PubMed İndeksli Yayınlar Koleksiyonu / PubMed Indexed Publications Collection

Permanent URI for this collectionhttps://hdl.handle.net/11147/7645

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Department: search.filters.department.Izmir Institute of TechnologyPublisher: search.filters.publisher.Royal Soc Chemistry

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  • Article
    Citation - WoS: 4
    Citation - Scopus: 4
    Tailored Bodipy-Based Fluorogenic Probes for Phosgene Detection: a Comparative Evaluation of Recognition Sites
    (Royal Soc Chemistry, 2024) Dartar, Suay; Emrullahoğlu, Mustafa; Kaya, Beraat Umur; Kaya, Beraat Umur; Yayak, Yanki Oncu; Vural, Ezgi; Vural, Ezgi; Dartar, Suay; Emrullahoglu, Mustafa; 01. Izmir Institute of Technology; 04.01. Department of Chemistry; 04.04. Department of Photonics; 04. Faculty of Science
    We constructed two novel boron-dipyrromethene (BODIPY)-based fluorescent probes, BOPD and BOBA, each equipped with the phosgene specific recognition units o-phenylenediamine (OPD) and o-aminobenzylamine (OBA) at the 2-position of the BODIPY core. BOPD and BOBA represent rare examples of BODIPY-based probes that operate by modulating an intramolecular charge transfer process (ICT), as validated by computational studies. We systematically compared the analytic performance of those recognition units while focusing on selectivity, fluorescence turn-on ratios and response times. Probe BOBA, equipped with OBA as the recognition unit, demonstrated a remarkably low detection limit (i.e., 1.40 nM) and a rapid response time (<10 s) for triphosgene. By comparison, BOPD, featuring an OPD unit, showed superior selectivity towards triphosgene, with a detection limit of 93 nM and a response time of up to 30 s. A portable sensing platform was developed by loading BOPD onto test strips made of TLC plates, nonwoven materials and small-headed cotton swabs, which were assessed for their effectiveness in detecting phosgene. We additionally performed the first successful application of a fluorescent probe, namely BOPD, for monitoring the accumulation of phosgene in plants.
  • Article
    Citation - WoS: 1
    Anisotropic Structural, Vibrational, Electronic, Optical, and Elastic Properties of Single-Layer Hafnium Pentatelluride: an <i>ab Initio</I> Study
    (Royal Soc Chemistry, 2024) Yağmurcukardeş, Mehmet; Cetin, Zebih; Yagmurcukardes, Mehmet; 04.04. Department of Photonics; 04. Faculty of Science; 01. Izmir Institute of Technology
    Motivated by the highly anisotropic nature of bulk hafnium pentatelluride (HfTe<INF>5</INF>), the structural, vibrational, electronic, optical, and elastic properties of single-layer two-dimensional (2D) HfTe<INF>5</INF> were investigated by performing density functional theory (DFT)-based first-principles calculations. Total energy and geometry optimizations reveal that the 2D single-layer form of HfTe<INF>5</INF> exhibits in-plane anisotropy. The phonon band structure shows dynamic stability of the free-standing layer and the predicted Raman spectrum displays seven characteristic Raman-active phonon peaks. In addition to its dynamic stability, HfTe<INF>5</INF> is shown to exhibit thermal stability at room temperature, as confirmed by quantum molecular dynamics simulations. Moreover, the obtained elastic stiffness tensor elements indicate the mechanical stability of HfTe<INF>5</INF> with its orientation-dependent soft nature. The electronic band structure calculations show the indirect-gap semiconducting behavior of HfTe<INF>5</INF> with a narrow electronic band gap energy. The optical properties of HfTe<INF>5</INF>, in terms of its imaginary dielectric function, absorption coefficient, reflectance, and transmittance, are shown to exhibit strong in-plane anisotropy. Furthermore, structural analysis of several point defects and their oxidized structures was performed by means of simulated STM images. Among the considered vacancy defects, namely , , V<INF>Te<INF>out</INF></INF>, V<INF>Te<INF>in</INF></INF>, , and V<INF>Hf</INF>, the formation of V<INF>Te<INF>out</INF></INF> is revealed to be the most favorable defect. While and V<INF>Hf</INF> defects lead to local magnetism, only the oxygen-substituted V<INF>Hf</INF> structure possesses magnetism among the oxidized defects. Moreover, it is found that all the bare and oxidized vacant sites can be distinguished from each other through the STM images. Overall, our study indicates not only the fundamental anisotropic features of single-layer HfTe<INF>5</INF>, but also shows the signatures of feasible point defects and their oxidized structures, which may be useful for future experiments on 2D HfTe<INF>5</INF>.