Influence of the Extent of Branching on Solution Conformations of Complex Oligosaccharides: A Molecular Dynamics and NMR Study of a Penta-Antennary "Bisected" N-Glycan

Biochemistry ◽  
1995 ◽  
Vol 34 (43) ◽  
pp. 14131-14137 ◽  
Author(s):  
T. J. Rutherford ◽  
D. C. A. Neville ◽  
S. W. Homans
Keyword(s):  
Molecular Dynamics ◽  
Nmr Study ◽  
Solution Conformations

Order and Conformation of Biphenyl in Cyanobiphenyl Liquid Crystals: A Combined Atomistic Molecular Dynamics and1H NMR Study

ChemPhysChem ◽  
2014 ◽  
Vol 15 (7) ◽  
pp. 1356-1367 ◽  
Author(s):  
Antonio Pizzirusso ◽  
Maria Enrica Di Pietro ◽  
Giuseppina De Luca ◽  
Giorgio Celebre ◽  
Marcello Longeri ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Liquid Crystals ◽  
Nmr Study

Proton NMR study of molecular dynamics in ammonium tribromo stannate (NH4SnBr3)

1993 ◽  
Vol 49 (12) ◽  
pp. 1773-1778 ◽  
Author(s):  
K.P. Ramesh ◽  
N. Devaraj ◽  
J. Ramakrishna ◽  
K. Venu ◽  
V.S.S. Sastry
Keyword(s):  
Molecular Dynamics ◽  
Proton Nmr ◽  
Nmr Study

Proton NMR Study of Molecular Dynamics in Hydrazinium Perchlorate

1990 ◽  
Vol 45 (2) ◽  
pp. 102-106
Author(s):  
K. Ganesan ◽  
R. Damle ◽  
J. Ramakrishna
Keyword(s):  
Molecular Dynamics ◽  
Relaxation Time ◽  
Lattice Relaxation ◽  
Lattice Relaxation Time ◽  
Proton Spin ◽  
Spin Lattice Relaxation ◽  
Temperature Minimum ◽  
Second Moment ◽  
Spin Lattice ◽  
Nmr Study

AbstractThe proton spin-lattice relaxation time T1 (at 5.4, 10 and 15 MHz) and second moment M2 (at 9.8 MHz) have been measured in hydrazinium Perchlorate (N2H5ClO4). The temperature dependence of T, shows two minima. The low temperature T, minimum has been explained in terms of NH3 reorientation about the N-N axis while the high temperature minimum is attributed to the exchange of protons within the NH2 group (180° flip about the H - N - H bisectrix). The activation energies for NH3 and NH: motions are found to be 20.5 kJ mol-1 and 39.8 kJ mol-1 , respectively. The second moment variation with temperature shows two transitions around 120 K and 210 K and has been discussed in terms of NH3/NH2 motions.

scholarly journals Determination of solution conformations of PrP106-126, a neurotoxic fragment of prion protein, by1H NMR and restrained molecular dynamics

1999 ◽  
Vol 266 (3) ◽  
pp. 1192-1201 ◽  
Author(s):  
Enzio Ragg ◽  
Fabrizio Tagliavini ◽  
Paolo Malesani ◽  
Luca Monticelli ◽  
Orso Bugiani ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Prion Protein ◽  
Solution Conformations ◽  
Restrained Molecular Dynamics

Ferrocene Adsorbed on Silica and Activated Carbon Surfaces: A Solid-State NMR Study of Molecular Dynamics and Surface Interactions

2020 ◽  
Vol 39 (7) ◽  
pp. 1080-1091 ◽  
Author(s):  
Patrick J. Hubbard ◽  
Jordon W. Benzie ◽  
Vladimir I. Bakhmutov ◽  
Janet Blümel
Keyword(s):  
Molecular Dynamics ◽  
Activated Carbon ◽  
Solid State ◽  
Solid State Nmr ◽  
Surface Interactions ◽  
Nmr Study ◽  
Carbon Surfaces

NMR Study of Molecular Dynamics in Complex Metal Borohydride LiZn2(BH4)5

2013 ◽  
Vol 117 (41) ◽  
pp. 21139-21147 ◽  
Author(s):  
Anton Gradišek ◽  
Dorthe B. Ravnsbæk ◽  
Stanislav Vrtnik ◽  
Andraž Kocjan ◽  
Janez Lužnik ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Complex Metal ◽  
Nmr Study

Multidimensional NMR Study of Tris(indenyl)methylsilane:  Molecular Dynamics Mapped onto a Hypercube

1996 ◽  
Vol 15 (26) ◽  
pp. 5645-5652 ◽  
Author(s):  
Mark Stradiotto ◽  
Suzie S. Rigby ◽  
Donald W. Hughes ◽  
Michael A. Brook ◽  
Alex D. Bain ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Multidimensional Nmr ◽  
Nmr Study
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