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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/2007488
5824ff4d-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 JPhysChemA_2012_116_8201.pdf (1.4 MB)
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

en Morishima, Fumiya

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Inokuchi, Yoshiya

× Inokuchi, Yoshiya

en Inokuchi, Yoshiya

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Ebata, Takayuki

× Ebata, Takayuki

en 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
旧ID 37979
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