Sack, I. ; Macholl, S. ; Wehrmann, F. ; Albrecht, J. ; Limbach, H. H. ; Fillaux, F. ; Baron, M. H. ; Buntkowsky, G. (1999)
A N-15-H-1 dipolar CSA solid-state NMR study of polymorphous polyglycine (-CO-CD2-(NH)-N-15-)(n).
In: Applied Magnetic Resonance, 17 (2-3)
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
The solid-stare H-1 MAS (magic-angle spinning), H-2 static, N-15 CP (cross polarization)-MAS and N-15-H-1 dipolar CSA (chemical shielding anisotropy) NMR (nuclear magnetic resonance) spectra of two different modifications of C-alpha-deuterated N-15-polyglycine, namely PG I and PG II (-CO-CD2- (NH)-N-15-)(n) are measured. The data from these spectra are compared to previous NMR, infrared, Raman and inelastic neutron scattering work. The deuteration of C-alpha eliminates the largest intramolecular H-1-H-1 dipolar coupling. The effect of the remaining (N)H-(N)H interaction (similar to 5 kHz) is nor negligible compared to the N-15-H-1 coupling (about 10 kHz). Its effect on the dipolar CSA spectra, described as a two-spin system, is analyzed analytically and numerically and it is shown that those parts of the powder spectrum, which correspond to orientations with a strong dipolar N-15-H-1 interaction, can be described as an effective two-spin system permitting the measurement of the strength of the N-15-H-1 dipolar interaction and the orientation of the dipolar vector with respect to the N-15 CSA frame. While in the PG II system the N-15 CSA tensor is collinear with the amide plane, in the PG I system the CSA tensor is tilted ca. 16 degrees with respect to the (delta(11)delta(22)) CSA plane.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 1999 |
| Autor(en): | Sack, I. ; Macholl, S. ; Wehrmann, F. ; Albrecht, J. ; Limbach, H. H. ; Fillaux, F. ; Baron, M. H. ; Buntkowsky, G. |
| Art des Eintrags: | Bibliographie |
| Titel: | A N-15-H-1 dipolar CSA solid-state NMR study of polymorphous polyglycine (-CO-CD2-(NH)-N-15-)(n) |
| Sprache: | Englisch |
| Publikationsjahr: | 1999 |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Applied Magnetic Resonance |
| Jahrgang/Volume einer Zeitschrift: | 17 |
| (Heft-)Nummer: | 2-3 |
| URL / URN: | http://apps.webofknowledge.com/full_record.do?product=WOS&se... |
| Kurzbeschreibung (Abstract): | The solid-stare H-1 MAS (magic-angle spinning), H-2 static, N-15 CP (cross polarization)-MAS and N-15-H-1 dipolar CSA (chemical shielding anisotropy) NMR (nuclear magnetic resonance) spectra of two different modifications of C-alpha-deuterated N-15-polyglycine, namely PG I and PG II (-CO-CD2- (NH)-N-15-)(n) are measured. The data from these spectra are compared to previous NMR, infrared, Raman and inelastic neutron scattering work. The deuteration of C-alpha eliminates the largest intramolecular H-1-H-1 dipolar coupling. The effect of the remaining (N)H-(N)H interaction (similar to 5 kHz) is nor negligible compared to the N-15-H-1 coupling (about 10 kHz). Its effect on the dipolar CSA spectra, described as a two-spin system, is analyzed analytically and numerically and it is shown that those parts of the powder spectrum, which correspond to orientations with a strong dipolar N-15-H-1 interaction, can be described as an effective two-spin system permitting the measurement of the strength of the N-15-H-1 dipolar interaction and the orientation of the dipolar vector with respect to the N-15 CSA frame. While in the PG II system the N-15 CSA tensor is collinear with the amide plane, in the PG I system the CSA tensor is tilted ca. 16 degrees with respect to the (delta(11)delta(22)) CSA plane. |
| Freie Schlagworte: | inelastic neutron-scattering proton-transfer dynamics chemical-shift tensors n-methylacetamide vibrational spectroscopy hydrogen-bonds conformation proteins polypeptides peptides |
| Zusätzliche Informationen: | 287GA Times Cited:12 Cited References Count:55 |
| Fachbereich(e)/-gebiet(e): | 07 Fachbereich Chemie 07 Fachbereich Chemie > Eduard Zintl-Institut > Fachgebiet Physikalische Chemie |
| Hinterlegungsdatum: | 27 Okt 2014 20:48 |
| Letzte Änderung: | 29 Mai 2019 12:26 |
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