Properties Assessment by Quantum Mechanical Calculations for Azulenes Substituted with Thiophen– or Furan–Vinyl–Pyridine

Ciocîrlan, Oana; Ungureanu, Eleonora‐Mihaela; Vasile, Alina-Alexandra; Stefaniu, Amalia

doi:10.3390/sym14020354

Cited by 2 publications

(1 citation statement)

References 42 publications

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“…(vinyl)pyridine led to a DL = 5 × 10 −8 M for Pb(II), as reported in [19]. In order to understand these differences between the performances of modified electrodes based on monomers with similar structures, but with different substituents, DFT calculations were performed [20]. They were similar to those performed for other azulene derivatives [21][22][23] and helped to find correlations between the electrooxidation potential and structure.…”

Section: Introductionmentioning

confidence: 64%

Surface Characterization of Modified Electrodes Based on 4-(Azulen-1-yl)-2,6-bis((E)-2-(thiophen-2-yl)vinyl)pyridine

et al. 2022

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Sensitive electrodes based on complexing azulene polymer films were prepared by electrochemical deposition on glassy carbon electrodes. The characterization of 4-(azulen-1-yl)-2,6-bis((E)-2-(thiophen-2-yl)vinyl)pyridine (M) and its polymerization were performed by voltammetric methods on glassy carbon disk working electrodes in millimolar solutions of acetonitrile in the presence of 0.1 M tetrabutylammonium perchlorate (TBAP). The films containing complexing (thiophen-2-yl)vinyl symmetrically substituted pyridine fragments were deposited either by scanning or by controlled potential electrolysis (CPE). Investigation and morphological characterization of samples by Scanning Electron Microscopy (SEM), Energy Dispersive X-ray Spectroscopy (EDX), Atomic Force Microscopy (AFM), Fourier Transform IR Spectroscopy (FTIR), and fluorescence showed particular features of the CMEs obtained at variable potentials and charges and suggested the conservation the complexing units in the films. The characterization methods for chemically modified electrodes (CMEs) were chosen depending on the desired uses of this monomer for heavy metal sensors or optical applications, respectively.

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Section: Introductionmentioning

confidence: 64%

Surface Characterization of Modified Electrodes Based on 4-(Azulen-1-yl)-2,6-bis((E)-2-(thiophen-2-yl)vinyl)pyridine

et al. 2022

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In Silico Comparison of Quantum and Bioactivity Parameters of a Series of Natural Diphenyl Acetone Analogues, and In Vitro Caco-2 Studies on Three Main Chalcone Derivatives

Stefaniu,

Neagu,

Albulescu

et al. 2024

Symmetry

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This paper aims to compare the in silico and in vitro properties of a series of diphenyl acetone derivatives, specifically six chalcone analogues, namely benzophenone, chalcone, phloretin, phloridzin, nothofagin and 4-methylchalcone. The in silico studies were conducted using the Spartan’14 mechanistic program to perform a comparative analysis of the molecular, quantum and bioactivity parameters of the six analogues under study. The in vitro MTS studies were designed to investigate the cytotoxic and anti-proliferative effect of the reference substances (r.s.) of three main chalcone derivatives in nature, namely phloretin, phloridzin and 4-methylchalcone, on the Caco-2 cell line. Overall, the in silico results foremost suggested the potential of phloretin to traverse the blood–brain barrier, and the abilities of phloridzin and nothofagin to act as broad cell enzyme inhibitors; the in vitro results demonstrated that phloretin and 4-methylchalcone have the potential to induce both cytotoxic and anti-proliferative effects, depending on their concentration level: the antiproliferative effects were noticed in the interval from 1 to 50 µg of r.s. per sample, while the cytotoxic effects were noticed from 1 to 50 µg of r.s. per sample in the case of 4-methychalcone, and at 50 µg of r.s. per sample in the case of phloretin. Phloridzin did not affect the viability of the Caco-2 line.

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Properties Assessment by Quantum Mechanical Calculations for Azulenes Substituted with Thiophen– or Furan–Vinyl–Pyridine

Cited by 2 publications

References 42 publications

Surface Characterization of Modified Electrodes Based on 4-(Azulen-1-yl)-2,6-bis((E)-2-(thiophen-2-yl)vinyl)pyridine

Surface Characterization of Modified Electrodes Based on 4-(Azulen-1-yl)-2,6-bis((E)-2-(thiophen-2-yl)vinyl)pyridine

In Silico Comparison of Quantum and Bioactivity Parameters of a Series of Natural Diphenyl Acetone Analogues, and In Vitro Caco-2 Studies on Three Main Chalcone Derivatives

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