Investigation by DFT Methods of the Damage of Human Serum Albumin Including Amino Acid Derivative Schiff Base Zn(II) Complexes by IR-FEL Irradiation

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Onami, Yuika and Koya, Ryousuke and Kawasaki, Takayasu and Aizawa, Hiroki and Nakagame, Ryo and Miyagawa, Yoshito and Haraguchi, Tomoyuki and Akitsu, Takashiro and Tsukiyama, Koichi and Alcolea Palafox, Mauricio (2019) Investigation by DFT Methods of the Damage of Human Serum Albumin Including Amino Acid Derivative Schiff Base Zn(II) Complexes by IR-FEL Irradiation. International Journal of Molecular Sciences, 20 (11). p. 2846. ISSN 1422-0067

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Official URL: https://doi.org/10.3390/ijms20112846




Abstract

An infrared free electron laser (IR-FEL) can decompose aggregated proteins by excitation of vibrational bands. In this study, we prepared hybrid materials of protein (human serum albumin; HSA) including several new Schiff base Zn(II) complexes incorporating amino acid (alanine and valine) or dipeptide (gly-gly) derivative moieties, which were synthesized and characterized with UV-vis, circular dichroism (CD), and IR spectra. Density functional theory (DFT) and time dependent DFT (TD-DFT) calculations were also performed to investigate vibrational modes of the Zn(II) complexes. An IR-FEL was used to irradiate HSA as well as hybrid materials of HSA-Zn(II) complexes at wavelengths corresponding to imine C=N, amide I, and amide II bands. Analysis of secondary structures suggested that including a Zn(II) complex into HSA led to the structural change of HSA, resulting in a more fragile structure than the original HSA. The result was one of the characteristic features of vibrational excitation of IR-FEL in contrast to electronic excitation by UV or visible light.


Item Type:Article
Uncontrolled Keywords:TD-DFT; IR-FEL; human serum albumin; amino acid derivative; Schiff base; Zn(II) complex
Subjects:Sciences > Chemistry > Chemistry, Physical and theoretical
ID Code:66281
Deposited On:24 Jun 2021 15:37
Last Modified:25 Jun 2021 06:50

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