Selective adsorption mechanisms of pharmaceuticals on benzene-1,4-dicarboxylic acid-based MOFs: Effects of a flexible framework, adsorptive interactions and the DFT study

2020 ◽  
Vol 720 ◽  
pp. 137449 ◽  
Author(s):  
Dujduan Sompornpailin ◽  
Chalita Ratanatawanate ◽  
Chanchai Sattayanon ◽  
Supawadee Namuangruk ◽  
Patiparn Punyapalakul
Keyword(s):  
Dicarboxylic Acid ◽  
Selective Adsorption ◽  
Dft Study ◽  
Adsorption Mechanisms ◽  
Flexible Framework

Synthesis, X-ray characterization and DFT study of a novel Fe(III)–pyridine-2,6-dicarboxylic acid N-oxide complex with unusual coordination mode

2016 ◽  
Vol 449 ◽  
pp. 44-51 ◽  
Author(s):  
Maryam Bazargan ◽  
Masoud Mirzaei ◽  
Hossein Eshtiagh-Hosseini ◽  
Joel T. Mague ◽  
Antonio Bauzá ◽  
...  
Keyword(s):  
Dicarboxylic Acid ◽  
Coordination Mode ◽  
Dft Study ◽  
X Ray

scholarly journals Analysis of Cuticular Lipids of the Pharaoh Ant (Monomorium pharaonis) and Their Selective Adsorption on Insecticidal Zeolite Powders

2018 ◽  
Vol 19 (9) ◽  
pp. 2797 ◽  
Author(s):  
Heleen Van Den Noortgate ◽  
Bert Lagrain ◽  
Tom Wenseleers ◽  
Johan Martens
Keyword(s):  
Chemical Composition ◽  
Insecticidal Activity ◽  
Selective Adsorption ◽  
Epicuticular Wax ◽  
Gas Chromatography Mass Spectrometry ◽  
Adsorption Selectivity ◽  
Adsorption Mechanisms ◽  
Pore Mouth ◽  
Adsorption Processes ◽  
Epicuticular Wax Layer

The pharaoh ant is a notorious and hard to eradicate pest, which poses a threat in hospitals, spreading pathogens and contaminating sterile equipment. When applied on ants, zeolites adsorb part of their epicuticular wax layer. The ants are then vulnerable to desiccation, since this layer regulates water exchange. We analyzed the chemical composition of this wax layer using GC-MS (Gas Chromatography-Mass Spectrometry). A hexane wash of M. pharaonis foragers resulted in the identification of 53 components, four of which were not previously defined in Monomorium species. Selective adsorption of specific compounds on zeolites assisted in the identification of compounds which could not be separated on the GC column and allowed for the identification of three additional compounds. Zeolites show different affinities for the wax compounds depending on pore structure and chemical composition. Selective adsorption of alkanes on zeolites is also investigated in the fields of refinery processes and catalysis. Pore mouth and key lock adsorption mechanisms and selectivity according to molecular weight and branching, investigated in these fields, are also involved in adsorption processes of epicuticular waxes. The insecticidal activity of a zeolite is related to adsorption selectivity rather than capacity. One of the best adsorbing zeolites showed limited insecticidal activity and can be considered as a non-lethal alternative for epicuticular wax sampling.

A DFT study of the selective adsorption of XO2 (X = C, S or N) on Ta-doped graphene

2020 ◽  
Vol 1190 ◽  
pp. 113003
Author(s):  
Na Wang ◽  
Shulin Yang ◽  
Zhigao Lan ◽  
Huoxi Xu ◽  
Zhao Wang ◽  
...  
Keyword(s):  
Selective Adsorption ◽  
Dft Study ◽  
Doped Graphene

Modulation of the driving forces for adsorption on MIL-101 analogues by decoration with sulfonic acid functional groups: superior selective adsorption of hazardous anionic dyes

2020 ◽  
Vol 49 (20) ◽  
pp. 6651-6660
Author(s):  
Ji-Min Yang ◽  
Wei Zhang ◽  
Run-Zhi Zhang ◽  
Meng-Xuan Tong
Keyword(s):  
Functional Groups ◽  
Sulfonic Acid ◽  
Driving Forces ◽  
Selective Adsorption ◽  
Anionic Dyes ◽  
Adsorption Mechanisms ◽  
Adsorption Capacities

MIL-101-SO3H analogues functionalized with –SO3H groups exhibited superior CR, MO and AC adsorption capacities because of their distinct adsorption mechanisms.

Selective Adsorption of H2S, H2O and SO2 over CH4 on Graphene Surface Decorated with Alkali Earth Metals: Insights from DFT Study

2021 ◽  
Vol 1032 ◽  
pp. 73-77
Author(s):  
Xin Zhang ◽  
Chao Fu ◽  
Ting Ting Nie ◽  
Wang Lai Cen ◽  
Mei Ling Hou
Keyword(s):  
Adsorption Energy ◽  
First Principles ◽  
Selective Adsorption ◽  
Earth Metal ◽  
Dft Study ◽  
Graphene Surface ◽  
Alkali Earth Metal ◽  
Alkali Earth ◽  
First Principles Method

The selective adsorption of CH4, H2S, SO2 and H2O by alkali earth metal (AEM) decorated double vacancy graphene (DVG) was investigated with the first principles method. The most stable adsorption configurations, adsorption energy of CH4, H2S, SO2 and H2O on AEM_DVG have been discussed.

scholarly journals Site-selective adsorption of phthalocyanine on h-BN/Rh(111) nanomesh

2014 ◽  
Vol 16 (24) ◽  
pp. 12374-12384 ◽  
Author(s):  
Marcella Iannuzzi ◽  
Fabien Tran ◽  
Roland Widmer ◽  
Thomas Dienel ◽  
Kevin Radican ◽  
...  
Keyword(s):  
Selective Adsorption ◽  
Dft Study ◽  
Site Selectivity ◽  
Site Selective

STM and DFT study of site selectivity of h-BN/Rh(111) (nanomesh) for the adsorption phthalocyanine, showing impressive agreement between experiment and theory.

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