Measurement of multiple torsional angles from one-dimensional solid-state NMR spectra: application to the conformational analysis of a ligand in its biological receptor site

2010 ◽  
Vol 12 (42) ◽  
pp. 13999 ◽  
Author(s):  
Rachel Edwards ◽  
Jillian Madine ◽  
Lee Fielding ◽  
David A. Middleton
Keyword(s):  
Solid State ◽  
Conformational Analysis ◽  
Solid State Nmr ◽  
Nmr Spectra ◽  
Receptor Site ◽  
One Dimensional ◽  
Torsional Angles

Solid state NMR spectra of rapidly quenched superionic glasses composed of two lithium ortho-oxosalts

1996 ◽  
Vol 86-88 ◽  
pp. 535-538 ◽  
Author(s):  
Masanari Takahashi ◽  
Hiroshi Toyuki ◽  
Masahiro Tatsumisago ◽  
Tsutomu Minami
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Nmr Spectra

Solid State NMR Spectra of Tall Fescue Seed

1997 ◽  
pp. 255-256 ◽  
Author(s):  
J. F. Green ◽  
K. D. Gwinn ◽  
G. W. Kabalka ◽  
C. L. Anderson
Keyword(s):  
Solid State ◽  
Tall Fescue ◽  
Solid State Nmr ◽  
Nmr Spectra

Thermosetting Mechanism Study of Organosilicon Polymer Containing Carborane by Solid-State NMR Spectroscopy

1999 ◽  
Vol 576 ◽  
Author(s):  
H. Kimura ◽  
K. Okita ◽  
M. Ichitani ◽  
M. Yonezawa ◽  
T. Sugimoto
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Nmr Spectra ◽  
Main Chain ◽  
Addition Reaction ◽  
Side Chain ◽  
Mechanism Study ◽  
Nmr Method ◽  
Organosilicon Polymer ◽  
Thermal Stable

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.

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

2016 ◽  
Vol 52 (45) ◽  
pp. 7186-7204 ◽  
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.

95Mo solid-state NMR spectra of molybdates

1988 ◽  
Vol 148 (5) ◽  
pp. 413-416 ◽  
Author(s):  
V.M. Mastikhin ◽  
O.B. Lapina ◽  
R.I. Maximovskaya
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Nmr Spectra

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

2009 ◽  
Vol 131 (2) ◽  
pp. 025101 ◽  
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

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

2014 ◽  
Vol 118 (19) ◽  
pp. 5119-5129 ◽  
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

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

2018 ◽  
Vol 47 (27) ◽  
pp. 8884-8891 ◽  
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.

Solid State NMR Spectra of Microporous Aluminophosphates

1990 ◽  
pp. 76-77
Author(s):  
P. J. Grobet ◽  
H. Geerts ◽  
J. A. Martens ◽  
P. A. Jacobs
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Nmr Spectra
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