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Khezri Behrooz Maskanati Maryam Zohrevand Bahareh Liyaghati-Delshad Mozhdeh Soltanali Fatemeh 《Structural chemistry》2022,33(2):315-322
Structural Chemistry - This is an analysis report on the use of density functional theory (DFT) to investigate the potentials of pristine and amino acid–functionalized C4B32 borospherenes in... 相似文献
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Karami Fatemeh Ahmadi Nadooshan Afshin Westerberg Lars G. Tadi Beni Yaghoub 《Journal of Thermal Analysis and Calorimetry》2019,137(1):327-342
Journal of Thermal Analysis and Calorimetry - This study was conducted with the aim of investigating the Newtonian nanofluid flow in a catheterized tapered artery through using a completely... 相似文献
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A mixed CuI/CuIIcatalyst based on magnetic cysteine functionalized graphene oxide (CuI/II@Cys-MGO) was prepared and used for the azidonation reaction of aryl boronic acids and one-pot synthesis of 1,4-diaryl −1,2,3-triazoles. Aryl azides were obtained in good yields and short reaction times via cross-coupling of aryl boronic acids with sodium azide in the presence of CuII catalytic species in this catalytic system. The azide-alkyne cycloaddition reaction was catalyzed by CuI catalytic species in CuI/II@Cys-MGO nanocomposite. 相似文献
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Mark Edgar Dee Hayward Fatemeh Zeinali Shahzad Riaz George W. Weaver 《Magnetic resonance in chemistry : MRC》2020,58(2):170-185
A simple to use nuclear magnetic resonance analysis method has been tested on complex 1H, 19F, and 13C multiplets. This open-source line-shape analysis method analysis of total lineshape (ANATOLIA)1 provides some significant advantages over traditional assign-iterate methods of NMR spectral analysis by avoiding false minima and progressing optimisation to the global minimum. The target molecules are 1-perfluorotol-4-yl-2-perfluorotol-4-yl-oxymethyl-1H-benzimidazole (molecule-I) and 1-tetrafluoropyrid-4-yl-2-tetrafluoropyrid-4-yl-thio-1H-benzimidazole (molecule-II) which were produced as part of a family of fluorinated drug scaffolds prepared for anticancer and antiparasitic screening. Spectra display significant second-order effects with 1H Δδ = 3.68 and 4.67 Hz for the aromatic hydrogen “triplets”, with 19F 4JAA', 4JBB', 4JXX', and 4JYY' coupling constants range from +4.8 to −14.0 Hz and for 13C-isotopomers 19F Δδ of up to 111.56 Hz. A spin-system of six coupling nuclei (HaHbHcHd FYFY') was analysed in 12 s, a spin-system of nine coupling fluorine nuclei (AA'BB'CCC-YY') was analysed within 2 min, and 10 coupling nuclei (XX'YY'ZZZ-BB'-Hd) was optimised in 6 min using a laptop computer. ANATOLIA was also robust enough to be able to yield accurate spectral values from inaccurate input values. In both compounds, a fluorine–fluorine coupling constant was identified between the two fluoro-aromatic rings (FBB' and FYY') of +4.05 and +4.67 Hz and attributed to a through-space interaction. Ab initio structure optimisations and coupling constant calculations provided useful input data for spectral analysis. A modern 19F nuclear magnetic resonance spectrum of perfluorotoluene (octafluorotoluene) and analysis from 1975 was used as a test data set to assess ANATOLIA. 相似文献
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Mahmoud Roushani Zahra Saedi Fatemeh Hamdi Hamid Reza Rajabi 《Journal of the Iranian Chemical Society》2018,15(10):2241-2249
In this study, a new Cr(III)-imprinted polymer (Cr(III)-IIP) is prepared from CrCl3·6H2O, methacrylic acid functional monomer, ethyleneglycoldimethacrylate cross-linking agent, 2,2?-azobisisobutyronitrile radical initiator and 2,2-(azanediylbis (ethane-2,1-diyl))bis(isoindoline-1,3-dione) ligand. To obtain the maximum adsorption capacity, the optimum condition was studied through pH, type and concentration of eluent, IIP weight, sample volume as well as the adsorption and desorption times. The Cr(III) ion content was determined via flame atomic absorption spectrometer. In optimum conditions, the adsorption capacity of the IIP for Cr(III) was obtained to be 74.65 mg g?1, using 50 mg of IIP and the initial pH solution of 3.0. Both the adsorption and desorption times for quantitative analyses of Cr(III) ions were 15 and 5 min; respectively. After elution of the adsorbed ions by 3 mL of 4 mol L?1 HNO3 aqueous solution, the established IIP-based SPE procedure provides a reasonable pre-concentration factor of 100. The IIP-based pre-concentration method provides a low detection limit of 1.7 µg L?1 with good repeatability (RSD?=?3.22%). Reusability studies confirmed that synthesis IIP is reusable and recoverable up to six cycles. According to the selectivity experiments, it was concluded that the prepared sorbent possesses more affinity toward Cr(III) ions than other ions such as Al3+, Pb2+, Cu2+, Mn2+, Fe2+, Zn2+, and Ni2+ ions. To evaluate the potential applicability of the proposed separation method, the pre-concentration and determination of trace amounts of Cr(III) were performed successfully in food samples with complex matrices, a bestial sample (i.e. cow liver) and an herbal product (i.e., broccoli) as real samples. 相似文献
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Fatemeh Jafari Mehmandoost-Khajeh-Dad Ali Akbar Mohammadi-Dadkan Maysam Ghal-Eh Nima Yazdandoust Hamideh 《Physics of Particles and Nuclei Letters》2019,16(6):761-767
Physics of Particles and Nuclei Letters - Plastic scintillators are widely used in detecting nuclear radiation due to their low construction cost, the ability to be produced in nearly any shape and... 相似文献
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