Considering the risk of toxic organic compounds to both human health and the environment, highly luminescent Eu-incorporated amino-functionalized zirconium metal-organic frameworks, namely, Eu/MOF and Eu@MOF were synthesized via the solvothermal method. The synthesized luminescent europium-incorporated MOFs act as outstanding sensor materials for diphenylamine and dinitrobenzene detection in water and fruit samples. The synergistic effect of Eu metal ions and amino-functionalized MOFs enhances the luminescent properties of the MOFs improving the fluorescence sensing ability toward the analytes. The enhancement in the detection capacity of the Eu-incorporated sensors than the sole MOF toward toxic organic compounds was confirmed using the Stern-Volmer equation of limit of detection (LOD) measurements along with fluorescence lifetime measurements. The sensors exhibited turn-on fluorometric detection toward their respective analytes due to the inner filter effect. The plausible fluorescence sensing mechanism has been studied. The DFT calculations have been integrated to study the structure, stability, and charge transfer processes.
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http://dx.doi.org/10.1021/acsomega.3c07158 | DOI Listing |
Bioorg Chem
January 2025
Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Suez Canal University, Ismailia, Egypt. Electronic address:
EGFR inhibitors are a class of targeted therapies utilized in the management of certain tumor kinds such as NSCLC and breast cancer. Series of 1,2,3-triazole-Schiff's base hybrids were designed, synthesized, and estimated for their antitumor effect toward breast cancer cells, MCF-7 and MDA-MB-231. The safety and selectivity of the new compounds were tested using normal cell (WI-38).
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
Research Unit of Structural Chemistry & Computational Biophysics, Leibniz-Forschungsinstitut für Molekulare Pharmakologie, Berlin 13125, Germany.
Density functional theory (DFT) calculations have emerged as a powerful theoretical toolbox for interpreting and analyzing the experimental nuclear magnetic resonance (NMR) spectra of chemical compounds. While DFT has been extensively used and benchmarked for isotropic NMR observables, the evaluation of the full chemical shielding tensor, which is necessary for interpreting residual chemical shift anisotropy (RCSA), has received much less attention, despite its recent applications in the structural elucidation of organic molecules. In this study, we present a comprehensive benchmark of carbon shielding anisotropies based on coupled cluster reference tensors taken from the NS372 benchmark data set.
View Article and Find Full Text PDFEnviron Sci Technol
January 2025
Research Center for Environmental Nanotechnology (ReCENT), School of Environment, Nanjing University, Nanjing 210023, China.
For several decades, the methodology of complete destruction of organic pollutants via oxidation, i.e., mineralization, has been rooted in real water treatment applications.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Department of Chemistry, University of California, Davis, 1 Shields Avenue, Davis, California 95616, United States.
Whereas single crystals of organic compounds that respond to heat or light have been reported and studied in detail, studies on crystalline organic compounds that elicit an extreme mechanical response are relatively rare in the chemical literature. A tetrafluoro(aryl)sulfanylated bicyclopentane synthesized in our laboratory was discovered to exhibit such behavior; i.e.
View Article and Find Full Text PDFOrg Biomol Chem
January 2025
Department of Chemistry and Biochemistry, The University of Tulsa 800 South Tucker Drive, Tulsa, OK 74104, USA.
A variety of dearomatized compounds have been prepared in moderate to excellent yields from planar scaffolds using trichloroisocyanuric acid (TCCA) as an atom-economical chlorinating agent. The method tolerates a broad range of functionalities and can take place in several green and/or sustainable solvents. Twenty-one examples of 1,1-dichlorinated products of dearomatized 2-naphthols and analogous heteroarenes (quinolinols, isoquinolinols, and quinazolinol) are reported along with five examples of monochlorinated dearomatized products.
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