Rational Design of Azo-Azomethine Receptors for Sensing of Inorganic Fluoride: Construction of Molecular Logic Gates and DFT Study

2017 ◽  
Vol 70 (12) ◽  
pp. 1254
Author(s):  
Hamid Khanmohammadi ◽  
Khatereh Rezaeian ◽  
Nafiseh Shabani

New azo-azomethine receptors, HLn (n = 1–3), have been synthesised via condensation reaction of 5-(4-X-phenyl)-azo-salicylaldehyde (X = NO2, Cl and CH3) with (4-nitrobenzylidene)hydrazine. The receptor with a p-NO2 substituent on the aromatic ring of the azo moiety (HL1) has excellent sensitivity and selectivity towards basic anions with proper discrimination between F− and AcO− or H2PO4− in DMSO–water (4 : 1). A Job’s plot displays a 1 : 1 stoichiometry between HL1 and F− alone with a detection limit of 0.737 μM for fluoride ions. The solvatochromic behaviour of HL1 was probed by studying its UV-vis spectra in four pure organic solvents of different polarities and a meaningful correlation was observed. Furthermore, HL1 was used for detection of inorganic fluoride in toothpaste. The systematic density functional theory (DFT) and time dependent-DFT calculations have been carried out to investigate the mechanism of colourimetric sensing of fluoride ion by HL1 in the gas phase and in solution. Moreover, by using F− and H+ as chemical inputs, and the absorbance as output, a INHIBIT logic gate was constructed, which exhibits ‘Write–Read–Erase–Read’ ability without obvious degradation in its optical output.

2021 ◽  
Author(s):  
Bei Li ◽  
Dongsheng Zhao ◽  
Feng Wang ◽  
Xiaoxian Zhang ◽  
Wenqian Li ◽  
...  

This review covers the latest advancements of molecular logic gates based on LMOF. The classification, design strategies, related sensing mechanisms, future developments, and challenges of LMOFs-based logic gates are discussed.


2019 ◽  
Vol 43 (32) ◽  
pp. 12734-12743 ◽  
Author(s):  
Mahesh P. Bhat ◽  
Madhuprasad Kigga ◽  
Harshith Govindappa ◽  
Pravin Patil ◽  
Ho-Young Jung ◽  
...  

A reversible chemosensor for the development of a multi-input molecular logic gate was shown.


2015 ◽  
Vol 13 (5) ◽  
pp. 1294-1306 ◽  
Author(s):  
Anthony Romieu

This feature article focuses on the recent development of “AND” luminescent molecular logic gates, in which the optical output is produced in response to multiple (bio)chemical inputs and through cascades of covalent bond-modifying reactions triggered by target (bio)analytes, for biosensing and bioimaging applications in complex media.


RSC Advances ◽  
2019 ◽  
Vol 9 (44) ◽  
pp. 25919-25931 ◽  
Author(s):  
Kalyani Rout ◽  
Amit Kumar Manna ◽  
Meman Sahu ◽  
Jahangir Mondal ◽  
Sunil K. Singh ◽  
...  

A novel triazole-based bis Schiff base colorimetric and fluorescent chemosensor (L) has been designed, synthesized and characterized. The chemo-sensor L shows its application potential in the detection of Cu2+ and Pb2+ in living cells and building molecular logic gate.


RSC Advances ◽  
2015 ◽  
Vol 5 (10) ◽  
pp. 7647-7653 ◽  
Author(s):  
Deblina Sarkar ◽  
Ajoy Kumar Pramanik ◽  
Tapan Kumar Mondal

New coumarin based molecular switch for Zn2+ and Cu2+ presents a tunable system comprising of two INHIBIT logic gates with Zn2+ and Cu2+ or Zn2+ and EDTA as chemical inputs. IMPLICATION logic gate is obtained with Cu2+ and EDTA as chemical inputs.


2017 ◽  
Vol 53 (87) ◽  
pp. 11869-11872 ◽  
Author(s):  
Arianna Casula ◽  
Paloma Begines ◽  
Alexandre Bettoschi ◽  
Josè G. Fernandez-Bolaños ◽  
Francesco Isaia ◽  
...  

The first example of a molecular logic gate based on selenourea/anion host–guest interaction that performs a ternary logic operation using an 1H-NMR easy to read response output is described here.


2014 ◽  
Vol 6 (22) ◽  
pp. 9015-9021 ◽  
Author(s):  
Yan Liang ◽  
Weizhou Liu ◽  
Hui Zhang ◽  
Fang Chen

Schematic diagram describing the working process of molecular logic gates (a) “NOR”, (b) “OR”, and (c) “INHIBIT”, and (d) the possible binding modes between PA and Fe3+.


2017 ◽  
Vol 53 (68) ◽  
pp. 9494-9497 ◽  
Author(s):  
Xianzhi Chai ◽  
You-Xin Fu ◽  
Tony D. James ◽  
Junji Zhang ◽  
Xiao-Peng He ◽  
...  

The synthesis of a bis-glycosyl diarylethene derivative by click chemistry for the water-compatible photochromism and operation of molecular logic gates is reported.


2019 ◽  
Vol 11 (15) ◽  
pp. 2033-2040
Author(s):  
Yimei Ma ◽  
Xiaoyong Jin ◽  
Yonglei Xing ◽  
Gang Ni ◽  
Juan Peng

Molecularly imprinted dual-emission quantum dot composites (DEQDs@MIPs) were prepared and used to construct NAND molecular logic gates for the simultaneous detection of SS and KS.


2021 ◽  
Author(s):  
Yi Guo ◽  
Peng Zhao ◽  
Gang Chen

Abstract Based on the density functional theory combined with the non-equilibrium Green’s function methodology, we have studied the thermally-driven spin-dependent transport properties of a combinational molecular junction consisting of a planar four-coordinate Fe molecule and a 15,16-dinitrile dihydropyrene/cyclophanediene molecule with single-walled carbon nanotube bridge and electrode. Our results show that the magnetic field and light can effectively regulate the thermally-driven spin-dependent currents. Perfect thermal spin-filtering effect and good thermal switching effect are realized. The results are explained by the Fermi-Dirac distribution function, the spin-resolved transmission spectra, the spatial distribution of molecular projected self-consistent Hamiltonian orbitals, and the spin-resolved current spectra. On the basis of these thermally-driven spin-dependent transport properties, we further design three basic thermal spin molecular AND, OR and NOT gates.


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