Theoretical studies on kinetics of singlet oxygen in nonthermal plasma

2004 ◽  
Author(s):  
Mikhail P. Frolov ◽  
Andrei A. Ionin ◽  
Andrei A. Kotkov ◽  
Igor V. Kochetov ◽  
Anatolii P. Napartovich ◽  
...  
Keyword(s):  
Singlet Oxygen ◽  
Nonthermal Plasma ◽  
Theoretical Studies ◽  
Kinetics Of

Experimental and theoretical studies of glass and crystallization kinetics of semiconducting As40Se40Ag20 chalcogenide glass

2021 ◽  
Vol 608 ◽  
pp. 412745
Author(s):  
Mohamed N. Abd-el Salam ◽  
E.R. Shaaban ◽  
F. Benabdallah ◽  
Abdelwahab M.A. Hussein ◽  
Mansour Mohamed
Keyword(s):  
Chalcogenide Glass ◽  
Crystallization Kinetics ◽  
Theoretical Studies ◽  
Kinetics Of ◽  
Experimental And Theoretical Studies

Toward high-level theoretical studies on the reaction kinetics of PAHs growth based on HACA pathway: An ONIOM[G3(MP2,CC)//B3LYP:DFT] method developed

Fuel ◽  
2021 ◽  
Vol 301 ◽  
pp. 121052
Author(s):  
Chengcheng Ao ◽  
Shanshan Ruan ◽  
Wei He ◽  
Yi Liu ◽  
Chenliang He ◽  
...  
Keyword(s):  
Reaction Kinetics ◽  
Theoretical Studies ◽  
High Level ◽  
Kinetics Of

Towards high-level theoretical studies of large biodiesel molecules: an ONIOM/RRKM/Master-equation approach to the isomerization and dissociation kinetics of methyl decanoate radicals

2019 ◽  
Vol 21 (9) ◽  
pp. 5232-5242 ◽  
Author(s):  
Qinghui Meng ◽  
Yicheng Chi ◽  
Lidong Zhang ◽  
Peng Zhang ◽  
Liusi Sheng
Keyword(s):  
Theoretical Calculations ◽  
Theoretical Studies ◽  
Equation Approach ◽  
Dissociation Kinetics ◽  
Master Equation Approach ◽  
High Layer ◽  
High Level ◽  
Kinetics Of ◽  
Oniom Method ◽  
Methyl Decanoate

The isomerization and dissociation reactions of methyl decanoate (MD) radicals were theoretically investigated by using high-level theoretical calculations based on a two-layer ONIOM method, employing the QCISD(T)/CBS method for the high layer and the M06-2X/6-311++G(d,p) method for the low layer.

On the Mechanism of the Acridine Orange Sensitized Photodynamic Inactivation of Lysozyme

1976 ◽  
Vol 31 (1-2) ◽  
pp. 29-39 ◽  
Author(s):  
Peter Rosenkranz ◽  
I. Basic Kinetics ◽  
Hartmut Schmidt
Keyword(s):  
Singlet Oxygen ◽  
Acridine Orange ◽  
Ph Value ◽  
Photodynamic Inactivation ◽  
Rate Process ◽  
First Order ◽  
Quenching Process ◽  
Pseudo First Order ◽  
Kinetics Of ◽  
Excited Oxygen

The kinetics of the photodynamic desactivation of lysozyme in presence of acridine orange as the sensitizer have been investigated in detail varying oxygen, protein, dye concentration, ionic strength and pH value. The kinetics can be approximately described as an over all pseudo-first- order rate process. Changing the solvent from water to D2O or by quenching experiments in pres­ence of azide ions it could be shown that the desactivation of lysozyme is caused exclusively by singlet oxygen. The excited oxygen occurs via the triplet state of the dye with a rate constant considerably lower than that to be expected for a diffusionally controlled reaction. Singlet oxygen reacts chemically (desactivation, k=2.9 × 107 ᴍ-1 sec-1) and physically (quenching process, k = 4.1 × 108 ᴍ-1sec-1) with the enzyme. The kinetical analysis shows that additional chemical reactions between singlet oxygen and lysozyme would have only little influence on the kinetics of the desactivation as long as their products would be enzymatically active and their kinetical constants would be less than about 1 × 108 ᴍ-1 sec-1.

Atmospheric chemistry of alkyl iodides: theoretical studies on the mechanisms and kinetics of CH3I/C2H5I + NO3 reactions

RSC Advances ◽  
2015 ◽  
Vol 5 (107) ◽  
pp. 88087-88095 ◽  
Author(s):  
Feng-Yang Bai ◽  
Xu Wang ◽  
Yan-Qiu Sun ◽  
Xiu-Mei Pan
Keyword(s):  
Atmospheric Chemistry ◽  
Theoretical Basis ◽  
Theoretical Studies ◽  
Alkyl Iodides ◽  
Kinetics Of ◽  
Sound Theoretical Basis

Mechanisms and kinetics of the reactions of the NO3 radical with CH3I and C2H5I have been investigated from a sound theoretical basis.

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