ログイン
言語:

WEKO3

  • トップ
  • ランキング
To
lat lon distance
To

Field does not validate



インデックスリンク

インデックスツリー

メールアドレスを入力してください。

WEKO

One fine body…

WEKO

One fine body…

アイテム

  1. 学会発表・講演等
  2. 口頭発表

Photoelectron spectroscopy and quantum chemical calculation study of electronic states of Br-incorporated DNA related molecules and their radio-sensitization mechanism

https://repo.qst.go.jp/records/83633
https://repo.qst.go.jp/records/83633
ae790153-7c13-4357-b01f-05759e2cf3d0
Item type 会議発表用資料 / Presentation(1)
公開日 2021-10-20
タイトル
タイトル Photoelectron spectroscopy and quantum chemical calculation study of electronic states of Br-incorporated DNA related molecules and their radio-sensitization mechanism
言語
言語 jpn
資源タイプ
資源タイプ識別子 http://purl.org/coar/resource_type/c_c94f
資源タイプ conference object
アクセス権
アクセス権 metadata only access
アクセス権URI http://purl.org/coar/access_right/c_14cb
著者 Yokoya, Akinari

× Yokoya, Akinari

WEKO 1008235

Yokoya, Akinari

Search repository
Hirato, Misaki

× Hirato, Misaki

WEKO 1008236

Hirato, Misaki

Search repository
Baba, Yuji

× Baba, Yuji

WEKO 1008237

Baba, Yuji

Search repository
Kurokawa, Yusaku

× Kurokawa, Yusaku

WEKO 1008238

Kurokawa, Yusaku

Search repository
Yusaku, Kurokawa4), Hiroshi Nakatsuji

× Yusaku, Kurokawa4), Hiroshi Nakatsuji

WEKO 1008239

Yusaku, Kurokawa4), Hiroshi Nakatsuji

Search repository
Mori, Seiji

× Mori, Seiji

WEKO 1008240

Mori, Seiji

Search repository
Shin-ichi, Wada

× Shin-ichi, Wada

WEKO 1008241

Shin-ichi, Wada

Search repository
Haga, Yoshinori

× Haga, Yoshinori

WEKO 1008242

Haga, Yoshinori

Search repository
藤井, 健太郎

× 藤井, 健太郎

WEKO 1008243

藤井, 健太郎

Search repository
Akinari, Yokoya

× Akinari, Yokoya

WEKO 1008244

en Akinari, Yokoya

Search repository
Misaki, Hirato

× Misaki, Hirato

WEKO 1008245

en Misaki, Hirato

Search repository
Kentaro, Fujii

× Kentaro, Fujii

WEKO 1008246

en Kentaro, Fujii

Search repository
抄録
内容記述タイプ Abstract
内容記述 Cells with DNA incorporating Br-dUMP as a thymidine monophosphate (dTMP) analog are known to be highly sensitive to ionizing radiation. To clarify physicochemical mechanism of the bromine-radiosensitization, the electronic state of the Br-DNA related molecules was investigated applying X-ray photoelectron spectroscopy (XPS). Quantum chemical calculations were also performed for these molecules which were undergone structural optimization using the Hartree-Fock (HF) and Møller-Plesset (MP2) method, and Density Functional Theory (DFT) to investigate whether the bromination affects the highest occupied and lowest unoccupied orbital (HOMO and LUMO) of these molecules. In terms of “radiation effect”, total yield of low-energy electrons generated by inelastic scattering of photo- or Auger electrons were also quantified using the XPS apparatus. The main findings from this study on the bromination of DNA are the following: (i) little effect on the core levels, the LUMO shapes and their spatial distributions for all atoms, (ii) contrarily reducing the binding energy of valence electrons to 0 eV from 1.0-1.8 eV, (iii) a high efficiency in generating the low energy electrons. These results suggest that the presence of Br reduce an energy gap between HOMO and LUMO so that it facilitates transfer of charges, holes, or the low energy electrons. The brominated DNA would possess a half-metal-like electronic property localized (presumably a nucleotide level) around bromine atom leading finally deleterious DNA damage in cells.
会議概要(会議名, 開催地, 会期, 主催者等)
内容記述タイプ Other
内容記述 日本放射線影響学会第64回大会
発表年月日
日付 2021-09-22
日付タイプ Issued
戻る
0
views
See details
Views

Versions

Ver.1 2023-05-15 17:23:50.781735
Show All versions

Share

Mendeley Twitter Facebook Print Addthis

Cite as

エクスポート

OAI-PMH
  • OAI-PMH JPCOAR 2.0
  • OAI-PMH JPCOAR 1.0
  • OAI-PMH DublinCore
  • OAI-PMH DDI
Other Formats
  • JSON
  • BIBTEX

Confirm


Powered by WEKO3


Powered by WEKO3