Observation of Backbone Cα-Deuteron Signals in Solid-State NMR Spectra of Labeled Alanines in Oriented Transmembrane Peptides

ABSTRACTThe thermosetting mechanism of an organosilicon polymer containing carborane has been studied utilizing the 13and 29Si solid-state NMR method. The polymer having C≡C bonds in the main chain and CH═CH2, Si-H bonds, and carborane in the bulky side chain, shows a very highly thermal stability in air by curing. From 13C and 29Si NMR spectra of the polymer, it was found that the intermolecular cross-linking reactions of the polymer was due to (1) the diene reaction between Ph-C≡C and C≡C and (2) the addition reaction between side chain terminal and Ph-C≡C and between CH═CH2 and Si–H, and a very highly thermal stable structure is formed.

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Combining solid-state NMR spectroscopy with first-principles calculations – a guide to NMR crystallography

Chemical Communications ◽

10.1039/c6cc02542k ◽

2016 ◽

Vol 52 (45) ◽

pp. 7186-7204 ◽

Cited By ~ 131

Author(s):

Sharon E. Ashbrook ◽

David McKay

Keyword(s):

Solid State ◽

Nmr Spectroscopy ◽

Dft Calculations ◽

First Principles ◽

Solid State Nmr ◽

Nmr Spectra ◽

First Principles Calculations ◽

Recent Developments ◽

Future Potential ◽

Nmr Crystallography

DFT calculations are an important tool in assigning and interpreting NMR spectra of solids: we discuss recent developments and their future potential in the context of NMR crystallography.

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95Mo solid-state NMR spectra of molybdates

Chemical Physics Letters ◽

10.1016/0009-2614(88)87197-5 ◽

1988 ◽

Vol 148 (5) ◽

pp. 413-416 ◽

Cited By ~ 18

Author(s):

V.M. Mastikhin ◽

O.B. Lapina ◽

R.I. Maximovskaya

Keyword(s):

Solid State ◽

Solid State Nmr ◽

Nmr Spectra

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Symmetry-based dipolar recoupling by optimal control: Band-selective experiments for assignment of solid-state NMR spectra of proteins

The Journal of Chemical Physics ◽

10.1063/1.3157737 ◽

2009 ◽

Vol 131 (2) ◽

pp. 025101 ◽

Cited By ~ 16

Author(s):

Anders Bodholt Nielsen ◽

Morten Bjerring ◽

Jakob Toudahl Nielsen ◽

Niels Chr. Nielsen

Keyword(s):

Optimal Control ◽

Solid State ◽

Solid State Nmr ◽

Nmr Spectra ◽

Dipolar Recoupling

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Lipid Dynamics Studied by Calculation of 31P Solid-State NMR Spectra Using Ensembles from Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/jp5000304 ◽

2014 ◽

Vol 118 (19) ◽

pp. 5119-5129 ◽

Cited By ~ 11

Author(s):

Sara K. Hansen ◽

Mikkel Vestergaard ◽

Lea Thøgersen ◽

Birgit Schiøtt ◽

Niels Chr. Nielsen ◽

...

Keyword(s):

Molecular Dynamics ◽

Solid State ◽

Molecular Dynamics Simulations ◽

Solid State Nmr ◽

Nmr Spectra ◽

Lipid Dynamics ◽

Dynamics Simulations

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31P and 195Pt solid-state NMR and DFT studies on platinum(i) and platinum(ii) complexes

Dalton Transactions ◽

10.1039/c8dt01561a ◽

2018 ◽

Vol 47 (27) ◽

pp. 8884-8891 ◽

Cited By ~ 5

Author(s):

Stefano Todisco ◽

Giacomo Saielli ◽

Vito Gallo ◽

Mario Latronico ◽

Antonino Rizzuti ◽

...

Keyword(s):

Solid State ◽

Dft Calculations ◽

Solid State Nmr ◽

Nmr Spectra ◽

Pulse Sequence ◽

Spin Orbit ◽

Dft Studies ◽

Relativistic Dft

31P and 195Pt solid state NMR spectra on anti-[(PHCy)ClPt(μ-PCy2)2Pt(PHCy)Cl] (3) and [(PHCy2)Pt(μ-PCy2)(κ2P,O-μ-POCy2)Pt(PHCy2)] (Pt–Pt) (4) were recorded under CP/MAS conditions (31P) or with the CP/CPMG pulse sequence (195Pt) and compared to data obtained by relativistic DFT calculations of 31P and 195Pt CS tensors and isotropic shielding at the ZORA Spin Orbit level.

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