Membranes Assembled from Narrow Carbon Nanotubes Block Proton Transport and Can Form Effective Nano-Filtration Devices

2006 ◽  
Vol 3 (2) ◽  
pp. 237-242 ◽  
Author(s):  
Anton Burykin ◽  
Arieh Warshel

The use of carbon nanotubes in various filtration devices is a promising current direction in nano-technology. The direction of progress is, however, far from obvious when it involves devices that can allow water to be transferred while blocking proton transport. This problem is addressed in the present paper by exploiting the perspective that emerge from our recent studies of the mechanism of proton blockage in aquaporins. The paper focuses on a computational study of the free energy barriers for transfer of proton and water molecules through the membrane assembled from the double wall (5;5)@(10;10) armchair carbon nanotubes. It shows that such system can be used as a water nano filter that allows water transfer while blocking protons. Thus such carbon nanotube membrane will work as an artificial analog of aquaporin water channel. The general mechanisms of proton transfer/blockage in biological and artificial nanosystems are also discussed.

2019 ◽  
Vol 5 (8) ◽  
pp. eaax1803 ◽  
Author(s):  
Chai C. Gopalasingam ◽  
Rachel M. Johnson ◽  
George N. Chiduza ◽  
Takehiko Tosha ◽  
Masaki Yamamoto ◽  
...  

Quinol-dependent nitric oxide reductases (qNORs) are membrane-integrated, iron-containing enzymes of the denitrification pathway, which catalyze the reduction of nitric oxide (NO) to the major ozone destroying gas nitrous oxide (N2O). Cryo–electron microscopy structures of active qNOR from Alcaligenes xylosoxidans and an activity-enhancing mutant have been determined to be at local resolutions of 3.7 and 3.2 Å, respectively. They unexpectedly reveal a dimeric conformation (also confirmed for qNOR from Neisseria meningitidis) and define the active-site configuration, with a clear water channel from the cytoplasm. Structure-based mutagenesis has identified key residues involved in proton transport and substrate delivery to the active site of qNORs. The proton supply direction differs from cytochrome c–dependent NOR (cNOR), where water molecules from the cytoplasm serve as a proton source similar to those from cytochrome c oxidase.


2009 ◽  
Vol 113 (30) ◽  
pp. 10322-10330 ◽  
Author(s):  
Biswaroop Mukherjee ◽  
Prabal K. Maiti ◽  
Chandan Dasgupta ◽  
A. K. Sood

Small ◽  
2012 ◽  
Vol 8 (15) ◽  
pp. 2327-2327
Author(s):  
Hector Villagarcia ◽  
Enkeleda Dervishi ◽  
Kanishka de Silva ◽  
Alexandru S. Biris ◽  
Mariya V. Khodakovskaya

2010 ◽  
Author(s):  
E. C. Moreira ◽  
G. D. Saraiva ◽  
A. G. Souza Filho ◽  
G. Braunstein ◽  
H. Muramatsu ◽  
...  

2021 ◽  
Vol 21 (11) ◽  
pp. 5499-5509
Author(s):  
Rosely Maria dos Santos Cavaleiro ◽  
Tiago da Silva Arouche ◽  
Phelipe Seiichi Martins Tanoue ◽  
Tais Souza Sá Pereira ◽  
Raul Nunes de Carvalho Junior ◽  
...  

Hormones are a dangerous group of molecules that can cause harm to humans. This study based on classical molecular dynamics proposes the nanofiltration of wastewater contaminated by hormones from a computer simulation study, in which the water and the hormone were filtered in two single-walled nanotube compositions. The calculations were carried out by changing the intensities of the electric field that acted as a force exerting pressure on the filtration along the nanotube, in the simulation time of 100 ps. The hormones studied were estrone, estradiol, estriol, progesterone, ethinylestradiol, diethylbestrol, and levonorgestrel in carbon nanotubes (CNTs) and boron nitride (BNNTs). The most efficient nanofiltrations were for fields with low intensities in the order of 10-8 au and 10-7 au. The studied nanotubes can be used in membranes for nanofiltration in water treatment plants due to the evanescent field potential caused by the action of the electric field inside. Our data showed that the action of EF in conjunction with the van der Walls forces of the nanotubes is sufficient to generate the attractive potential. Evaluating the transport of water molecules in CNTs and BNNTs, under the influence of the electric field, a sequence of simulations with the same boundary conditions was carried out, seeking to know the percentage of water molecules filtered in the nanotubes.


2017 ◽  
Vol 19 (35) ◽  
pp. 24059-24066 ◽  
Author(s):  
Arkamita Bandyopadhyay ◽  
Dibyajyoti Ghosh ◽  
Swapan K. Pati

Computational study demonstrates transition metal incorporated nitrogen doped carbon nanotubes can efficiently trap various harmful insecticides at ambient condition.


2002 ◽  
Vol 66 (7) ◽  
Author(s):  
S. Bandow ◽  
G. Chen ◽  
G. U. Sumanasekera ◽  
R. Gupta ◽  
M. Yudasaka ◽  
...  

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