Sökning: id:"swepub:oai:DiVA.org:su-52568" >
Simulation of the A...
-
Karjalainen, Eeva-LiisaStockholms universitet,Institutionen för biokemi och biofysik
(författare)
Simulation of the Amide I Absorption of Stacked β-Sheets
- Artikel/kapitelEngelska2011
Förlag, utgivningsår, omfång ...
-
2010-12-17
-
American Chemical Society (ACS),2011
-
printrdacarrier
Nummerbeteckningar
-
LIBRIS-ID:oai:DiVA.org:su-52568
-
https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-52568URI
-
https://doi.org/10.1021/jp109918cDOI
Kompletterande språkuppgifter
-
Språk:engelska
-
Sammanfattning på:engelska
Ingår i deldatabas
Klassifikation
-
Ämneskategori:ref swepub-contenttype
-
Ämneskategori:art swepub-publicationtype
Anmärkningar
-
Aggregated β-sheet structures are associated with amyloid and prion diseases. Techniques capable of revealing detailed structural and dynamical information on β-sheet structure are thus of great biomedical and biophysical interest. In this work, the infrared (IR) amide I spectral characteristics of stacked β-sheets were modeled using the transition dipole coupling model. For a test set of β-sheet stacks, the simulated amide I spectrum was analyzed with respect to the following parameters; intersheet distance, relative rotation of the sheets with respect to each other and the effect of number of sheets stacked. The amide I maximum shifts about 5 cm(-1) to higher wavenumbers when the intersheet distance between two identical β-sheets decreases from 20 to 5 Å. Rotation around the normal of one of the sheets relative to the other results in maximum intersheet coupling near 0° and 180°. Upon of rotation from 0° to 90° at an intersheet distance of 9 Å, the amide I maximum shifts about 3 cm(-1). Tilting of one of the sheets by 30° from the normal results in a shift of the amide I maximum by less than 1 cm(-1). When stacking several β-sheets along the normal, the amide I maximum shifts to higher wavenumbers with increasing stack size. The amide I maximum shifts about 6 cm(-1) when stacking four sheets with an intersheet distance of 9 Å. The study provides an aid in the interpretation of the IR amide I region for experiments involving β-sheets and creates awareness of the many effects that determine the spectrum of β-sheet structures.
Ämnesord och genrebeteckningar
-
IR amide I
-
β-sheets
-
β-sheet structures
-
Biophysics
-
biofysik
Biuppslag (personer, institutioner, konferenser, titlar ...)
-
Ravi, Harish KumarStockholms universitet,Institutionen för biokemi och biofysik
(författare)
-
Barth, AndreasStockholms universitet,Institutionen för biokemi och biofysik(Swepub:su)abart
(författare)
-
Stockholms universitetInstitutionen för biokemi och biofysik
(creator_code:org_t)
Sammanhörande titlar
-
Ingår i:Journal of Physical Chemistry B: American Chemical Society (ACS)115:4, s. 749-7571520-61061520-5207
Internetlänk
Hitta via bibliotek
Till lärosätets databas