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ACS Omega · 2020 · IF 2.87

DFT-Calculated IR Spectrum Amide I, II, and III Band Contributions of N-Methylacetamide Fine Components

Yan Ji,Xiaoliang Yang,Zhi Ji,Linhui Zhu,Nana Ma,Dejun Chen,Xianbin Jia,Junming Tang,Yilin Cao

The infrared spectrum (IR) characteristic peaks of amide I, amide II, and amide III bands are marked as amide or peptide characteristic peaks. Through the nuclear magnetic resonance study, N-methylacetamide has been determined to have six fine components, which include protonation, hydration, and hydroxy structures. Then the independent IR spectrum of every component in N-methylacetamide is calculated by using the density functional theory quantum chemistry method, and the contribution of each component to amide I, II, and III bands is analyzed. The results of this research can help to explain the formation of the amide infrared spectrum, which has positive significance in organic chemistry, analytical chemistry, and chemical biology.

CAS / MDL: 79-16-3

研究领域: 有机化学 · 分析化学 · 化学生物学

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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES · 2021 · IF 6.953

Gel properties and network structure of the hydrogel constructed by iota-carrageenan and Ala-Lys dipeptide

Yu-Qiao Wang,Yi-Tong Han,Jia-Nan Yan,Yi-Nan Du,Xin-Yu Jiang,Hai-Tao Wu

Gel properties of hydrogel-forming by Ala-Lys dipeptide (AK) and iota-carrageenan (ι-C) were investigated by rheological behavior, fourier transform infrared analysis, cryo-scanning electron microscopy, low field-NMR relaxometry and magnetic resonance imaging. Iota-carrageenan was changed from a liquid to a gel with the addition of AK, and the existence of AK significantly increased the storage modulus ( G' ) of ι-C from 590.4 to 1077.8 Pa. In the ι-C/AK gel, the blue-shift of O H stretching and water deformation were observed, meanwhile, the presence of amide I band at 1682 cm −1 was observed. The network of ι-C/AK gel showed a dense honeycomb structure with flocculating continuous phase and rough entanglement morphology. After adding AK, the water free in the pores of ι-C entered the ι-C/AK gel matrix, and the binding capacity of bound water was enhanced. These scenarios proved that the AK as the cationic dipeptide could control the conversion of negatively charged ι-C from an original random structure to a helical structure due to electrostatic interactions and hydrogen bonds. This study provides a new opportunity for the peptides into carbohydrate-based gel matrices, which could provide insights for the further application of ι-C/AK gels in the fields of food industry, tissue engineering and drug delivery.

研究领域: 食品科学 · 材料科学 · 生物医学工程

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DFT-Calculated IR Spectrum Amide I, II, and III Band Contributions of N-Methylacetamide Fine Components

Gel properties and network structure of the hydrogel constructed by iota-carrageenan and Ala-Lys dipeptide