Utility of Proton Hyperfine Shifts in Elucidating the Electronic Structure of Horseradish Peroxidase Compounds I and II and Their Model Compounds

1982 ◽  
pp. 661-674 ◽  
Author(s):  
L. LATOS-GRAZYNSKI ◽  
ALAN L. BALCH ◽  
GERD N. LA MAR
Keyword(s):  
Electronic Structure ◽  
Horseradish Peroxidase ◽  
Model Compounds

Contributions of Conformational and Structural Defects to the Hyperpolarizabilities of Polymers.

1990 ◽  
Vol 209 ◽  
Author(s):  
Steven M. Risser ◽  
Kim F. Ferris
Keyword(s):  
Electronic Structure ◽  
Conjugated Polymers ◽  
Electronic Structure Calculations ◽  
Structural Defects ◽  
Model Compounds ◽  
Conjugated Molecules ◽  
Large Influence ◽  
Structure Calculations

The extent of the delocalized π electron network is of prime importance in determining hyperpolarizabilities of conjugated molecules. Thus, for conjugated polymers, disruptions to this continuous order such as structural and/or conformational defects may have a large influence on the hyperpolarizabilities. We have performed semiempirical electronic structure calculations for a series of model compounds such as polyenes and polyphosphazenes to determine the effects of structural and conformational defects on the hyperpolarizabilities. Briefly, we find that structural and conjugational defects enhance the hyperpolarizabilities of polyenes, but have little influence on polyphosphazenes due to their limited π delocalization.

Model Compounds Study for the Mechanism of Horseradish Peroxidase-Catalyzed Lignin Modification

2020 ◽  
Vol 191 (3) ◽  
pp. 981-995
Author(s):  
Dongjie Yang ◽  
Yalin Wang ◽  
Wenjing Huang ◽  
Zhixian Li ◽  
Xueqing Qiu
Keyword(s):  
Horseradish Peroxidase ◽  
Model Compounds ◽  
Lignin Modification
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