Dynamic NMR of Intramolecular Exchange Processes in EDTA Complexes of Sc3+, Y3+, and La3+

2006 ◽  
Vol 83 (2) ◽  
pp. 296 ◽  
Author(s):  
Yong Ba ◽  
Steven Han ◽  
Lily Ni ◽  
Tony Su ◽  
Andres Garcia
Keyword(s):  
Dynamic Nmr ◽  
Intramolecular Exchange ◽  
Exchange Processes ◽  
Edta Complexes

Transalkylierung und protonenkatalysierte C-C-Spaltung bei n-Butyl-und n-Pentylbenzol in der Gasphase / Transalkylation and Proton Catalyzed C-C-Cleavage of Gaseous n-Butyl and w-Pentyl Benzenes

1979 ◽  
Vol 34 (3) ◽  
pp. 495-501 ◽  
Author(s):  
C. Wesdemiotis ◽  
H. Schwarz ◽  
C. C. Van de Sande ◽  
F. Van Gaever
Keyword(s):  
Hydrogen Exchange ◽  
Closed Shell ◽  
Open Shell ◽  
Molecular Ions ◽  
Exchange Reactions ◽  
Intramolecular Exchange ◽  
Carbon Carbon Bond ◽  
Exchange Processes ◽  
Reaction Channels ◽  
Alkyl Benzenes

Abstract The investigation of several 13carbon and deuterium labelled n-butyl and n-pentyl benzenes demonstrate that chemical ionization (reagent gas: methane) induces specific carbon-carbon bond cleavages of the alkyl group. The extent of competing reaction channels as for instance direct alkene elimination versus dealkylation/reprotonation is analyzed. Partial hydrogen exchange processes between reagent ions and substrate molecules are restricted to the phenyl ring. Intramolecular exchange reactions between the side chain and the aromatic ring which are typical for the open shell molecular ions of alkyl benzenes are not observed for analogous closed shell cations.

Intramolekulare Austauschprozesse in Cyclopentadienyl-Systemen. Strukturabhängigkeit der Energiebarrieren / Intramolecular Exchange Processes in Cyclopentadien Systems. Structural Dependence of Activation Barrieres

1978 ◽  
Vol 33 (1) ◽  
pp. 94-99 ◽  
Author(s):  
Klaus Albert ◽  
Jürgen Hambrecht
Keyword(s):  
Energy Level ◽  
Transition State ◽  
Ground State ◽  
State Energy ◽  
Temperature Dependent ◽  
Structural Dependence ◽  
H Nmr ◽  
Intramolecular Exchange ◽  
Exchange Processes ◽  
Phenyl Rings

Abstract ⊿Gc ≠ values derived from temperature dependent 1H NMR of phenyl substituted cyclopentadienes show a dramatic increase by immobilizing two phenyl-rings. This phenomenon is explained by an increase in the transition state energy level whereas the ground state is hardly affected.

scholarly journals Structural ensembles based on NMR parameters suggest a complex pathway of ligand binding in human gastrotropin

2018 ◽  
Author(s):  
Zita Harmat ◽  
András L. Szabó ◽  
Orsolya Toke ◽  
Zoltán Gáspári
Keyword(s):  
Bile Salts ◽  
Conformational Exchange ◽  
Internal Cavity ◽  
Dynamic Nmr ◽  
Nmr Parameters ◽  
Exchange Processes ◽  
Second Mode ◽  
Structural Ensembles ◽  
Partial Unfolding ◽  
Dynamics Simulations

AbstractGastrotropin, the intracellular carrier of bile salts in the small intestine, binds two ligand molecules simultaneously in its internal cavity. The molecular rearrangements required for ligand entry are not yet fully clear. To improve our understanding of the binding process we combined molecular dynamics simulations with available structural and dynamic NMR parameters. The resulting ensembles reveal two distinct modes of barrel opening with one corresponding to the transition between the apo and holo states, whereas the other affecting different protein regions in both ligation states. Comparison of the calculated structures with NMR-derived parameters reporting on slow conformational exchange processes suggests that the protein undergoes partial unfolding along a path related to the second mode of the identified barrel opening motion.

Nomenclature for Intramolecular Exchange Processes

1971 ◽  
Vol 10 (8) ◽  
pp. 570-572 ◽  
Author(s):  
Gerhard Binsch ◽  
Ernest L. Eliel ◽  
Horst Kessler
Keyword(s):  
Intramolecular Exchange ◽  
Exchange Processes

Exchange Processes: Dynamic NMR

1980 ◽  
pp. 240-252
Author(s):  
EDWIN D. BECKER
Keyword(s):  
Dynamic Nmr ◽  
Exchange Processes

The effect of bridgehead steric bulk on the ground state and intramolecular exchange processes of (μ-SCH2CR2CH2S)[Fe(CO)3][Fe(CO)2L] complexes

2008 ◽  
Vol 11 (8) ◽  
pp. 861-874 ◽  
Author(s):  
Michael L. Singleton ◽  
Roxanne M. Jenkins ◽  
Cory L. Klemashevich ◽  
Marcetta Y. Darensbourg
Keyword(s):  
Ground State ◽  
Intramolecular Exchange ◽  
Exchange Processes

Exchange Processes: Dynamic NMR

1980 ◽  
pp. 240-252 ◽  
Author(s):  
EDWIN D. BECKER
Keyword(s):  
Dynamic Nmr ◽  
Exchange Processes

Thorium-edta complexes- a conductometric study

1960 ◽  
Vol 23 ◽  
pp. 200-201
Author(s):  
V AATHAVALE ◽  
S SARAIYA ◽  
A SUNDARAM
Keyword(s):  
Edta Complexes ◽  
Conductometric Study
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