Computational Study on Compound I Redox-Active Species in Horseradish Peroxydase Enzyme: Conformational Fluctuations and Solvation Effects

2010 ◽  
Vol 114 (20) ◽  
pp. 6817-6824 ◽  
Author(s):  
Costantino Zazza ◽  
Amedeo Palma ◽  
Nico Sanna ◽  
Simone Tatoli ◽  
Massimiliano Aschi
Keyword(s):  
Computational Study ◽  
Active Species ◽  
Compound I ◽  
Solvation Effects ◽  
Redox Active

A computational study of pyrazinamide: Tautomerism, acid–base properties, micro-solvation effects and acid hydrolysis mechanism

2014 ◽  
Vol 1046 ◽  
pp. 30-41 ◽  
Author(s):  
Mwadham M. Kabanda ◽  
Van Tan Tran ◽  
Quoc Tri Tran ◽  
Eno E. Ebenso
Keyword(s):  
Acid Hydrolysis ◽  
Computational Study ◽  
Acid Base ◽  
Hydrolysis Mechanism ◽  
Solvation Effects ◽  
Base Properties

DFT Studies of Solvation Effects on the Nanosize Bare, Thiolated, and Redox Active Ligated Au55 Cluster

2010 ◽  
Vol 114 (38) ◽  
pp. 15941-15950 ◽  
Author(s):  
Ganga Periyasamy ◽  
Engin Durgun ◽  
Jean-Yves Raty ◽  
F. Remacle
Keyword(s):  
Dft Studies ◽  
Solvation Effects ◽  
Redox Active

scholarly journals Biochemical characterization of the purple form of Marinobacter hydrocarbonoclasticus nitrous oxide reductase

2012 ◽  
Vol 367 (1593) ◽  
pp. 1204-1212 ◽  
Author(s):  
Simone Dell'Acqua ◽  
Sofia R. Pauleta ◽  
José J. G. Moura ◽  
Isabel Moura
Keyword(s):  
Nitrous Oxide ◽  
Redox State ◽  
Biochemical Characterization ◽  
Specific Activity ◽  
Active Species ◽  
Nitrous Oxide Reductase ◽  
Strictly Anaerobic ◽  
Prolonged Incubation ◽  
Redox Active ◽  
Marinobacter Hydrocarbonoclasticus

Nitrous oxide reductase (N 2 OR) catalyses the final step of the denitrification pathway—the reduction of nitrous oxide to nitrogen. The catalytic centre (CuZ) is a unique tetranuclear copper centre bridged by inorganic sulphur in a tetrahedron arrangement that can have different oxidation states. Previously, Marinobacter hydrocarbonoclasticus N 2 OR was isolated with the CuZ centre as CuZ*, in the [1Cu 2+ : 3Cu + ] redox state, which is redox inert and requires prolonged incubation under reductive conditions to be activated. In this work, we report, for the first time, the isolation of N 2 OR from M. hydrocarbonoclasticus in the ‘purple’ form, in which the CuZ centre is in the oxidized [2Cu 2+ : 2Cu + ] redox state and is redox active. This form of the enzyme was isolated in the presence of oxygen from a microaerobic culture in the presence of nitrate and also from a strictly anaerobic culture. The purple form of the enzyme was biochemically characterized and was shown to be a redox active species, although it is still catalytically non-competent, as its specific activity is lower than that of the activated fully reduced enzyme and comparable with that of the enzyme with the CuZ centre in either the [1Cu 2+ : 3Cu + ] redox state or in the redox inactive CuZ* state.

Imaging concentration profiles of redox-active species in open-circuit corrosion processes with the scanning electrochemical microscope

2004 ◽  
Vol 6 (11) ◽  
pp. 1212-1215 ◽  
Author(s):  
A.C. Bastos ◽  
A.M. Simões ◽  
S. González ◽  
Y. González-García ◽  
R.M. Souto
Keyword(s):  
Active Species ◽  
Open Circuit ◽  
Concentration Profiles ◽  
Scanning Electrochemical Microscope ◽  
Redox Active

Redox chemistry of CeO2 nanoparticles in aquatic systems containing Cr(vi)(aq) and Fe2+ ions

2019 ◽  
Vol 6 (7) ◽  
pp. 2269-2280
Author(s):  
Jessica R. Ray ◽  
Xuanhao Wu ◽  
Chelsea W. Neil ◽  
Haesung Jung ◽  
Zhichao Li ◽  
...  
Keyword(s):  
Surface Chemistry ◽  
Redox Chemistry ◽  
Industrial Applications ◽  
Active Species ◽  
Ceo2 Nanoparticles ◽  
Aquatic Systems ◽  
Aquatic Environments ◽  
Catalytic Activities ◽  
Redox Active

CeO2 nanoparticles are extensively used in industrial applications owing to their high redox-catalytic activities and, as a result, may appear in aquatic environments where they undergo significant surface chemistry transformation with other redox-active species.

Polyaniline membrane based potentiometric sensor for ascorbic acid, other redox active species and chloride

2007 ◽  
Vol 611 (1-2) ◽  
pp. 162-168 ◽  
Author(s):  
N.M. Kocherginsky ◽  
Zheng Wang
Keyword(s):  
Ascorbic Acid ◽  
Active Species ◽  
Potentiometric Sensor ◽  
Redox Active

scholarly journals On dithiothreitol (DTT) as a measure of oxidative potential for ambient particles: evidence for the importance of soluble transition metals

2012 ◽  
Vol 12 (5) ◽  
pp. 11317-11350 ◽  
Author(s):  
J. G. Charrier ◽  
C. Anastasio
Keyword(s):  
Particulate Matter ◽  
Transition Metals ◽  
Fine Particulate Matter ◽  
Chemical Species ◽  
Past Research ◽  
Active Species ◽  
Oxidative Potential ◽  
Adverse Health Effects ◽  
Redox Active ◽  
Small Set

Abstract. The rate of consumption of dithiothreitol (DTT) is increasingly used to measure the oxidative potential of particulate matter (PM), which has been linked to the adverse health effects of PM. While several quinones are known to be very reactive in the DTT assay, it is unclear what other chemical species might contribute to the loss of DTT in PM extracts. To address this question, we quantify the rate of DTT loss from individual redox-active species that are common in ambient particulate matter. While most past research has indicated that the DTT assay is not sensitive to metals, our results show that seven out of the ten transition metals tested do oxidize DTT, as do three out of the five quinones tested. While metals are less efficient at oxidizing DTT compared to the most reactive quinones, concentrations of soluble transition metals in fine particulate matter are generally much higher than those of quinones. The net result is that metals appear to dominate the DTT response for typical ambient PM2.5 samples. Based on particulate concentrations of quinones and soluble metals from the literature, and our measured DTT responses for these species, we estimate that for typical fine particle samples approximately 80% of DTT loss is from transition metals (especially copper and manganese), while quinones account for approximately 20%. We find a similar result for DTT loss measured in a small set of PM2.5 samples from the San Joaquin Valley of California. Because of the important contribution from metals, we also tested how the DTT assay is affected by EDTA, a chelator that is sometimes used in the assay. EDTA significantly suppresses the response from both metals and quinones; we therefore recommend that EDTA should not be included in the DTT assay.

scholarly journals Evidence That Compound I Is the Active Species in Both the Hydroxylase and Lyase Steps by Which P450scc Converts Cholesterol to Pregnenolone: EPR/ENDOR/Cryoreduction/Annealing Studies

Biochemistry ◽  
2015 ◽  
Vol 54 (48) ◽  
pp. 7089-7097 ◽  
Author(s):  
Roman Davydov ◽  
Natallia Strushkevich ◽  
David Smil ◽  
Aliaksei Yantsevich ◽  
Andrey Gilep ◽  
...  
Keyword(s):  
Active Species ◽  
Compound I

Novel gold-decorated polyaniline derivatives as redox-active species for simultaneous detection of three biomarkers of lung cancer

2015 ◽  
Vol 3 (14) ◽  
pp. 2867-2872 ◽  
Author(s):  
Liyuan Wang ◽  
Na Liu ◽  
Zhanfang Ma
Keyword(s):  
Lung Cancer ◽  
Simultaneous Detection ◽  
Active Species ◽  
Tumor Biomarkers ◽  
Electrochemical Immunoassay ◽  
Redox Active

Novel redox-active species including gold-poly(o-aminophenol) and gold-poly(p-phenylenediamine) were synthesized and applied for the electrochemical immunoassay of three tumor biomarkers.

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