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Dual in vitro and in silico analysis of thiacalix[4]arene dinaphthalene sulfonate for the sensing of 4-nitrotoluene and 2,3-dinitrotoluene

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F18%3A00492322" target="_blank" >RIV/61388955:_____/18:00492322 - isvavai.cz</a>

  • Result on the web

    <a href="http://dx.doi.org/10.1039/c7nj03820h" target="_blank" >http://dx.doi.org/10.1039/c7nj03820h</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1039/c7nj03820h" target="_blank" >10.1039/c7nj03820h</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Dual in vitro and in silico analysis of thiacalix[4]arene dinaphthalene sulfonate for the sensing of 4-nitrotoluene and 2,3-dinitrotoluene

  • Original language description

    A new fluorescent thiacalix[4]arene dinaphthalene sulfonate (TCDNS) was synthesized by a reaction of thiacalix[4]arene with naphthalene sulfonyl chloride. TCDNS was characterized by 1H-NMR, 13C-NMR, and ESI-MS spectrometric analyses. The selectivity of fluoroionophore was analyzed for 4-nitrotoluene (4-NT) and 2,3-dinitrotoluene (2,3-DNT) among various nitroaromatic compounds (NACs) using the spectrofluorimetric technique. 4-NT and 2,3-DNT behave as the strong emission quenchers for TCDNS. The information about the complexation of TCDNS with 4-NT and 2,3-DNT was revealed by ESI-MS and 1H NMR analysis. A standard addition method was used for the detection of 4-NT and 2,3-DNT in a water sample. The complex formation in the cases of TCDNS superset of 4-NT and TCDNS superset of 2,3-DNT has been demonstrated by molecular docking and dynamics simulation techniques.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

    10403 - Physical chemistry

Result continuities

  • Project

    <a href="/en/project/GA17-18108S" target="_blank" >GA17-18108S: Novel electrochemically active thiacalix[4]arenes and their oxidized analogues as ligands and receptors</a><br>

  • Continuities

    P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Others

  • Publication year

    2018

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    New Journal of Chemistry

  • ISSN

    1144-0546

  • e-ISSN

  • Volume of the periodical

    42

  • Issue of the periodical within the volume

    4

  • Country of publishing house

    GB - UNITED KINGDOM

  • Number of pages

    10

  • Pages from-to

    2682-2691

  • UT code for WoS article

    000424970300040

  • EID of the result in the Scopus database

    2-s2.0-85042051146