scholarly journals A combined NMR and DFT study of conformational dynamics in lanthanide complexes of macrocyclic DOTA-like ligands

2017 ◽  
Vol 19 (39) ◽  
pp. 26662-26671 ◽  
Author(s):  
Jan Blahut ◽  
Petr Hermann ◽  
Zdeněk Tošner ◽  
Carlos Platas-Iglesias
Keyword(s):  
Lanthanide Complexes ◽  
Molecular Level ◽  
Conformational Dynamics ◽  
Dft Study ◽  
Nmr Study

A NMR study of the conformational dynamics of paramagnetic Eu3+ complexes provides parameters for isomer interconversion with unprecedented accuracy, while DFT reveals mechanistic details at the molecular level.

A Comparative CEST NMR Study of Slow Conformational Dynamics of Small GTPases Complexed with GTP and GTP Analogues

2013 ◽  
Vol 52 (41) ◽  
pp. 10771-10774 ◽  
Author(s):  
Dong Long ◽  
Christopher B. Marshall ◽  
Guillaume Bouvignies ◽  
Mohammad T. Mazhab-Jafari ◽  
Matthew J. Smith ◽  
...  
Keyword(s):  
Conformational Dynamics ◽  
Small Gtpases ◽  
Nmr Study

On the molecular basis of H2O/DMSO eutectic mixtures by using natural products as molecular sensors: a combined NMR and DFT study

2021 ◽  
Author(s):  
Sana Fatima ◽  
Panayiotis C Varras ◽  
Atia-tul Wahab ◽  
Muhammad I Choudhary ◽  
Michael Siskos ◽  
...  
Keyword(s):  
Natural Products ◽  
1H Nmr ◽  
Molecular Basis ◽  
Molecular Level ◽  
Chemical Shifts ◽  
Dft Study ◽  
Dft Studies ◽  
Molecular Sensors ◽  
Nmr Chemical Shifts ◽  
Eutectic Mixtures

NMR and DFT studies of phenol containing natural products as molecular sensors were carried out to investigate H2O/DMSO eutectic mixtures at a molecular level. The 1H NMR chemical shifts of...

Physicochemical characterization of the dimeric lanthanide complexes[en{Ln(DO3A)(H2O)}2] and[pi{Ln(DTTA)(H2O)}2]2−: a variable-temperature17O NMR study

2004 ◽  
Vol 42 (3) ◽  
pp. 329-336 ◽  
Author(s):  
Tzu-Ming Lee ◽  
Tsan-Hwang Cheng ◽  
Ming-Hung Ou ◽  
C. Allen Chang ◽  
Gin-Chung Liu ◽  
...  
Keyword(s):  
Lanthanide Complexes ◽  
Physicochemical Characterization ◽  
Nmr Study

Dielectric and NMR study of conformational dynamics intrans‐1,2‐dichlorocyclohexane

1981 ◽  
Vol 74 (10) ◽  
pp. 5479-5490 ◽  
Author(s):  
William C. Ehrhardt ◽  
Worth E. Vaughan
Keyword(s):  
Conformational Dynamics ◽  
Nmr Study
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