Progress in bioremediation processes. A computational study of the interaction of a novel enzyme with selected Polycyclic Aromatic Hydrocarbons

2010 ◽  
Vol 150 ◽  
pp. 567-567
Author(s):  
V. Librando ◽  
M. Pappalardo ◽  
Z. Minniti
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Computational Study ◽  
Polycyclic Aromatic ◽  
Bioremediation Processes

Computational Study of the Effect of Dispersion Interactions on the Thermochemistry of Aggregation of Fused Polycyclic Aromatic Hydrocarbons as Model Asphaltene Compounds in Solution

2014 ◽  
Vol 118 (5) ◽  
pp. 896-908 ◽  
Author(s):  
Leonardo Moreira da Costa ◽  
Stanislav R. Stoyanov ◽  
Sergey Gusarov ◽  
Peter R. Seidl ◽  
José Walkimar de M. Carneiro ◽  
...  
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Computational Study ◽  
Dispersion Interactions ◽  
Polycyclic Aromatic

Effects of Molecular Weight and Orientation on the Membrane Permeation and Partitioning of Polycyclic Aromatic Hydrocarbons: A Computational Study

2021 ◽  
Author(s):  
Zhou Mi ◽  
Hong Yang ◽  
Huarong Li ◽  
Lingzhi Gu ◽  
Young Zhou ◽  
...  
Keyword(s):  
Molecular Weight ◽  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Computational Study ◽  
Clear Understanding ◽  
Membrane Permeation ◽  
Polycyclic Aromatic

Membrane permeation and partitioning of polycyclic aromatic hydrocarbons (PAHs) are crucial for their carcinogenicity and mutagenicity. However, a clear understanding of this process is still rare due to the difficulty...

scholarly journals A Molecular Beams and Computational Study on the Barrierless Gas Phase Formation of (Iso)Quinoline in Low Temperature Extraterrestrial Environments

2021 ◽  
Author(s):  
Long Zhao ◽  
Matthew Prendergast ◽  
Ralf I. Kaiser ◽  
Bo Xu ◽  
Wenchao Lu ◽  
...  
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Low Temperature ◽  
Gas Phase ◽  
Aromatic Hydrocarbons ◽  
Computational Study ◽  
Molecular Beams ◽  
Reaction Pathways ◽  
Complex Reaction ◽  
Polycyclic Aromatic ◽  
Remarkable Progress

Despite remarkable progress toward the understanding of the formation pathways leading to polycyclic aromatic hydrocarbons (PAHs) in combustion systems and in deep space, the complex reaction pathways leading to nitrogen-substituted...

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