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Acta Chimica Slovenica

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https://www.readbyqxmd.com/read/29993114/theoretical-study-of-ability-of-boron-nitride-nanocone-to-oxidation-of-sulfur-monoxide
#1
Xuewu Zuo, Kourosh Behradfar, Jia-Bao Liu, Milad Janghorban Lariche, Meysam Najafi
In recent years, the discovery of suitable catalyst to oxidation of sulfur monoxide (SO) in normal temperature is a major concern in the industry. In this study, in first step; the boron nitride nanocone (BNNC) with Ge were doped and the surface of Ge-BNNC by using of the O2 molecule were activated. In second step; oxidation of SO on surface of Ge-BNNC through the Langmuir Hinshelwood (LH) and Eley Rideal (ER) mechanisms was investigated. Calculated data reveal that surface of O2-Ge-BNNC oxide the SO molecule with Ge-BNNC-O-O* + SO → Ge-BNNC-O-O*-SO → Ge-BNNC-O* + SO2 and Ge-BNNC-O* + SO → Ge-BNNC + SO2 reactions...
June 2018: Acta Chimica Slovenica
https://www.readbyqxmd.com/read/29993113/hydrothermal-synthesis-of-novel-magnetic-plate-like-bi2o2co3-cofe2o4-hybrid-nanostructures-and-their-catalytic-performance-for-the-reduction-of-some-aromatic-nitrocompounds
#2
Parisa Zarringhadam, Saeed Farhadi
Novel magnetically separable Bi2O2CO3/CoFe2O4 nanocomposites were fabricated by a feasible hydrothermal route. Fourier transform infrared (FT-IR) spectroscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), UV-vis diffuse reflectance spectroscopy (DRS), vibrating sample magnetometer (VSM), and N2 adsorption-desorption analysis were employed to examine the structure, morphology, particle size, phase composition, optical and magnetic properties of the as-synthesized nanocomposites...
June 2018: Acta Chimica Slovenica
https://www.readbyqxmd.com/read/29993112/simultaneous-sensitive-detection-of-lead-ii-mercury-ii-and-silver-ions-using-a-new-nucleic-acid-based-fluorescence-sensor
#3
Deng Yuan, Chen Yinran, Zhou Xiaodong
A new nucleic acid-based fluorescence sensor is reported for simultaneous detection of Pb2+, Ag+, and Hg2+ based on the specific catalytic activity of Pb2+ for a particular DNAzyme, specific regulation of Ag+ on "C-Ag+-C" complex, and stable complex formed by Hg2+ and rhodamine B isothiocyanate (RBITC). Three fluorescence dyes, aminomethylcoumarin acetic acid (AMCA), 5-carboxyfluorescein (FAM), and RBITC, were modified on the probes and served as fluorescent donors. Upon DNA interaction with these metal ions and AuNP fluorescence quenching effect on the fluorescence dyes,the fluorescencerecovery of RBITC and the fluorescencequenching of AMCA and FAM were monitored to detect Hg2+, Pb2+, and Ag+, separately, without the need of using any masking reagents...
June 2018: Acta Chimica Slovenica
https://www.readbyqxmd.com/read/29993111/synthesis-x-ray-structural-characterization-and-dft-calculations-of-mononuclear-nickel-ii-complexes-containing-diamine-and-methacrylate-ligands
#4
Rasoul Vafazadeh, Mansoor Namazian, Behnoosh Shahpoori-Arani, Anthony C Willis, Paul D Carr
The mononuclear Ni(II) complexes [Ni(en)2(H2O)2](MAA)2 (1) and [Ni(pn)2(MAA)2] (2), where MAA, en and pn are methacrylate, ethylendiamine and 1,3-propylendiamine, respectively, have been synthesized and characterized by elemental analysis, FT-IR and UV�Vis spectroskopy. Structures of the complexes have been determined by single-crystal X-ray diffraction analyses. In the nickel(II) complexes 1 and 2 nickel(II) ion is six-coordinate and has a distorted octahedral geometry. Ni(II) is bonded to four nitrogen atoms of the two diamines and additionally to two oxygen atoms of aqua ligand in 1, and two oxygen atoms of methacrylate ligands in 2...
June 2018: Acta Chimica Slovenica
https://www.readbyqxmd.com/read/29993110/complex-formation-in-a-liquid-liquid-extraction-system-containing-vanadium-iv-v-2-3-dihydroxynaphtahlene-and-thiazolyl-blue
#5
Galya K Toncheva, Zlatimir T Zhelev, Vassil B Delchev, Kiril B Gavazov
Liquid-liquid extraction systems for VIV/V containing 2,3-dihydroxynaphtahlene (DN) and 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl-2H-tetrazolium bromide (thiazolyl blue, MTT) were studied. The optimum conditions for VIV and VV extraction were found. VIV is extracted in chloroform as a 1:2:2 complex (V:DN:MTT) with lmax = 570 nm and e570 = 2.9´104 dm3 mol-1 cm-1. However, this wavelength was found unsuitable for precise spectrophotometric measurements due to time dependent absorbance changes. VV forms predominantly a 1:1:1 complex with lmax = 335 nm...
June 2018: Acta Chimica Slovenica
https://www.readbyqxmd.com/read/29993109/polypropylene-blends-with-m-epr-copolymers-mechanical-and-rheological-properties
#6
Iztok Švab, Anđela Pustak, Matjaž Denac, Andrijana Sever Škapin, Mirela Leskovac, Vojko Musil, Ivan Šmit
The effects of two metallocene ethylene-propylene-based elastomers (m-EPR1 and m-EPR2) differing in molecular mass and viscosity on mechanical, rheological and interfacial properties were compared. The m-EPR elastomers were added to iPP in 2.5, 5, 10, 15, and 20 vol.%. Torque values, elongation at break and impact strength measured of the iPP/m-EPR1 blends were higher than the iPP/m-EPR2 blends due to higher molten viscosity of m-EPR1 than m-EPR2 copolymer. Slight differences in Young moduli as well as in tensile strength at yield and at break might indicate that tensile properties of iPP/m-EPR blends were not significantly affected by difference in viscosity or molecular mass, miscibility and spherulite size...
June 2018: Acta Chimica Slovenica
https://www.readbyqxmd.com/read/29993108/solvothermal-synthesis-of-zno-nitrogen-doped-graphene-composite-and-its-application-as-catalyst-for-photodegradation-of-organic-dye-methylene-blue
#7
Rajinder Singh, Manesh Kumar, Heena Khajuria, Jigmet Ladol, Haq Nawaz Sheikh
A facile one step solvothermal method is designed for the synthesis of visible light-sensitive ZnO-nitrogen doped graphene (ZNG) nano photocatalysts using ethylene glycol as a solvent as well as an agent to prevent aggregation of graphene layers. The deposition of ZnO nanoparticles onto the NG layers was confirmed by high resolution transmission electron microscope (HR-TEM), scanning electron microscope (SEM), powder X-ray diffraction (XRD), and Fourier transform infrared spectroscopy (FTIR). UV-Vis spectroscopy (UV-Vis) was used to study the enhanced photocatalytic activity, which shows the red-shift of the band-edge as compared to ZnO nano particles...
June 2018: Acta Chimica Slovenica
https://www.readbyqxmd.com/read/29993107/possibility-of-c38-and-si19ge19-nanocages-in-anode-of-metal-ion-batteries-computational-examination
#8
Bie Rong-Jun, Muhammad Kamran Siddiqui, Razieh Razavi, Milad Taherkhani, Meysam Najafi
In this study, the potential of C38 and Si19Ge19 as anode electrodes of Li-ion, Na-ion and K-ion batteries via density functional theory was investigated. Obtained results showed that Si19Ge19 as anode electrode in metal-ion batteries has higher potential than C38 ca 0.18 V. Calculated results illustrated that K-ion battery has higher cell voltage and higher performance than Li-ion and Na-ion batteries ca 0.15 and 0.31 V, respectively. Results showed that halogen adoption increased the cell voltage of studied metal-ion batteries ca 1...
June 2018: Acta Chimica Slovenica
https://www.readbyqxmd.com/read/29993106/the-accuracy-of-macro-submicro-symbolic-language-of-future-chemistry-teachers
#9
Dušica D Rodić, Tamara N Rončević, Mirjana D Segedinac
The present study is focused on the examination of language accuracy of future chemistry teachers in the macro-submicro-symbolic domain. Since the knowledge at the submicroscopic level is crucial for the understanding of chemical concepts and ideas, the aim of this study was to examine the accuracy of the language of future chemistry teachers while delivering chemical contents at this level. Within this objective, it was examined whether future chemistry teachers make a distinction between submicroscopic and macroscopic levels, as well as between submicroscopic and symbolic levels in their speech...
June 2018: Acta Chimica Slovenica
https://www.readbyqxmd.com/read/29993105/dft-study-of-the-reaction-mechanism-of-n-carbomylcarbamothioyl-benzamide
#10
Felix Odame
The reaction mechanism for the formation of N-(carbomylcarbamothioyl)benzamide has been successfully computed with the B3LYP/6-31g(d) functional and basis set and compared with 1H NMR monitoring of the progress of the reaction with time. The reaction is proposed to proceed through two transition states: Ts1 (the rate-determining step) with highly unstable species (with a requisite orientation for the reaction to proceed), and Ts2 with a lower energy leading to the product. Computation of the reaction pathway was also carried out using the B3PW91/6-31G(d), M06/6-31G(d) and Wb97XD/6- 31G(d) functionals and basis set...
June 2018: Acta Chimica Slovenica
https://www.readbyqxmd.com/read/29993104/the-antioxidant-response-system-in-wheat-exposed-to-pesticides-and-its-combined-induced-oxidative-damage
#11
Yücel Candan Nilgün, Heybet Hakli Elif, Ozay Ozgür Gokmen
The aim of the present study was to analyze the alterations in the, antioxidant enzyme activities (such as superoxide dismutase (SOD), catalase (CAT), glutathione peroxidase (GSH-Px) and level of glutathione (GSH) and lipid peroxidation (LPO) of wheat acutely treated with CP and DM treatments at low, high doses and their combination. CP and DM were administered to wheat in different doses of 1, 1.5, 5 and 35 mg kg-1 given alone and combination. After 3 weeks, antioxidant enzyme activities, and the level of GSH and LPO were recorded and analyzed...
June 2018: Acta Chimica Slovenica
https://www.readbyqxmd.com/read/29993103/solvothermal-synthesis-and-photocatalytic-activity-of-biobr-microspheres-with-hierarchical-morphologies
#12
Adriana C Mera, Carlos A Rodr Guez, H Ctor Vald S, Andres F Jaramillo, David Rojas, Manuel F Melendrez
BiOBr microspheres with hierarchical morphologies (BiOBr-MicSphe) has potential application in heterogeneous photocatalysis for decontamination of water and air. For this reason, the synthesis, characterization an evaluation of photocatalytic activity of these materials become important. In this article, BiOBr-MicSphe were synthesized using different ranges of reaction temperature (120-200 °C) and reaction time (12 h - 24 h). Samples grown at 145 °C and 18 h showed the higher photocatalytic activity on gallic acid degradation...
June 2018: Acta Chimica Slovenica
https://www.readbyqxmd.com/read/29993102/interaction-between-the-rubidium-cation-and-2-2-2-paracyclophane-experimental-and-theoretical-study
#13
Emanuel Makrlík, Stanislav Böhm, David Sýkora, Petr Kvíčalová
By means of electrospray ionization mass spectrometry (ESI-MS), it was evidenced experimentally that the rubidium cation (Rb+) reacts with the electroneutral [2.2.2]paracyclophane ligand (C24H24) to form the cationic complex [Rb(C24H24)]+. Moreover, applying quantum chemical calculations, the most probable conformation of the proven [Rb(C24H24)]+ complex was solved. In the complex [Rb(C24H24)]+ having a symmetry very close to C3, the "central" cation Rb+, fully located in the cavity of the parent [2...
June 2018: Acta Chimica Slovenica
https://www.readbyqxmd.com/read/29993101/capsicum-annuum-fruit-extract-a-novel-reducing-agent-for-the-green-synthesis-of-zno-nanoparticles-and-their-multifunctional-applications
#14
Haraluru Shankraiah Lalithamba, Mahadevaiah Raghavendra, Kogali Uma, Kalanakoppal Venkatesh Yatish, Das Mousumi, Govindappa Nagendra
A simple, efficient and convenient method for the preparation of zinc oxide (ZnO) nanoparticle was described. Several parameters like size and morphology of the prepared nanoparticles were characterized thorough a variety of analytical techniques such as XRD, FT-IR, UV-Vis, SEM, and EDX. The prepared ZnO nanoparticles were successfully used as catalyst for the formylation of amino acid esters and biodiesel synthesis. Further, the synthesized formamide esters were well characterized through HRMS, 1H NMR and 13C NMR analysis and subjected for the in vitro antibacterial and antifungal tests and the results indicated that some of them showed promising activity against targeted bacterial pathogens...
June 2018: Acta Chimica Slovenica
https://www.readbyqxmd.com/read/29993100/thin-layer-chromatography-an-efficient-technique-for-the-optimization-of-dispersive-liquid-liquid-microextraction
#15
Elena Kupcovć, Katarína Reiffová, Yaroslav Bazeľ
Thin-layer chromatography (TLC) is an often omitted analytical technique due to its lower sensitivity and separation capacity. Even in the era of high-performance liquid chromatography (HPLC), thin-layer chromatography still offers many advantages, such as simplicity, rapidity, and cost-effectiveness, which predict TLC to be the first-choice method for the laborious optimization process requiring analysis of numerous samples. In this work, a thin-layer chromatography method with chemical and densitometric detection was used to optimize a dispersive liquid-liquid microextraction (DLLME) process for the extraction and preconcentration of estradiol in human urine...
June 2018: Acta Chimica Slovenica
https://www.readbyqxmd.com/read/29993099/biological-significance-of-hetero-scaffolds-based-gold-iii-complexes
#16
Darshana N Kanthecha, Dilip B Raval, Vasudev R Thakkar, Mohan N Patel
Synthesized ligands and complexes, [Au(Ln)Cl2]Cl, have been characterized by various techniques such as elemental analysis, LC-MS, FT-IR, UV-Vis, 1H and 13C NMR spectroscopy, conductance measurement and magnetic moments measurement. The experimental results show that complexes exhibit higher antibacterial activity against Gram(+ve) and Gram(-ve) microorganisms than free ligands. The in vitro cytotoxicity and cellular level cytotoxicity suggest that Au(III) complexes show better activity than corresponding ligands...
June 2018: Acta Chimica Slovenica
https://www.readbyqxmd.com/read/29993098/phase-equilibria-in-the-tl4pbte3-tl9smte6-tl9bite6-section-of-the-tl-pb-bi-sm-te-system
#17
Samira Zakir Imamaliyeva, Ganira Ilgar Alakbarzade, Aydin Mahmudova Matanat, Imameddin Rajabali Amiraslanov, Mahammad Baba Babanly
Phase equilibria in the section Tl4PbTe3-Tl9SmTe6-Tl9BiTe6 of the Tl-Pb-Bi-Sm-Te system were determined by combination of differential thermal analysis, powder X-ray diffraction methods as well as microhardness measurements. The phase diagrams of the boundary systems Tl4PbTe3-Tl9SmTe6, Tl9SmTe6-Tl9BiTe6, isothermal section at 820 and 840 K, some isopleth sections and as well as liquidus and solidus surfaces projections, were plotted. Unlimited solid solutions, which crystallize in Tl5Te3 structure type were found in the system at the solidus temperatures and below...
June 2018: Acta Chimica Slovenica
https://www.readbyqxmd.com/read/29993097/interaction-of-hf-hbr-hcl-and-hi-molecules-with-carbon-nanotubes
#18
Wiem Felah Gtari, Bahoueddine Tangour
The present work applies the density functional theory (DFT) to study the interactions between armchair (n,n) single walled carbon nanotubes (SWCNTs) and hydrogen halides confined along the nanotube axis and perpendicular to it. Calculations are performed using the CAM-B3LYP functional. According to the hydrogen halides orientation and the internal diameter of CNTs hollow space, HF, HCl, HBr and HI behave differently. The nanoconfinement alters the charge distribution and the dipolar moment. The encapsulated hydrogen fluoride (HF) molecule is stable along and perpendicular to the nanotubes (5,5) and (6,6) axis...
June 2018: Acta Chimica Slovenica
https://www.readbyqxmd.com/read/29993096/recovery-of-antioxidant-compounds-from-aronia-filter-tea-factory-by-product-novel-versus-conventional-extraction-approaches
#19
Aleksandra Gavaric, Milica Ramic, Jelena Vladic, Branimir Pavlic, Robert Radosavljevic, Senka Vidovic
Black chokeberry (Aronia melanocarpa L.) by-product from filter tea factory underwent subcritical water extraction (SWE) in order to recover polyphenolics and determine its antioxidant potential. In the current study Box-Behnken design was applied for optimization. Independent variables used in experimental design were temperature (T, 120-200 °C), extraction time (t, 15-35 min) and hydrochloride concentration (c, 0-1.5%). Experimental results were fitted to a second-order polynomial model where multiple regression analysis and analysis of variance were used to determine fitness of the model and optimal conditions...
June 2018: Acta Chimica Slovenica
https://www.readbyqxmd.com/read/29993095/copper-ii-schiff-base-complexes-with-catalyst-property-experimental-theoretical-thermodynamic-and-biological-studies
#20
Sheida Esmaielzadeh, Elham Zarenezhad
Two novel copper(II) Schiff base complexes were synthesized and characterized by various physico-chemical and spectroscopic methods, revealing a distorted square planar geometry around the copper atom. The analytical data confirmed the 1:1 metal to ligand stoichiometry of the complexes. B3LYP/(LANL2DZ/6-311G**) density functional theory (DFT) were used to investigate structural and electronic properties of the synthesized compounds in gas phase. The computational results support the conclusion obtained by the experimental studies...
June 2018: Acta Chimica Slovenica
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