Investigating the Effect of the Presence and Arrangement of Functional Groups at the Carbon Sorbent Surface on Adsorption of Nitrogen-Containing Compounds

2019 ◽  
Vol 55 (6) ◽  
pp. 1030-1034
Author(s):  
D. D. Matyushin ◽  
A. N. Ukleina ◽  
I. A. Polunina ◽  
A. K. Buryak
RSC Advances ◽  
2019 ◽  
Vol 9 (62) ◽  
pp. 36066-36074
Author(s):  
Oksana Tsendra ◽  
A. Daniel Boese ◽  
Olexandr Isayev ◽  
Leonid Gorb ◽  
Andrea Michalkova Scott ◽  
...  

Adsorption energies of different nitrogen-containing compounds on two hydroxylated (001) and (100) quartz surfaces are computed.


2020 ◽  
Vol 49 (36) ◽  
pp. 12610-12621 ◽  
Author(s):  
Shibiao Zong ◽  
Simin Huang ◽  
Xue-Rong Shi ◽  
Chunyan Sun ◽  
Shusheng Xu ◽  
...  

van der Waals density functional theory calculations are applied to investigate the adsorption of NO, NO2, NH3, C5H5N, C4H5N, and C4H4O on pristine and five X-functionalized HKUST-1 (X = CH3, CH3O, NH2, NO2, and Br) by employing periodic models.


2014 ◽  
Vol 118 (6) ◽  
pp. 3023-3034 ◽  
Author(s):  
Oksana Tsendra ◽  
Andrea Michalkova Scott ◽  
Leonid Gorb ◽  
A. Daniel Boese ◽  
Frances C. Hill ◽  
...  

2020 ◽  
Vol 27 (26) ◽  
pp. 4297-4343 ◽  
Author(s):  
Franko Burčul ◽  
Ivica Blažević ◽  
Mila Radan ◽  
Olivera Politeo

: Essential oils constituents are a diverse family of low molecular weight organic compounds with comprehensive biological activity. According to their chemical structure, these active compounds can be divided into four major groups: terpenes, terpenoids, phenylpropenes, and "others". In addition, they may contain diverse functional groups according to which they can be classified as hydrocarbons (monoterpenes, sesquiterpenes, and aliphatic hydrocarbons); oxygenated compounds (monoterpene and sesquiterpene alcohols, aldehydes, ketones, esters, and other oxygenated compounds); and sulfur and/or nitrogen containing compounds (thioesters, sulfides, isothiocyanates, nitriles, and others). : Compounds that act as cholinesterase inhibitors still represent the only pharmacological treatment of Alzheimer´s disease. Numerous in vitro studies showed that some compounds, found in essential oils, have a promising cholinesterase inhibitory activity, such as α-pinene, δ-3-carene, 1,8-cineole, carvacrol, thymohydroquinone, α- and β-asarone, anethole, etc. : Essential oils constituents are a diverse family of low molecular weight organic compounds with comprehensive biological activity. According to their chemical structure, these active compounds can be divided into four major groups: terpenes, terpenoids, phenylpropenes, and "others". In addition, they may contain diverse functional groups according to which they can be classified as hydrocarbons (monoterpenes, sesquiterpenes, and aliphatic hydrocarbons); oxygenated compounds (monoterpene and sesquiterpene alcohols, aldehydes, ketones, esters, and other oxygenated compounds); and sulfur and/or nitrogen containing compounds (thioesters, sulfides, isothiocyanates, nitriles, and others).


2009 ◽  
Vol 5 (6) ◽  
pp. 66 ◽  
Author(s):  
T. I. Dolgikh ◽  
L. G. Pyanova ◽  
O. N. Baklanova ◽  
V. T. Dolgikh ◽  
L. S. Luzyanova ◽  
...  

Author(s):  
A. I. Soldatov ◽  
S.  I. Borovik

The influence of the carbon sorbent surface structure and the affinity energy of a molecule to an electron on the adsorption of poly- and heterocyclic aromatic hydrocarbons is established. By adjusting the reducing ability of the carbon material, it is possible to control the process of adsorption and the selectivity of the sorbent relative to condensed aromatic systems. Ill. 2. Ref. 10. Tab. 3.


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