tempo has been researched along with acetyl-acetonate* in 2 studies
2 other study(ies) available for tempo and acetyl-acetonate
| Article | Year |
|---|---|
A novel colorimetric detection of glutathione based on stable free radical TEMPO oxidation of 3,3',5,5'-tetramethylbenzizine (TMB) via Copper(II) acetylacetonate catalysis.
In this work, a new colorimetric method for the determination of Glutathione (GSH) on the basis of stable free radical 2,2,6,6 - tetramethylpiperidine - 1 - oxyl (TEMPO) oxidation of 3,3',5,5'-tetramethylbenzizine (TMB) via copper(II) acetylacetonate (Cu(acac) Topics: Catalysis; Colorimetry; Copper; Glutathione; Humans; Hydrogen Peroxide; Limit of Detection | 2023 |
Unrestricted Hartree-Fock based on the fragment molecular orbital method: energy and its analytic gradient.
A consideration of the surrounding environment is necessary for a meaningful analysis of the reaction activity in large molecular systems. We propose an approach to perform unrestricted Hartree-Fock (UHF) calculations within the framework of the fragment molecular orbital (FMO) method (FMO-UHF) to study large systems with unpaired electrons. Prior to an energy analysis one has to optimize geometry, which requires an accurate analytic energy gradient. We derive the FMO-UHF energy and its analytic gradient and implement them into GAMESS. The performance of FMO-UHF is evaluated for a solvated organic molecule and a solvated metal complex, as well as for the active part of a protein, in terms of energy, gradient, and geometry optimization. Topics: Cyclic N-Oxides; Hydroxybutyrates; Manganese; Molecular Structure; Organometallic Compounds; Pentanones; Peptides; Quantum Theory; Solubility | 2012 |