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Laser Spectroscopic Study of β-Estradiol and Its Monohydrated Clusters in a Supersonic Jet
https://hiroshima.repo.nii.ac.jp/records/2007488
https://hiroshima.repo.nii.ac.jp/records/20074885824ff4d-b8fc-4010-a38c-c60177aadaea
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
JPhysChemA_2012_116_8201.pdf (1.4 MB)
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| Item type | デフォルトアイテムタイプ_（フル）(1) | |||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 公開日 | 2023-03-18 | |||||||||||
| タイトル | ||||||||||||
| タイトル | Laser Spectroscopic Study of β-Estradiol and Its Monohydrated Clusters in a Supersonic Jet | |||||||||||
| 言語 | en | |||||||||||
| 作成者 |
Morishima, Fumiya
× Morishima, Fumiya
× Inokuchi, Yoshiya
× Ebata, Takayuki
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| アクセス権 | ||||||||||||
| アクセス権 | open access | |||||||||||
| アクセス権URI | http://purl.org/coar/access_right/c_abf2 | |||||||||||
| 権利情報 | ||||||||||||
| 権利情報 | Copyright (c) 2012 American Chemical Society | |||||||||||
| 主題 | ||||||||||||
| 主題Scheme | NDC | |||||||||||
| 主題 | 430 | |||||||||||
| 内容記述 | ||||||||||||
| 内容記述 | The structure of 17β-estradiol (estradiol) and its monohydrated clusters is studied in a supersonic jet. The laser induced fluorescence (LIF) spectrum of estradiol shows several sharp bands in the 35050－35200 cm-1 region. Ultraviolet-ultraviolet hole-burning (UV-UV HB) and infrared-ultraviolet double-resonance (IR-UV DR) spectra of these bands indicate that they are due to four different conformers of estradiol originating from the orientation of two OH groups in the A- and D-rings. Attachment of one H2O molecule to estradiol shifts the monomer origin bands to red by ~350 cm-1 with keeping the interval between the four bands, suggesting that estradiol-H2O 1:1 complexes have conformations similar to those of the four bare estradiol conformers, and that the H2O molecule is bonded to the OH group of the A-ring (phenyl ring). In addition, very weak bands are also found near the origin bands of bare estradiol. These bands are attributed to isomers of estradiol-H2O 1:1 having a hydrogen-bond at the D-ring OH. We determine the conformation of bare estradiol and the structures of its monohydrated complexes with the aid of density functional theory, and discuss the relation between the stability of hydrated clusters and the conformation of estradiol. | |||||||||||
| 言語 | en | |||||||||||
| 内容記述 | ||||||||||||
| 内容記述タイプ | Other | |||||||||||
| 内容記述 | This is a preprint of an article published by American Chemical Society in Journal of Physical Chemistry A, 2012, available online: http://pubs.acs.org/doi/abs/10.1021/jp302209z. | |||||||||||
| 内容記述 | ||||||||||||
| 内容記述タイプ | Other | |||||||||||
| 内容記述 | This work is supported from the Japan Society for the Promotion of Science (JSPS) through a Grant-in-Aid project (Nos. 18205003 and 21350016) and from MEXT through a Grant-in-Aid for the Scientific Research on Priority Area “Molecular Science for Supra Functional Systems" (No. 477). | |||||||||||
| 出版者 | ||||||||||||
| 出版者 | American Chemical Society | |||||||||||
| 言語 | ||||||||||||
| 言語 | eng | |||||||||||
| 資源タイプ | ||||||||||||
| 資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||||||||
| 資源タイプ | journal article | |||||||||||
| 出版タイプ | ||||||||||||
| 出版タイプ | AO | |||||||||||
| 出版タイプResource | http://purl.org/coar/version/c_b1a7d7d4d402bcce | |||||||||||
| 関連情報 | ||||||||||||
| 識別子タイプ | DOI | |||||||||||
| 関連識別子 | 10.1021/jp302209z | |||||||||||
| 関連情報 | ||||||||||||
| 識別子タイプ | PMID | |||||||||||
| 関連識別子 | 22809297 | |||||||||||
| 関連情報 | ||||||||||||
| 関連タイプ | isVersionOf | |||||||||||
| 識別子タイプ | DOI | |||||||||||
| 関連識別子 | http://dx.doi.org/10.1021/jp302209z | |||||||||||
| 収録物識別子 | ||||||||||||
| 収録物識別子タイプ | ISSN | |||||||||||
| 収録物識別子 | 1089-5639 | |||||||||||
| 開始ページ | ||||||||||||
| 開始ページ | 8201 | |||||||||||
| 書誌情報 |
Journal of Physical Chemistry A Journal of Physical Chemistry A 巻 116, 号 31, p. 8201-8208, 発行日 2012-08-09 |
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| 旧ID | 37979 | |||||||||||
