Electronic structure and biological activity of steroids

Please use this identifier to cite or link to this item: https://doi.org/10.1016/S0301-4622(99)00027-7

Title:	Electronic structure and biological activity of steroids
Authors:	Novak, I. Kovač, B.
Keywords:	Photoelectron spectroscopy Steroids
Issue Date:	19-Apr-1999
Citation:	Novak, I., Kovač, B. (1999-04-19). Electronic structure and biological activity of steroids. Biophysical Chemistry 78 (3) : 233-240. ScholarBank@NUS Repository. https://doi.org/10.1016/S0301-4622(99)00027-7
Abstract:	We present the analysis of the electronic structure for 31 steroids by using HeI UV photoelectron spectroscopy (UPS) and MO calculations. The electronic structure of molecules in the gas phase is related directly to steroid-receptor binding measurements. The results indicate that formally 'inert' σ-skeleton plays a crucial role in diversifying the electronic structures of the title compounds ('ribbon-orbital effect'). This is an attempt to rationalize the biological activity of steroids (represented through steroid-receptor binding) by making direct correlation between spectroscopic and biological data. Copyright (C) 1999 Elsevier Science B.V. All rights reserved.
Source Title:	Biophysical Chemistry
URI:	http://scholarbank.nus.edu.sg/handle/10635/76067
ISSN:	03014622
DOI:	10.1016/S0301-4622(99)00027-7
Appears in Collections:	Staff Publications

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