Investigation by DFT Methods of the Damage of Human Serum Albumin Including Amino Acid Derivative Schiff Base Zn(II) Complexes by IR-FEL Irradiation
dc.contributor.author | Onami, Yuika | |
dc.contributor.author | Koya, Ryousuke | |
dc.contributor.author | Kawasaki, Takayasu | |
dc.contributor.author | Aizawa, Hiroki | |
dc.contributor.author | Nakagame, Ryo | |
dc.contributor.author | Miyagawa, Yoshito | |
dc.contributor.author | Haraguchi, Tomoyuki | |
dc.contributor.author | Akitsu, Takashiro | |
dc.contributor.author | Tsukiyama, Koichi | |
dc.contributor.author | Alcolea Palafox, Mauricio | |
dc.date.accessioned | 2023-06-17T12:36:25Z | |
dc.date.available | 2023-06-17T12:36:25Z | |
dc.date.issued | 2019-06-11 | |
dc.description.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. | |
dc.description.department | Depto. de Química Física | |
dc.description.faculty | Fac. de Ciencias Químicas | |
dc.description.refereed | TRUE | |
dc.description.status | pub | |
dc.eprint.id | https://eprints.ucm.es/id/eprint/66281 | |
dc.identifier.doi | 10.3390/ijms20112846 | |
dc.identifier.issn | 1422-0067 | |
dc.identifier.officialurl | https://doi.org/10.3390/ijms20112846 | |
dc.identifier.relatedurl | https://www.mdpi.com/1422-0067/20/11/2846 | |
dc.identifier.uri | https://hdl.handle.net/20.500.14352/12606 | |
dc.issue.number | 11 | |
dc.journal.title | International Journal of Molecular Sciences | |
dc.language.iso | eng | |
dc.page.initial | 2846 | |
dc.publisher | MDPI | |
dc.rights | Atribución 3.0 España | |
dc.rights.accessRights | open access | |
dc.rights.uri | https://creativecommons.org/licenses/by/3.0/es/ | |
dc.subject.keyword | TD-DFT | |
dc.subject.keyword | IR-FEL | |
dc.subject.keyword | human serum albumin | |
dc.subject.keyword | amino acid derivative | |
dc.subject.keyword | Schiff base | |
dc.subject.keyword | Zn(II) complex | |
dc.subject.ucm | Química física (Química) | |
dc.title | Investigation by DFT Methods of the Damage of Human Serum Albumin Including Amino Acid Derivative Schiff Base Zn(II) Complexes by IR-FEL Irradiation | |
dc.type | journal article | |
dc.volume.number | 20 | |
dspace.entity.type | Publication | |
relation.isAuthorOfPublication | 1163c7a4-e779-417f-867c-a6e963e4525e | |
relation.isAuthorOfPublication.latestForDiscovery | 1163c7a4-e779-417f-867c-a6e963e4525e |
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