Next Article in Journal
Polyamine-Promoted Growth of One-Dimensional Nanostructure-Based Silica and Its Feature in Catalyst Design
Next Article in Special Issue
Solid-State NMR Spectroscopy of Metal–Organic Framework Compounds (MOFs)
Previous Article in Journal
Hard-X-ray Zone Plates: Recent Progress
Previous Article in Special Issue
Hyperpolarized Xenon Nuclear Magnetic Resonance (NMR) of Building Stone Materials
Materials 2012, 5(10), 1774-1786; doi:10.3390/ma5101774
Article

Pressure Dependence of 15N Chemical Shifts in Model Peptides Ac-Gly-Gly-X-Ala-NH2

1
,
1
,
2
,
1
,
2
 and
1,*
Received: 25 July 2012 / Revised: 21 August 2012 / Accepted: 11 September 2012 / Published: 27 September 2012
(This article belongs to the Special Issue NMR in Materials Science)
Download PDF [428 KB, 1 October 2012; original version 27 September 2012]

Abstract

High pressure NMR spectroscopy has developed into an important tool for studying conformational equilibria of proteins in solution. We have studied the amide proton and nitrogen chemical shifts of the 20 canonical amino acids X in the random-coil model peptide Ac-Gly-Gly-X-Ala-NH2, in a pressure range from 0.1 to 200 MPa, at a proton resonance frequency of 800 MHz. The obtained data allowed the determination of first and second order pressure coefficients with high accuracy at 283 K and pH 6.7. The mean first and second order pressure coefficients and for nitrogen are 2.91 ppm/GPa and −2.32 ppm/GPa2, respectively. The corresponding values and for the amide protons are 0.52 ppm/GPa and −0.41 ppm/GPa2. Residual dependent 1J1H15N-coupling constants are shown.
Keywords: tetrapeptide; high pressure; NMR spectroscopy; random-coil; chemical shift; J-coupling; nitrogen; amide group; backbone tetrapeptide; high pressure; NMR spectroscopy; random-coil; chemical shift; J-coupling; nitrogen; amide group; backbone
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Share & Cite This Article

Further Mendeley | CiteULike
Export to BibTeX |
EndNote
MDPI and ACS Style

Koehler, J.; Beck Erlach, M.; Crusca, E.; Kremer, W.; Munte, C.E.; Kalbitzer, H.R. Pressure Dependence of 15N Chemical Shifts in Model Peptides Ac-Gly-Gly-X-Ala-NH2. Materials 2012, 5, 1774-1786.

View more citation formats

Article Metrics

Comments

Citing Articles

[Return to top]
Materials EISSN 1996-1944 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert