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
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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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
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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