Demonstration of the Heterolytic OO Bond Cleavage of Putative Nonheme Iron(II)OOH(R) Complexes for Fenton and Enzymatic Reactions

2014 ◽  
Vol 53 (30) ◽  
pp. 7843-7847 ◽  
Author(s):  
Suhee Bang ◽  
Sora Park ◽  
Yong-Min Lee ◽  
Seungwoo Hong ◽  
Kyung-Bin Cho ◽  
...  
Keyword(s):  
Bond Cleavage ◽  
Nonheme Iron ◽  
Enzymatic Reactions

Demonstration of the Heterolytic OO Bond Cleavage of Putative Nonheme Iron(II)OOH(R) Complexes for Fenton and Enzymatic Reactions

2014 ◽  
Vol 126 (30) ◽  
pp. 7977-7981 ◽  
Author(s):  
Suhee Bang ◽  
Sora Park ◽  
Yong-Min Lee ◽  
Seungwoo Hong ◽  
Kyung-Bin Cho ◽  
...  
Keyword(s):  
Bond Cleavage ◽  
Nonheme Iron ◽  
Enzymatic Reactions

Unified View of Oxidative C–H Bond Cleavage and Sulfoxidation by a Nonheme Iron(IV)–Oxo Complex via Lewis Acid-Promoted Electron Transfer

2014 ◽  
Vol 53 (7) ◽  
pp. 3618-3628 ◽  
Author(s):  
Jiyun Park ◽  
Yuma Morimoto ◽  
Yong-Min Lee ◽  
Wonwoo Nam ◽  
Shunichi Fukuzumi
Keyword(s):  
Electron Transfer ◽  
Lewis Acid ◽  
Bond Cleavage ◽  
Nonheme Iron ◽  
Unified View

scholarly journals An analysis of reaction pathways for proton tunnelling in methylamine dehydrogenase

2006 ◽  
Vol 361 (1472) ◽  
pp. 1387-1398 ◽  
Author(s):  
Sara Nuñez ◽  
Gary Tresadern ◽  
Ian H Hillier ◽  
Neil A Burton
Keyword(s):  
Triosephosphate Isomerase ◽  
Bond Cleavage ◽  
Isotope Effects ◽  
Enzymatic Reactions ◽  
Amino Acid Residues ◽  
Methylamine Dehydrogenase ◽  
Specific Amino Acid ◽  
Quantum Tunnelling ◽  
Kinetic Isotope ◽  
Semi Empirical

Computational methods have now become a valuable tool to understand the way in which enzymes catalyse chemical reactions and to aid the interpretation of a diverse set of experimental data. This study focuses on the influence of the condensed-phase environment structure on proton transfer mechanisms, with an aim to understand how C–H bond cleavage is mediated in enzymatic reactions. We shall use a combination of molecular simulation, ab initio or semi-empirical quantum chemistry and semi-classical multidimensional tunnelling methods to consider the primary kinetic isotope effects of the enzyme methylamine dehydrogenase (MADH), with reference to an analogous application to triosephosphate isomerase. Analysis of potentially reactive conformations of the system, and correlation with experimental isotope effects, have highlighted that a quantum tunnelling mechanism in MADH may be modulated by specific amino acid residues, such as Asp428, Thr474 and Asp384.

A Mononuclear Nonheme Iron(IV)-Oxo Complex of a Substituted N4Py Ligand: Effect of Ligand Field on Oxygen Atom Transfer and C–H Bond Cleavage Reactivity

2019 ◽  
Vol 58 (3) ◽  
pp. 1862-1876 ◽  
Author(s):  
Reena Singh ◽  
Gaurab Ganguly ◽  
Sergey O. Malinkin ◽  
Serhiy Demeshko ◽  
Franc Meyer ◽  
...  
Keyword(s):  
Oxygen Atom ◽  
Bond Cleavage ◽  
Nonheme Iron ◽  
Ligand Field ◽  
Atom Transfer ◽  
Ligand Effect ◽  
Oxygen Atom Transfer

Development of 96 Multiple Injection-GC-MS Technique and Its Application in Protein Engineering of Natural and Non-Natural Enzymatic Reactions

2019 ◽  
Author(s):  
Anja Knorrscheidt ◽  
Pascal Püllmann ◽  
Eugen Schell ◽  
Dominik Homann ◽  
Erik Freier ◽  
...  
Keyword(s):  
Microtiter Plate ◽  
Axial Ligand ◽  
Cell System ◽  
Enzymatic Reactions ◽  
The Novel ◽  
Internal Standards ◽  
E Coli ◽  
Enzyme Screening ◽  
Plate Analysis ◽  
Microtiter Plate Analysis

Directed evolution requires the screening of enzyme libraries in biological matrices. Available assays are mostly substrate or enzyme specific. Chromatographic techniques like LC and GC overcome this limitation, but require long analysis times. The herein developed multiple injections in a single experimental run (MISER) using GC coupled to MS allows the injection of samples every 33 s resulting in 96-well microtiter plate analysis within 50 min. This technique is implementable in any GC-MS system with autosampling. Since the GC-MS is far less prone to ion suppression than LCMS, no chromatographic separation is required. This allows the utilisation of an internal standards and the detection of main and side-product. To prove the feasibility of the system in enzyme screening, two libraries were assessed: i) YfeX library in an E. coli whole cell system for the carbene-transfer reaction on indole revealing the novel axial ligand tryptophan, ii) a library of 616 chimeras of fungal unspecific peroxygenase (UPO) in S. cerevisiae supernatant for hydroxylation of tetralin resulting in novel constructs. The data quality and representation are automatically assessed by a new R-script.

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