Structure and hydration of polyvinylpyrrolidone-hydrogen peroxide

2021 ◽  
Author(s):  
Luke I. Chambers ◽  
Dimitrii S. Yufit ◽  
Mark A Fox ◽  
Osama Musa ◽  
Jonathan W Steed
Keyword(s):  
Crystal Structure ◽  
Hydrogen Peroxide ◽  
Commercially Important

The structure of the commercially important polyvinylpyrrolidone-hydrogen peroxide complex can be understood by reference to the co-crystal structure of a hydrogen peroxide complex and its mixed hydrates of a two-monomer...

scholarly journals Hydrogen peroxide‐mediated conversion of coproheme to heme b by HemQ—lessons from the first crystal structure and kinetic studies

FEBS Journal ◽  
2016 ◽  
Vol 283 (23) ◽  
pp. 4386-4401 ◽  
Author(s):  
Stefan Hofbauer ◽  
Georg Mlynek ◽  
Lisa Milazzo ◽  
Dominic Pühringer ◽  
Daniel Maresch ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Peroxide ◽  
Kinetic Studies

scholarly journals The crystal structure of hydrogen peroxide

1951 ◽  
Vol 4 (1) ◽  
pp. 15-20 ◽  
Author(s):  
S. C. Abrahams ◽  
R. L. Collin ◽  
W. N. Lipscomb
Keyword(s):  
Crystal Structure ◽  
Hydrogen Peroxide

scholarly journals Fluorophotometric Determination of Hydrogen Peroxide and Other Reactive Oxygen Species with Fluorescein Hydrazide (FH) and Its Crystal Structure

2008 ◽  
Vol 56 (7) ◽  
pp. 977-981 ◽  
Author(s):  
Ryosuke Nakahara ◽  
Tsuyoshi Fujimoto ◽  
Mitsunobu Doi ◽  
Kanako Morita ◽  
Takako Yamaguchi ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Reactive Oxygen Species ◽  
Hydrogen Peroxide ◽  
Reactive Oxygen ◽  
Oxygen Species

Computer Simulation of Xe adsorption in Zeolite Y

1996 ◽  
Vol 431 ◽  
Author(s):  
Vishwas Gupta ◽  
H. Ted Davis ◽  
Alon V. McCormick
Keyword(s):  
Crystal Structure ◽  
Computer Simulation ◽  
Computer Modeling ◽  
Potential Field ◽  
Molecular Level ◽  
Zeolite Y ◽  
Strong Link ◽  
Adsorption Sites ◽  
Commercially Important ◽  
And Diffusion

AbstractComputer modeling of fluids in zeolites can provide a detailed molecular level understanding of the process of adsorption and diffusion under the influence of the 3-D potential field and the confinement offered by the crystal structure. We have shown that there is a strong link between the location, geometry and energetics of sites and the observed thermodynamics and spectroscopy of the adsorbates. Here we report on the modeling of Xe in zeolite Y, which is of interest both because it is commercially important and because it offers two distinct adsorption sites.

The crystal structure of peroxymyoglobin generated through cryoradiolytic reduction of myoglobin compound III during data collection

2008 ◽  
Vol 412 (2) ◽  
pp. 257-264 ◽  
Author(s):  
Hans-Petter Hersleth ◽  
Ya-Wen Hsiao ◽  
Ulf Ryde ◽  
Carl Henrik Görbitz ◽  
K. Kristoffer Andersson
Keyword(s):  
Crystal Structure ◽  
Hydrogen Peroxide ◽  
Data Collection ◽  
Intermediate Compound ◽  
Crystallographic Data ◽  
X Rays ◽  
Biologically Relevant ◽  
Short Annealing ◽  
High Valent ◽  
Compound Ii

Myoglobin has the ability to react with hydrogen peroxide, generating high-valent complexes similar to peroxidases (compounds I and II), and in the presence of excess hydrogen peroxide a third intermediate, compound III, with an oxymyoglobin-type structure is generated from compound II. The compound III is, however, easily one-electron reduced to peroxymyoglobin by synchrotron radiation during crystallographic data collection. We have generated and solved the 1.30 Å (1 Å=0.1 nm) resolution crystal structure of the peroxymyoglobin intermediate, which is isoelectric to compound 0 and has a Fe–O distance of 1.8 Å and O–O bond of 1.3 Å in accordance with a FeII–O–O− (or FeIII–O–O2−) structure. The generation of the peroxy intermediate through reduction of compound III by X-rays shows the importance of using single-crystal microspectrophotometry when doing crystallography on metalloproteins. After having collected crystallographic data on a peroxy-generated myoglobin crystal, we were able (by a short annealing) to break the O–O bond leading to formation of compound II. These results indicate that the cryoradiolytic-generated peroxymyoglobin is biologically relevant through its conversion into compound II upon heating. Additionally, we have observed that the Xe1 site is occupied by a water molecule, which might be the leaving group in the compound II to compound III reaction.

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