Skip to main content

Maximum Entropy Deconvolution of Infrared Spectra: Use of a Novel Entropy Expression Without Sign Restriction

Buy Article:

$29.00 plus tax (Refund Policy)

Abstract:

Absorbance and difference infrared spectra are often acquired aiming to characterize protein structure and structural changes of proteins upon ligand binding, as well as for many other chemical and biochemical studies. Their analysis requires as a first step the identification of the component bands (number, position, and area) and as a second step their assignment. The first step of the analysis is challenged by the habitually strong band overlap in infrared spectra. Therefore, it is useful to make use of a mathematical method able to narrow the component bands to the extent to eliminate, or at least reduce, the band overlap. Additionally, to be of general applicability this method should permit negative values for the solution. We present a maximum entropy deconvolution approach for the band-narrowing of absorbance and difference spectra showing the required characteristics, which uses the generalized negative Burg-entropy (Itakura–Saïto discrepancy) generalized for difference spectra. We present results on synthetic noisy absorbance and difference spectra, as well as on experimental infrared spectra from the membrane protein bacteriorhodopsin.

Keywords: BAND NARROWING; DATA PROCESSING; INFRARED SPECTROSCOPY; RESOLUTION ENHANCEMENT; SPECTRAL QUANTIFICATION

Document Type: Research Article

DOI: http://dx.doi.org/10.1366/0003702053641504

Affiliations: Unitat de Biofísica. Departament de Bioquímica i de Biologia Molecular, Facultat de Medicina, Universitat Autònoma de Barcelona, 08193 Bellaterra, Barcelona, Spain

Publication date: April 1, 2005

More about this publication?
sas/sas/2005/00000059/00000004/art00015
dcterms_title,dcterms_description,pub_keyword
6
5
20
40
5

Access Key

Free Content
Free content
New Content
New content
Open Access Content
Open access content
Subscribed Content
Subscribed content
Free Trial Content
Free trial content
Cookie Policy
X
Cookie Policy
ingentaconnect website makes use of cookies so as to keep track of data that you have filled in. I am Happy with this Find out more