Explore the reaction mechanism of the Maillard reaction: a density functional theory study
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| 001 | 605513406 | ||
| 003 | CHVBK | ||
| 005 | 20210128100700.0 | ||
| 007 | cr unu---uuuuu | ||
| 008 | 210128e20150501xx s 000 0 eng | ||
| 024 | 7 | 0 | |a 10.1007/s00894-015-2674-5 |2 doi |
| 035 | |a (NATIONALLICENCE)springer-10.1007/s00894-015-2674-5 | ||
| 245 | 0 | 0 | |a Explore the reaction mechanism of the Maillard reaction: a density functional theory study |h [Elektronische Daten] |c [Ge-Rui Ren, Li-Jiang Zhao, Qiang Sun, Hu-Jun Xie, Qun-Fang Lei, Wen-Jun Fang] |
| 520 | 3 | |a The mechanism of Maillard reaction has been investigated by means of density functional theory calculations in the gaseous phase and aqueous solution. The Maillard reaction is a cascade of consecutive and parallel reaction. In the present model system study, glucose and glycine were taken as the initial reactants. On the basis of previous experimental results, the mechanisms of Maillard reaction have been proposed, and the possibility for the formation of different compounds have been evaluated through calculating the relative energy changes for different steps of reaction under different pH conditions. Our calculations reveal that the TS3 in Amadori rearrangement reaction is the rate-determining step of Maillard reaction with the activation barriers of about 66.7 and 68.8kcal mol-1 in the gaseous phase and aqueous solution, respectively. The calculation results are in good agreement with previous studies and could provide insights into the reaction mechanism of Maillard reaction, since experimental evaluation of the role of intermediates in the Maillard reaction is quite complicated. | |
| 540 | |a Springer-Verlag Berlin Heidelberg, 2015 | ||
| 690 | 7 | |a Amadori rearrangement |2 nationallicence | |
| 690 | 7 | |a DFT calculations |2 nationallicence | |
| 690 | 7 | |a Maillard reaction |2 nationallicence | |
| 690 | 7 | |a Reaction mechanism |2 nationallicence | |
| 690 | 7 | |a Strecker degradation |2 nationallicence | |
| 700 | 1 | |a Ren |D Ge-Rui |u Department of Applied Chemistry, Zhejiang Gongshang Universty, 310018, Hangzhou, China |4 aut | |
| 700 | 1 | |a Zhao |D Li-Jiang |u Department of Applied Chemistry, Zhejiang Gongshang Universty, 310018, Hangzhou, China |4 aut | |
| 700 | 1 | |a Sun |D Qiang |u Department of Applied Chemistry, Zhejiang Gongshang Universty, 310018, Hangzhou, China |4 aut | |
| 700 | 1 | |a Xie |D Hu-Jun |u Department of Applied Chemistry, Zhejiang Gongshang Universty, 310018, Hangzhou, China |4 aut | |
| 700 | 1 | |a Lei |D Qun-Fang |u Department of Chemistry, Zhejiang University, 310027, Hangzhou, China |4 aut | |
| 700 | 1 | |a Fang |D Wen-Jun |u Department of Chemistry, Zhejiang University, 310027, Hangzhou, China |4 aut | |
| 773 | 0 | |t Journal of Molecular Modeling |d Springer Berlin Heidelberg |g 21/5(2015-05-01), 1-17 |x 1610-2940 |q 21:5<1 |1 2015 |2 21 |o 894 | |
| 856 | 4 | 0 | |u https://doi.org/10.1007/s00894-015-2674-5 |q text/html |z Onlinezugriff via DOI |
| 898 | |a BK010053 |b XK010053 |c XK010000 | ||
| 900 | 7 | |a Metadata rights reserved |b Springer special CC-BY-NC licence |2 nationallicence | |
| 908 | |D 1 |a research-article |2 jats | ||
| 949 | |B NATIONALLICENCE |F NATIONALLICENCE |b NL-springer | ||
| 950 | |B NATIONALLICENCE |P 856 |E 40 |u https://doi.org/10.1007/s00894-015-2674-5 |q text/html |z Onlinezugriff via DOI | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Ren |D Ge-Rui |u Department of Applied Chemistry, Zhejiang Gongshang Universty, 310018, Hangzhou, China |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Zhao |D Li-Jiang |u Department of Applied Chemistry, Zhejiang Gongshang Universty, 310018, Hangzhou, China |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Sun |D Qiang |u Department of Applied Chemistry, Zhejiang Gongshang Universty, 310018, Hangzhou, China |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Xie |D Hu-Jun |u Department of Applied Chemistry, Zhejiang Gongshang Universty, 310018, Hangzhou, China |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Lei |D Qun-Fang |u Department of Chemistry, Zhejiang University, 310027, Hangzhou, China |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Fang |D Wen-Jun |u Department of Chemistry, Zhejiang University, 310027, Hangzhou, China |4 aut | ||
| 950 | |B NATIONALLICENCE |P 773 |E 0- |t Journal of Molecular Modeling |d Springer Berlin Heidelberg |g 21/5(2015-05-01), 1-17 |x 1610-2940 |q 21:5<1 |1 2015 |2 21 |o 894 | ||