onr:"swepub:oai:DiVA.org:su-122481"
Search: onr:"swepub:oai:DiVA.org:su-122481" > Simultaneous Fittin...
- 1 of 1
- Previous record
- Next record
- To hitlist
Simultaneous Fitting of Absorption Spectra and Their Second Derivatives for an Improved Analysis of Protein Infrared Spectra
-
- Baldassarre, Maurizio (author)
- Stockholms universitet,Institutionen för biokemi och biofysik
-
- Li, Chenge (author)
- Stockholms universitet,Institutionen för biokemi och biofysik
-
- Eremina, Nadejda, 1985- (author)
- Stockholms universitet,Institutionen för biokemi och biofysik
- show more...
- Goormaghtigh, Erik (author)
- show less...
- (creator_code:org_t)
- 2015-07-10
- 2015
- English.
- In: Molecules. - : MDPI AG. - 1431-5157 .- 1420-3049. ; 20:7, s. 12599-12622
- Journal article (peer-reviewed)
Abstract
Subject headings
Close
- Infrared spectroscopy is a powerful tool in protein science due to its sensitivity to changes in secondary structure or conformation. In order to take advantage of the full power of infrared spectroscopy in structural studies of proteins, complex band contours, such as the amide I band, have to be decomposed into their main component bands, a process referred to as curve fitting. In this paper, we report on an improved curve fitting approach in which absorption spectra and second derivative spectra are fitted simultaneously. Our approach, which we name co-fitting, leads to a more reliable modelling of the experimental data because it uses more spectral information than the standard approach of fitting only the absorption spectrum. It also avoids that the fitting routine becomes trapped in local minima. We have tested the proposed approach using infrared absorption spectra of three mixed α/β proteins with different degrees of spectral overlap in the amide I region: ribonuclease A, pyruvate kinase, and aconitase.
Subject headings
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
Keyword
- Amide I
- Curve fitting
- Fourier-transform infrared spectroscopy
- FT-IR
- Second derivative
- Secondary structure
- Biochemistry
- biokemi
Publication and Content Type
- ref (subject category)
- art (subject category)
- 1 of 1
- Previous record
- Next record
- To hitlist
Find more in SwePub
- By the author/editor
- Baldassarre, Mau ...
- Li, Chenge
- Eremina, Nadejda ...
- Goormaghtigh, Er ...
- Barth, Andreas
- About the subject
-
- NATURAL SCIENCES
- NATURAL SCIENCES
- and Chemical Science ...
- and Physical Chemist ...
- Articles in the publication
- Molecules
- By the university
- Stockholm University
Search outside SwePub
- Extend your search to:
- Google Book Search
- Google Scholar
Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.
- Copyright © LIBRIS - National Library Systems
- LIBRIS.kb.se
