Scopus İndeksli Yayınlar Koleksiyonu
Permanent URI for this collectionhttps://hdl.handle.net/20.500.12573/395
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Article Citation - Scopus: 30Thermochemistry of Alkali Metal Cation Interactions With Histidine: Influence of the Side Chain(2012-11-26) Armentrout, Peter B.; Citir, Murat; Chen, Yu; Rodgers, Mary T.The interactions of alkali metal cations (M+ = Na+, K+, Rb+, Cs+) with the amino acid histidine (His) are examined in detail. Experimentally, bond energies are determined using threshold collision-induced dissociation of the M+(His) complexes with xenon in a guided ion beam tandem mass spectrometer. Analyses of the energy dependent cross sections provide 0 K bond energies of 2.31 ± 0.11, 1.70 ± 0.08, 1.42 ± 0.06, and 1.22 ± 0.06 eV for complexes of His with Na+, K+, Rb+, and Cs+, respectively. All bond dissociation energy (BDE) determinations include consideration of unimolecular decay rates, internal energy of reactant ions, and multiple ion-neutral collisions. These experimental results are compared to values obtained from quantum chemical calculations conducted previously at the MP2(full)/6-311+G(2d,2p), B3LYP/6-311+G(2d,2p), and B3P86/6-311+G(2d,2p) levels with geometries and zero point energies calculated at the B3LYP/6-311+G(d,p) level where Rb and Cs use the Hay-Wadt effective core potential and basis set augmented with additional polarization functions (HW*). Additional calculations using the def2-TZVPPD basis set with B3LYP geometries were conducted here at all three levels of theory. Either basis set yields similar results for Na+(His) and K+(His), which are in reasonable agreement with the experimental BDEs. For Rb+(His) and Cs +(His), the HW* basis set and ECP underestimate the experimental BDEs, whereas the def2-TZVPPD basis set yields results in good agreement. The effect of the imidazole side chain on the BDEs is examined by comparing the present results with previous thermochemistry for other amino acids. Both polarizability and the local dipole moment of the side chain are influential in the energetics. © 2012 American Chemical Society. © 2013 Elsevier B.V., All rights reserved.; MEDLINE® is the source for the MeSH terms of this document.Article Citation - WoS: 6Citation - Scopus: 6Arsenic Removal From Aqueous Solutions by Ultrafiltration Assisted With Polyacrylamide: An Application of Response Surface Methodology(Taylor & Francis inc, 2015-10) Varol, Bekir; Uzal, NigmetThe present work deals with removal of arsenic from aqueous solutions by ultrafiltration assisted with polyacrylamide as an environmental friendly complexing polymer. The system performance was evaluated in relation to quality of permeate in terms of operating variables as feed concentration of arsenic ions (C-o, gL(-1)), ratio of polymer to arsenic (r, w/w), and pH of feed solution. The effect of the operating variables and maximum arsenic removal efficiency was determined by adopting design of experiments and response surface methodology under different conditions for this polymer. The experimental data were analyzed with a second order polynomial model validated by statistical analysis. Based on the response model developed, the maximum removal efficiency, close to 100%, of arsenic ions has been obtained at optimum operating parameters as C-o: 150 gL(-1), r: 2, and pH 10.Article Citation - WoS: 16Citation - Scopus: 16Arsenic Removal by the Micellar-Enhanced Ultrafiltration Using Response Surface Methodology(Iwa Publishing, 2019-12-27) Gokcek, Oznur Begum; Uzal, NigmetThe present research investigates the removal of arsenic (As) from aqueous solutions using micellar-enhanced ultrafiltration (MEUF) by utilizing two different surfactants: benzethonium chloride and dodecyl pyridinium chloride (BCl and DPCl). The impact of the operating variables and maximum removal efficiency were found under different conditions for BCl and DPCl surfactants. The maximum As rejection efficiency for MEUF with BCl and DPCl surfactants is 92.8% and 84.1%, respectively. In addition to this, a statistics-based experimental design with response surface methodology was used for the purpose of examining the impact of operating conditions, including initial pH, initial As concentration (ppb), and surfactant concentration (BCl, mM) in As-removal from aqueous solutions. In the analysis of the experimental data, a second-order polynomial model that was validated by statistical analysis for the BCl surfactant was used. On the basis of the response model created, the removal of As ions was acquired at optimum operating parameters, including the initial As concentration of 150 ppb, surfactant concentration of 5 mM and pH 10 for the BCl surfactant with 92.8% As-removal efficiency.