molecular logic
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2022 ◽  
Author(s):  
Summaya Banu Basha ◽  
Immanuel David Charles ◽  
Nandhakumar Raju ◽  
Sakthivel Manokaran ◽  
Hemalatha Kuzhandaivel

Abstract A novel thiazole phenol conjugate 2-aminothiazolesalicylaldehyde (receptor1) was designed and synthesized for the first time through a single step process via schiff base condensation reaction. The formation of receptor1 was confirmed by FTIR, 13C NMR and 1H NMR. The receptor1 complexing with various metal ions studied through fluorescence spectroscopy showed its selectivity towards Fe2+ ion following a reverse photo induced electron transfer (PET) process compared to all other potentially competing ions. Furthermore, the receptor1 showed excellent reversibility property on adding EDTA solution. The binding affinity between receptor1-Fe2+ ion was found to be Ka = 2.22x102 M-1 and the sensing affinity of receptor1 towards Fe2+ ion at nanolevel concentration was 33.7x10-9 M which is lower than the detection limit of existing Schiff base. The receptor1 was used to detect Fe2+ ion in different water samples. Using molecular docking the chelating function of ligand (receptor1) was assessed as a potential inhibitor of NUDT5, a silence hormone signaling for breast cancer. The excellent reversibility property is used to construct INHIBIT molecular logic gate.


ACS Omega ◽  
2021 ◽  
Author(s):  
Lijun Liu ◽  
Pingping Liu ◽  
Lu Ga ◽  
Jun Ai

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