了Reaction视频中用户弹幕信息交互行为的情感反应生成机理模型。研究发现,Reaction视频弹幕信息交互行为中的情感反应生成机理总体上遵循“信息刺激-情感反应”的路径,信息刺激有时会独立唤醒情绪或特定情感态度,有时也会通过唤醒特定情感态度进而影响情绪或内化情感态度的生成。该模型有助于提升情感反应理论在计算机协助交流中的情境化探索,也将为社交媒体中用户与信息交互提供优化建议。 展开更多
关键词 reaction视频 弹幕 用户信息交互 情感反应模型 定向内容分析
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Maillard反应前体物质参与木质素微生物转化产物的FTIR光谱特性
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作者 曾玉萍 王楠 +4 位作者 曹志伟 宋岩 郭洪鹏 邱小成 王帅 《光谱学与光谱分析》 SCIE EI CAS CSCD 2024年第4期1183-1190,共8页
腐殖质(HS)是由各类前体物质缩聚而成,前体物质是调控HS形成的关键。Maillard反应前体物质能否对木质素转化、HS形成有促进作用有待验证。鉴于此,采用液体摇瓶培养法,以木质素培养液为研究对象,通过添加邻苯二酚、葡萄糖和甘氨酸的单一... 腐殖质(HS)是由各类前体物质缩聚而成,前体物质是调控HS形成的关键。Maillard反应前体物质能否对木质素转化、HS形成有促进作用有待验证。鉴于此,采用液体摇瓶培养法,以木质素培养液为研究对象,通过添加邻苯二酚、葡萄糖和甘氨酸的单一及组合溶液,启动120 d的液体摇瓶培养,采用离心法收集上清液(细胞代谢产物)和沉淀(菌体残留物),分析两者性质并深入研究菌体残留物FTIR的光谱特性,系统评价各前体物质对木质素向HS转化的贡献。结果表明:(1)在木质素培养液中添加甘氨酸,历经液体摇瓶培养更有利于细胞代谢产物有机分子的缩合,使其结构趋于复杂,而邻苯二酚参与的4个处理及单独添加葡萄糖更易促进细胞代谢产物的降解,使其分子结构更加简单。与作为空白对照(CK)的无菌去离子水相比,外源添加Maillard反应前体物质能够促进细胞代谢产物矿化,使总有机碳(total organic carbon,TOC)含量下降,单一添加邻苯二酚能够使细胞代谢产物TOC含量始终高于其他处理;(2)添加Maillard反应前体物质可显著提升木质素微生物转化形成菌体残留物的回收率,单一添加邻苯二酚的菌体残留物回收率提升幅度最大,而邻苯二酚、葡萄糖和甘氨酸三者组合溶液对菌体残留物回收率的提升幅度最小,葡萄糖和甘氨酸的组合溶液使菌体残留物回收率在整个培养期间始终处于最高水平。添加Maillard反应前体物质使菌体残留物TOC含量的增加幅度小于CK,尽管如此,培养结束时,邻苯二酚参与的4个处理、葡萄糖和甘氨酸组合溶液的添加使菌体残留物TOC含量显著高于CK;(3)木质素经微生物转化形成的菌体残留物拥有羟基O—H、不对称脂族—CH_(3)、对称脂族—CH_(2)—、芳香碳C C及多糖类物质,与土壤胡敏酸有着相似的FTIR特征,但其分子缩合度尚无法达到土壤胡敏酸的复杂程度。各处理在完成培养后,菌体残留物中的羟基含量有着不同程度增加,而多糖含量有所下降,单一甘氨酸以及葡萄糖和甘氨酸组合溶液的添加使菌体残留物的脂族化程度提高,而邻苯二酚参与的4个处理及单独添加葡萄糖可使菌体残留物中的芳香碳比例进一步提高。综上,添加Maillard反应前体物质可促进细胞代谢产物矿化,使TOC含量下降、提高菌体残留物回收率,同时使其羟基含量增加、多糖含量降低,不同前体物质对菌体残留物脂族化和芳香化的影响规律不同,邻苯二酚参与的4个处理及单一添加葡萄糖可使菌体残留物中的芳香碳比例提高。 展开更多
关键词 maillard反应 前体物质 木质素 菌体残留物 FTIR光谱
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Tuning electronic structure of RuO_(2)by single atom Zn and oxygen vacancies to boost oxygen evolution reaction in acidic medium
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作者 Qing Qin Tiantian Wang +7 位作者 Zijian Li Guolin Zhang Haeseong Jang Liqiang Hou Yu Wang Min Gyu Kim Shangguo Liu Xien Liu 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第1期94-102,I0003,共10页
The poor stability of RuO_(2)electrocatalysts has been the primary obstacles for their practical application in polymer electrolyte membrane electrolyzers.To dramatically enhance the durability of RuO_(2)to construct ... The poor stability of RuO_(2)electrocatalysts has been the primary obstacles for their practical application in polymer electrolyte membrane electrolyzers.To dramatically enhance the durability of RuO_(2)to construct activity-stability trade-off model is full of significance but challenging.Herein,a single atom Zn stabilized RuO_(2)with enriched oxygen vacancies(SA Zn-RuO_(2))is developed as a promising alternative to iridium oxide for acidic oxygen evolution reaction(OER).Compared with commercial RuO_(2),the enhanced Ru–O bond strength of SA Zn-RuO_(2)by forming Zn-O-Ru local structure motif is favorable to stabilize surface Ru,while the electrons transferred from Zn single atoms to adjacent Ru atoms protects the Ru active sites from overoxidation.Simultaneously,the optimized surrounding electronic structure of Ru sites in SA ZnRuO_(2)decreases the adsorption energies of OER intermediates to reduce the reaction barrier.As a result,the representative SA Zn-RuO_(2)exhibits a low overpotential of 210 mV to achieve 10 mA cm^(-2)and a greatly enhanced durability than commercial RuO_(2).This work provides a promising dual-engineering strategy by coupling single atom doping and vacancy for the tradeoff of high activity and catalytic stability toward acidic OER. 展开更多
关键词 ELECTROCATALYST Acidic oxygen evolution reaction Electronic structure engineering DURABILITY reaction barrier
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The reaction mechanism and interfacial crystallization of Al nanoparticle-embedded Ni under shock loading
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作者 Yifan Xie Jian-Li Shao +1 位作者 Rui Liu Pengwan Chen 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第3期114-124,共11页
The shock-induced reaction mechanism and characteristics of Ni/Al system,considering an Al nanoparticle-embedded Ni single crystal,are investigated through molecular dynamics simulation.For the shock melting of Al nan... The shock-induced reaction mechanism and characteristics of Ni/Al system,considering an Al nanoparticle-embedded Ni single crystal,are investigated through molecular dynamics simulation.For the shock melting of Al nanoparticle,interfacial crystallization and dissolution are the main characteristics.The reaction degree of Al particle first increases linearly and then logarithmically with time driven by rapid mechanical mixing and following dissolution.The reaction rate increases with the decrease of particle diameter,however,the reaction is seriously hindered by interfacial crystallization when the diameter is lower than 9 nm in our simulations.Meanwhile,we found a negative exponential growth in the fraction of crystallized Al atoms,and the crystallinity of B2-NiAl(up to 20%)is positively correlated with the specific surface area of Al particle.This can be attributed to the formation mechanism of B2-NiAl by structural evolution of finite mixing layer near the collapsed interface.For shock melting of both Al particle and Ni matrix,the liquid-liquid phase inter-diffusion is the main reaction mechanism that can be enhanced by the formation of internal jet.In addition,the enhanced diffusion is manifested in the logarithmic growth law of mean square displacement,which results in an almost constant reaction rate similar to the mechanical mixing process. 展开更多
关键词 Shock-induced reaction Molecular dynamics simulations Interfacial crystallization reaction mechanism
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Exciting lattice oxygen of nickel–iron bi-metal alkoxide for efficient electrochemical oxygen evolution reaction
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作者 Saihang Zhang Senchuan Huang +8 位作者 Fengzhan Sun Yinghui Li Li Ren Hao Xu Zhao Li Yifei Liu Wei Li Lina Chong Jianxin Zou 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第1期194-201,I0005,共9页
High efficiency,cost-effective and durable electrocatalysts are of pivotal importance in energy conversion and storage systems.The electro-oxidation of water to oxygen plays a crucial role in such energy conversion te... High efficiency,cost-effective and durable electrocatalysts are of pivotal importance in energy conversion and storage systems.The electro-oxidation of water to oxygen plays a crucial role in such energy conversion technologies.Herein,we report a robust method for the synthesis of a bimetallic alkoxide for efficient oxygen evolution reaction(OER)for alkaline electrolysis,which yields current density of 10 mA cm^(-2)at an overpotential of 215 mV in 0.1 M KOH electrolyte.The catalyst demonstrates an excellent durability for more than 540 h operation with negligible degradation in activity.Raman spectra revealed that the catalyst underwent structure reconstruction during OER,evolving into oxyhydroxide,which was the active site proceeding OER in alkaline electrolyte.In-situ synchrotron X-ray absorption experiment combined with density functional theory calculation suggests a lattice oxygen involved electrocatalytic reaction mechanism for the in-situ generated nickel–iron bimetal-oxyhydroxide catalyst.This mechanism together with the synergy between nickel and iron are responsible for the enhanced catalytic activity and durability.These findings provide promising strategies for the rational design of nonnoble metal OER catalysts. 展开更多
关键词 Oxygen evolution reaction Nickel-iron bi-metal alkoxide Lattice oxygen-mediated reaction mechanism Alkaline electrolysis ELECTROCATALYSTS
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Solvent effects on Diels-Alder reaction in ionic liquids:A reaction density functional study
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作者 Zijiang Dou Weiqiang Tang +1 位作者 Peng Xie Shuangliang Zhao 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2024年第2期180-188,共9页
Extensive experimental studies have been performed on the Diels-Alder(DA)reactions in ionic liquids(ILs),which demonstrate that the IL environment can significantly influence the reaction rates and selectivity.However... Extensive experimental studies have been performed on the Diels-Alder(DA)reactions in ionic liquids(ILs),which demonstrate that the IL environment can significantly influence the reaction rates and selectivity.However,the underlying microscopic mechanism remains ambiguous.In this work,the multiscale reaction density functional theory is applied to explore the effect of 1-butyl-3-methylimidazolium hexafluorophosphate([BMIM][PF_(6)])solvent on the reaction of cyclopentadiene(CP)with acrolein,methyl acrylate,or acrylonitrile.By analyzing the free energy landscape during the reaction,it is found that the polarization effect has a relatively small influence,while the solvation effect makes both the activation free energy and reaction free energy decrease.In addition,the rearrangement of local solvent structure shows that the cation spatial distribution responds more evidently to the reaction than the anion,and this indicates that the cation plays a dominant role in the solvation effect and so as to affect the reaction rates and selectivity of the DA reactions. 展开更多
关键词 Solvent effect Ionic liquids Diels-Alder reaction reaction density functional theory
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In situ infrared, Raman and X-ray spectroscopy for the mechanistic understanding of hydrogen evolution reaction
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作者 Andi Haryanto Kyounghoon Jung +1 位作者 Chan Woo Lee Dong-Wan Kim 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第3期632-651,I0014,共21页
Hydrogen production by water reduction reactions has received considerable attention because hydrogen is considered a clean-energy carrier,key for a sustainable energy future.Computational methods have been widely use... Hydrogen production by water reduction reactions has received considerable attention because hydrogen is considered a clean-energy carrier,key for a sustainable energy future.Computational methods have been widely used to study the reaction mechanism of the hydrogen evolution reaction(HER),but the calculation results need to be supported by experimental results and direct evidence to confirm the mechanistic insights.In this review,we discuss the fundamental principles of the in situ spectroscopic strategy and a theoretical model for a mechanistic understanding of the HER.In addition,we investigate recent studies by in situ Fourier transform infrared(FTIR),Raman spectroscopy,and X-ray absorption spectroscopy(XAS) and cover new findings that occur at the catalyst-electrolyte interface during HER.These spectroscopic strategies provide practical ways to elucidate catalyst phase,reaction intermediate,catalyst-electrolyte interface,intermediate binding energy,metal valency state,and coordination environment during HER. 展开更多
关键词 Hydrogen evolution reaction Infrared spectroscopy Raman spectroscopy X-ray absorption spectroscopy reaction mechanism
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Sulfur doped iron-nitrogen-hard carbon nanosheets as efficient and robust noble metal-free catalysts for oxygen reduction reaction in PEMFC
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作者 Bin Liu Jiawang Li +6 位作者 Bowen Yan Qi Wei Xingyu Wen Huarui Xie Huan He Pei Kang Shen Zhi Qun Tian 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第2期422-433,I0010,共13页
Transition metal-nitrogen-carbon(M-N-C)as a promising substitute for the conventional noble metalbased catalyst still suffers from low activity and durability for oxygen reduction reaction(ORR)in proton exchange membr... Transition metal-nitrogen-carbon(M-N-C)as a promising substitute for the conventional noble metalbased catalyst still suffers from low activity and durability for oxygen reduction reaction(ORR)in proton exchange membrane fuel cells(PEMFCs).To tackle the issue,herein,a new type of sulfur-doped ironnitrogen-hard carbon(S-Fe-N-HC)nanosheets with high activity and durability in acid media were developed by using a newly synthesized precursor of amide-based polymer with Fe ions based on copolymerizing two monomers of 2,5-thiophene dicarboxylic acid(TDA)as S source and 1,8-diaminonaphthalene(DAN)as N source via an amination reaction.The as-synthesized S-Fe-N-HC features highly dispersed atomic Fe Nxmoieties embedded into rich thiophene-S doped hard carbon nanosheets filled with highly twisted graphite-like microcrystals,which is distinguished from the majority of M-N-C with soft or graphitic carbon structures.These unique characteristics endow S-Fe-N-HC with high ORR activity and outstanding durability in 0.5 M H_(2)SO_(4).Its initial half-wave potential is 0.80 V and the corresponding loss is only 21 m V after 30,000 cycles.Meanwhile,its practical PEMFC performance is a maximum power output of 628.0 mW cm^(-2)and a slight power density loss is 83.0 m W cm^(-2)after 200-cycle practical operation.Additionally,theoretical calculation shows that the activity of Fe Nxmoieties on ORR can be further enhanced by sulfur doping at meta-site near FeN_(4)C.These results evidently demonstrate that the dual effect of hard carbon substrate and S doping derived from the precursor platform of amid-polymers can effectively enhance the activity and durability of Fe-N-C catalysts,providing a new guidance for developing advanced M-N-C catalysts for ORR. 展开更多
关键词 Transition metal-nitrogen-carbon Oxygen reduction reaction Hard carbon Amide based polymer reaction Proton exchange membrane cells
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