scholarly journals Spectral and DFT studies of anion bound organic receptors: Time dependent studies and logic gate applications

2017 ◽  
Vol 13 ◽  
pp. 222-238 ◽  
Author(s):  
Srikala Pangannaya ◽  
Neethu Padinchare Purayil ◽  
Shweta Dabhi ◽  
Venu Mankad ◽  
Prafulla K Jha ◽  
...  

New colorimetric receptors R1 and R2 with varied positional substitution of a cyano and nitro signaling unit having a hydroxy functionality as the hydrogen bond donor site have been designed, synthesized and characterized by FTIR, 1H NMR spectroscopy and mass spectrometry. The receptors R1 and R2 exhibit prominent visual response for F− and AcO– ions allowing the real time analysis of these ions in aqueous media. The formation of the receptor–anion complexes has been supported by UV–vis titration studies and confirmed through binding constant calculations. The anion binding process follows a first order rate equation and the calculated rate constants reveal a higher order of reactivity for AcO− ions. The 1H NMR titration and TDDFT studies provide full support of the binding mechanism. The Hg2+ and F− ion sensing property of receptor R1 has been utilized to arrive at “AND” and “INHIBIT” molecular logic gate applications.

2015 ◽  
Vol 51 (22) ◽  
pp. 4666-4669 ◽  
Author(s):  
Vaclav Havel ◽  
Mirza Arfan Yawer ◽  
Vladimir Sindelar

Bambusuril macrocycles allow qualitative and quantitative sensing of anion mixtures in water using 1H NMR spectroscopy.


2019 ◽  
Vol 95 (1-2) ◽  
pp. 79-89 ◽  
Author(s):  
Chitra Varadaraju ◽  
Mosae Selvakumar Paulraj ◽  
G. Tamilselvan ◽  
I. V. Muthu Vijayan Enoch ◽  
V. Srinivasadesikan ◽  
...  

2021 ◽  
Author(s):  
Maria Sadia ◽  
Jehangir Khan ◽  
Syed Wadood Ali Shah ◽  
Robina Naz ◽  
Faiz Ali

Abstract In current decade, curcumin and its analogues have been broadly used in biological field. However, there are relatively fewer studies regarding their fluorescence based applications for chromium ion sensing in water samples. This article, hereby, reports the synthesis, FTIR and 1H-NMR spectroscopic analyses and optical description of 2,6-bis(E)-4-methylbenzylidine)-cyclohexan-1-one (sensor C), as a fluorescence-on sensor for trace level sensing of chromium. The sensor C exhibited an ultra-selective response to chromium among the tested heavy metal ions. Different parameters were optimized like pH, effect of concentration of sensor C, metal ion and contact time. The binding stoichiometry of C :Cr3+ was calculated to be 2:1 (Job’s plot) with a significantly low detection limit of 2.3×10− 9 M. Sensor C were practically employed for detection of chromium in spiked water samples.


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.


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.


2019 ◽  
Author(s):  
Adam Eördögh ◽  
Carolina Paganini ◽  
Dorothea Pinotsi ◽  
Paolo Arosio ◽  
Pablo Rivera-Fuentes

<div>Photoactivatable dyes enable single-molecule imaging in biology. Despite progress in the development of new fluorophores and labeling strategies, many cellular compartments remain difficult to image beyond the limit of diffraction in living cells. For example, lipid droplets, which are organelles that contain mostly neutral lipids, have eluded single-molecule imaging. To visualize these challenging subcellular targets, it is necessary to develop new fluorescent molecular devices beyond simple on/off switches. Here, we report a fluorogenic molecular logic gate that can be used to image single molecules associated with lipid droplets with excellent specificity. This probe requires the subsequent action of light, a lipophilic environment and a competent nucleophile to produce a fluorescent product. The combination of these requirements results in a probe that can be used to image the boundary of lipid droplets in three dimensions with resolutions beyond the limit of diffraction. Moreover, this probe enables single-molecule tracking of lipids within and between droplets in living cells.</div>


2013 ◽  
Vol 49 (94) ◽  
pp. 11056 ◽  
Author(s):  
Raúl Gotor ◽  
Ana M. Costero ◽  
Salvador Gil ◽  
Margarita Parra ◽  
Pablo Gaviña ◽  
...  

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.


2018 ◽  
Vol 10 (20) ◽  
pp. 2317-2326 ◽  
Author(s):  
Amit Kumar Manna ◽  
Jahangir Mondal ◽  
Rukmani Chandra ◽  
Kalyani Rout ◽  
Goutam Kumar Patra

A fluorescent-colorimetric azo dye based bis-Schiff base chemosensor, L, has been developed. L can selectively detect S2− through a color change from yellow to orange in perfect aqueous solution by deprotonation mechanism.


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