Araştırma Çıktıları

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    Web of Science
    Effect of Al, C and Si doping in boron nitride nanocages (B5N10-NC) to enhance the adsorption of environmental toxic gases: simulation technique in a high-performance gas sensor
    (2024) Mollaamin, F.
    The electronic, magnetic and thermodynamic properties of adsorption of toxic gases, including NO, NO2, and N2O molecules, by using boron nitride nanocages (B5N10_NC) doped with aluminum (Al), carbon (C), and silicon (Si) have been investigated using density functional theory (DFT). Based on nuclear quadrupole resonance (NQR) analysis, C-doped on B5N10_NC has shown the lowest fluctuation in electric potential and the highest negative atomic charge in NO@C-B4N10_NC, NO2@C-B4N10_NC, and N2O@C-B4N10_NC. Furthermore, the reported results of NMR spectroscopy have exhibited that the yield of electron accepting for doping atoms on the X-B4N10_NC through gas molecules adsorption can be ordered as Si > Al > C. Based on the results of (Delta G degrees ads) amounts in this research, the maximum efficiency of Al, C, and Si atoms doping of B5N10_NC for gas molecules adsorption depends on the covalent bond between NO, NO2, N2O molecules and X-B4N10_NC as a potent sensor for air pollution elimination.
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    Web of Science
    From Friendship and Brotherhood to Trauma: 1922 Embassy Crisis in Turkish-Soviet Relations
    (2023.01.01) Küçük, E.
    Political relations between the government of Ankara and the Russian Soviet Federative Socialist Republic (RSFSR) began on June 3, 1920. The Treaty of Moscow, signed in 1921, was the first agreement in the history of Turkish-Russian relations in which one side did not use military force against the other. In spite of a friendly relationships between the Government of Grand National Assembly of Turkiye (GNAT) and the Russian Soviet Federative Socialist Republic (RSFSR), on April 21 1922, All-Russian Extraordinary Commission for Combating Counter-Revolution and Sabotage (CHEKA) raided the flat belonging to Turkish Embassy to Moscow on the grounds that espionage activities were conducted by the Embassy and assaulted and arrested the staff of military attache, causing a diplomatic crisis. Ambassador Ali Fuat Pasha protested due to the violation of international law, as well as the fact that the apartment and personnel who had diplomatic immunity were damaged as a result of the incident. Since the crisis could not be resolved in Moscow, and the Soviet side did not apologize, the Ankara government recalled Ambassador Ali Fuat Pasha. The "Embassy Crisis", which can be called the most important crisis that the government of the TurkishGrand National Assembly faced in relations with Soviet Russia in the early 1920s, ended with an apology from the Soviet side. The time period of this study is limited to the period from April 21 to August 15, 1922. The crisis in Turkish-Soviet relations was commonly referred to in sources under titles such as "Ali Fuat Incident, Military Attache's Raid, Moscow Incident." The search of an apartment belonging to the Turkish Embassy by CHEKA directly led to a diplomatic problem. Since this crisis is a diplomatic issue that directly concerns the Turkish Embassy in Moscow, it would be more accurate to call it an embassy crisis. Turkish foreign policy literature argues that the Moscow embassy crisis should also be considered one of the foreign policy crises since the event is not currently considered a crisis. The aim of present study is to look for answers to the questions of how crisis management between the parties was realized by examining the causes, development and results of the crisis that GNAT faced with its main friend and supporter, Soviet Russia, while passing through an extraordinary period.
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    Web of Science
    Insight therapeutic viral diseases: application of SWCNT in drug delivery method
    (2023.01.01) Mollaamin, F.
    In this work, the drug Nirmatrelvir has been evaluated to treat coronavirus by adsorption on the surface of single -walled carbon nanotube (SWCNT) as a drug delivery method due to the principle of direct electron transfer, which has been studied by density functional theory (DFT) methods. Therefore, the theoretical level CAM-B3LYP/6-311+G (d,p) has been achieved to estimate the susceptibility of SWCNT to adsorb Nirmatrelvir using nuclear magnetic resonance and thermodynamic parameters. Furthermore, Onsager's model has influenced nuclear magnetic resonance data and the chemical shielding of carbon (C), nitrogen (N), oxygen (O), and fluorine (F) atoms in the Nirmatrelvir-(5,5) armchair SWCNT complex. Moreover, the nuclear quadrupole resonance electric potential has been outlined for some C, N, O and F atoms in the adsorption process of Nirmatrelvir on the (5,5) armchair SWCNT which has been calculated by CAM-B3LYP/ EPR-III, 6-311+G (d,p). This study suggests that combining carbon nanotube (CNT) and Nirmatrelvir may offer a viable formula for drug delivery, supported by quantum mechanics computations and physicochemical properties of nuclear quadrupole resonance (NQR), nuclear magnetic resonance (NMR), infrared (IR), and ultraviolet/visible (UV-VIS) approaches. In this work, network pharmacology, metabolite analysis, and molecular simulation were employed to elucidate the biochemical basis of the health-promoting effects of Nirmatrelvir in drug delivery with CNT. The data explains that the feasibility of using SWCNT and Nirmatrelvir becomes the norm in the drug delivery system, which has been achieved by quantum calculations due to the physicochemical properties.