6310-10-7Relevant articles and documents
Rational Design of Azo-Azomethine Receptors for Sensing of Inorganic Fluoride: Construction of Molecular Logic Gates and DFT Study
Khanmohammadi, Hamid,Rezaeian, Khatereh,Shabani, Nafiseh
, p. 1254 - 1262 (2017)
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 0.737M 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.
Synthesis, in-vitro and in-silico studies of triazinoindole bearing bis-Schiff base as β-glucuronidase inhibitors
Ahmad, Shakeel,Aziz, Aamir,Khan, Fahad,Rahim, Fazal,Sarfraz, Maliha,Taha, Muhammad,Ullah, Hayat,Wadood, Abdul
, (2021/07/16)
Triazinoindole bearing bis-Schiff base analogs (1–20) were synthesized by triazinoindole-thione ring formation, triazinoindole-thiol-phenylethanone, followed by triazinoindole bis-Schiff base formation. Synthesized analogs showed β-glucuronidase potential with IC50 value ranging between 2.60 ± 0.10 to 55.40 ± 1.60 μM as compared to standard D-saccharic acid 1,4-lactone (IC50 = 48.10 ± 1.2 μM). Analog 20 was the most potent one with IC50 value 2.60 ± 0.10 μM. Analogs 17, 4 showed IC50 values 5.20 ± 0.20 and 5.70 ± 0.20 μM respectively and withstand 2nd and 3rd ranked scaffolds among the synthesized analogs. All other sixteen analogs showed many-fold better potency with IC50 values ranging from 7.9 ± 0.2 to 48.1 ± 1.2 μM. The structure-activity relationship was established and confirmed of binding interactions through molecular docking studies.
Metal-Free Construction of the C(sp3)-CF3 Bond: Trifluoromethylation of Hydrazones with Togni's Reagent under Mild Conditions
Zeng, Huiying,Luo, Zhen,Han, Xinlong,Li, Chao-Jun
supporting information, p. 5948 - 5951 (2019/08/29)
A metal-free trifluoromethylation of hydrazones with Togni's reagent under mild conditions was developed. Various functional groups including ester, methoxy, dimethoxy, nitro, halogen, and heterocyclic compounds were tolerated. This simple and green strategy provides a practical tool to construct C(sp3)-CF3 bonds.
