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Acta Chim Slov 2018 Jun;65(2):296-302

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. Read More

Acta Chim Slov 2018 Jun;65(2):448-461

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. The results of the findings showed demonstrated the successful coupling of spherical CoFe2O4 nanoparticles and plate-like Bi2O2CO3 nanostructures. Read More

Acta Chim Slov 2018 Jun;65(2):271-277

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. Read More

Acta Chim Slov 2018 Jun;65(2):372-379

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. Read More

Acta Chim Slov 2018 Jun;65(2):462-469

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. Read More

Acta Chim Slov 2018 Jun;65(2):344-353

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. Read More

Acta Chim Slov 2018 Jun;65(2):319-327

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. Read More

Acta Chim Slov 2018 Jun;65(2):303-311

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. Read More

Acta Chim Slov 2018 Jun;65(2):394-400

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. Read More

Acta Chim Slov 2018 Jun;65(2):328-332

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. Read More

Acta Chim Slov 2018 Jun;65(2):266-270

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. Read More

Acta Chim Slov 2018 Jun;65(2):429-437

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). Read More

Acta Chim Slov 2018 Jun;65(2):475-480

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)]+. Read More

Acta Chim Slov 2018 Jun;65(2):354-364

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. Read More

Acta Chim Slov 2018 Jun;65(2):388-393

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. Read More

Acta Chim Slov 2018 Jun;65(2):333-343

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. Read More

Acta Chim Slov 2018 Jun;65(2):365-371

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. Read More

Acta Chim Slov 2018 Jun;65(2):289-295

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. Read More

Acta Chim Slov 2018 Jun;65(2):438-447

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. Read More

Acta Chim Slov 2018 Jun;65(2):416-428

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. Read More

Acta Chim Slov 2018 Jun;65(2):401-406

A convenient method for preparation of cyclic and acyclic nucleosides was achieved by alkylation of 6-(2,4-dichlorophenoxymethyl) pyrimidine-2,4-dione (1) with a variety of acyclic and cyclic activated sugar analogues, namely (2-acetoxyethoxy)methyl acetate (3), 2-(acetoxymethoxy)propane-1,3-diyl dibenzoate (4), benzyloxymethyl acetate (5), 2-acetoxy-5-(benzoyloxymethyl)tetrahydrofuran-3,4-diyl dibenzoate (12), 5-chloro-2-((4-chlorobenzoyloxy)methyl) tetrahydrofuran-3-yl 4-chlorobenzoate (13) and 2-(acetoxymethyl)-6-bromotetrahydro-2H-pyran-3,4,5-triyl triacetate (14), respectively. Deprotection of the synthesized nucleosides was achieved by using methanolic ammonia. The structures of the newly synthesized nucleoside analogues were fully characterized by analytical methods (mass spectrometry, 1H NMR, 13C NMR, and elemental analysis). Read More

Acta Chim Slov 2018 Jun;65(2):253-265

Computational models of liver metabolism are gaining an increasing importance within the research community. Moreover, their first clinical applications have been reported in recent years in the context of personalised and systems medicine. Herein, we survey selected experimental models together with the computational modelling approaches that are used to describe the metabolic processes of the liver in silico. Read More

Acta Chim Slov 2018 Jun;65(2):470-474

This study investigates the degradation of imazapyr herbicide from wastewater by photocatalytic ozonation using TiO2 as a semiconductor. Effects of operational parameters on imazapyr removal efficiency including TiO2 dosing, initial herbicide concentration and pH were also studied. Obtained results showed that more than 90% of removal efficiency representing the disappearance of imazapyr was maintained until 7 µM in the presence of 200 mgL-1of UV100-TiO2. Read More

Acta Chim Slov 2018 Jun;65(2):380-387

Bauxites of different deposits were analysed for their content of TiO2 (mass %), using X-ray fluorescence spectrometry and the reference spectrophotometric method JUS B.G8.514. Read More

Acta Chim Slov 2018 Jun;65(2):278-288

In this study, a simple and novel electrochemical biosensor based on a glassy carbon electrode (GCE) modified with a composite of graphene oxide (GO) - silk fibroin nanofibers (SF) and gold nanoparticles (MCH/ssDNA/AuNPs/SF/GO/GCE) was developed for detection of DNA sequences. The fabrication processes of electrochemical biosensor were characterized by scanning electron microscopy (SEM), FT-IR and electrochemical methods. Some experimental conditions such as immobilization time of probe DNA and MCH incubation time, time and temperature of hybridization were optimized. Read More

Acta Chim Slov 2018 Jun;65(2):407-415

In this study, activated carbon-supported Co-Cr-B catalyst was synthesized by chemical impregnation and precipitation method for use in the catalytic hydrolysis of sodium borohydride (NaBH4). The activity of Co-Cr-B / activated carbon (5-20%) obtained by using different ratios was investigated while synthesizing activated carbon-supported Co-Cr-B catalyst. The effects of some parameters such as NaOH Concentration (0-5%), NaBH4 concentration (2. Read More

Acta Chim Slov 2018 Jun;65(2):312-318

In this research, the electro-catalytic activity of nickel-copper (Ni-Cu) alloy towards oxidation of ethanol and its possible redox process were investigated in alkaline solution. For this purpose, cyclic voltammetry, chronoamperometry and electrochemical impedance spectroscopy techniques were employed. According to the cyclic voltammetry studies, Ni- Cu alloy compared to pure nickel can demonstrate a significantly higher response for ethanol oxidation. Read More

Acta Chim Slov 2018 Mar;65(1):150-159

The present study focused on using microencapsulation technique to develop an antioxidant and antibacterial active smart cotton fabric using encapsulated lime oil (LO). LO microcapsules were prepared via the complex coacervation method using chitosan and gum arabic wall materials. UV-Visible and FTIR spectrometry verified the successful encapsulation of LO. Read More

Acta Chim Slov 2018 Mar;65(1):97-107

The present study reports the first time use of MCM-41 mesoporous silica as highly efficient carrier for bexarotene - an antineoplastic agent specific for cutaneous T-cell lymphoma treatment. Bexarotene is highly toxic and poor-water soluble, having low bioavailability in the conventional pharmaceutical forms. Comparative uptake of bexarotene on amino-functionalized silica host at various functionalization degrees is discussed in details taking into account all structural features, of matrix as well as properties of the drug molecules. Read More

Acta Chim Slov 2018 Mar;65(1):59-64

O,O'-diethyl-(S,S)-ethylenediamine-N,N'-di-2-(3-cyclohexyl)propanoate (DE-EDCP) is novel substance with cytotoxic activity in human leukemic cells. The aim of this study has been to predict in vivo bioavailability of the DE-EDCP and its potential metabolite (S,S)-ethylenediamine-N,N'-di-2-(3-cyclohexyl)propanoic acid (EDCP) by in vitro characterization which includes determination of lipophilicity and passive membrane permeability. There has also been evaluated inter-laboratory reproducibility of the bio-analytical method which was previously developed and validated for non-clinical study of the DE-EDCP and EDCP. Read More

Acta Chim Slov 2018 Mar;65(1):138-149

A novel ultrasound assisted-cloud point extraction method was developed for preconcentration and determination of V(V) in beverage samples. After complexation by pyrogallol in presence of safranin T at pH 6.0, V(V) ions as ternary complex are extracted into the micellar phase of Triton X-114. Read More

Acta Chim Slov 2018 Mar;65(1):75-85

Polythiacalix[4]amides as a novel category of polyamides, with high sorption capability towards some environmentally hazardous metal cations, especially Hg2+, have been synthesized via direct polycondensation protocol using a thiacalix[4] arene dicarboxylic acid and commercial diamines. The polyamides were obtained in high yields and possess inherent viscosities in the range of 0.55-0. Read More

Acta Chim Slov 2018 Mar;65(1):172-182

The hyperthermophilic archaeon Aeropyrum pernix has adapted to optimal growth under high temperatures in saline environments and under oxidizing conditions. In the present study, we focused on the antioxidative activity of proteins from A. pernix K1. Read More

Acta Chim Slov 2018 Mar;65(1):221-230

Most industrial waste discharges are often contaminated with phenolic compounds, which constitute a major source of water pollution owing to their toxicity and low biodegradability. Development of cost-effective treatment of such industrial wastewater is therefore of paramount importance. Towards this end, we explore the efficacy of Pine bark powder (PBP), which is an agricultural solid waste material, as a low-cost biosorbent without any pre-treatment, for the adsorptive removal of 2,4,6-trichlorophenol (2,4,6-TCP) from aqueous media. Read More

Acta Chim Slov 2018 Mar;65(1):160-165

In recent years, algal bioethanol production comes into prominence as a trend towards sustainable development. Due to being sustainable energy source and environmental friendly, bioethanol production from algae is becoming increasingly popular all over the world. However, yield of bioethanol production from algae is lower than first generation feedstock's currently, and needs to be improved. Read More

Acta Chim Slov 2018 Mar;65(1):246-252

A simple and efficient method is presented for the synthesis of benzodiazepines through the multicomponent reaction of o-phenylenediamine, various aldehydes and 5,5-dimethylcyclohexane-1,3-dione (dimedone) in the presence of the acidic bis ionic liquid 1,4-diazabicyclo[2.2.2]octanium diacetate under ultrasound irradiation. Read More

Acta Chim Slov 2018 Mar;65(1):127-130

The thermodynamic properties of carbamide and its alkyl substituted were studied insufficiently. In this article, the enthalpies of combustion of ΔсН of some amides, anilides and amidic acids have been determined experimentally; their standard enthalpies of formation have been calculated. Linear dependences between the average atomic enthalpy of combustion of ΔcH amides and their basicity constants in acidic aqueous solutions of pKBH + have been established; a correlation that relates the enthalpies of combustion of amides and the corresponding amidic acids has been found. Read More

Acta Chim Slov 2018 Mar;65(1):34-49

Series of 4H-chromone-based hydrazones 3a-z, pyrazolecarboxylates 5a-x and pyrazolylmethanones 6a-u were prepared and screened for their anti-proliferative activity on A549, HeLa, DU145 and MDAMB 231 cell lines. The hydrazone compound 3s with a chloro substituent on the chromanone moiety and a methoxy group on the phenyl ring displayed promising activity on A549, HeLa and DU145 cell lines. The compound 5p with a bromo substituent on the chromanone moiety and a methyl group on the phenyl ring displayed potent activity on DU145. Read More

Acta Chim Slov 2018 Mar;65(1):166-171

Oxidative treatment of a cationic dye solution, methylene blue, was investigated using magnetite nanoparticles and goethite in heterogeneous Fenton-like reaction, and ferrous ions in homogeneous Fenton-reaction. The aim was to compare the degradation efficiencies of the studied catalysts for decolorization of methylene blue solution as the model organic pollutant. Response surface methodology (RSM) was applied to determine the optimal operational conditions for magnetite/H2O2 and goethite/H2O2 systems. Read More

Acta Chim Slov 2018 Mar;65(1):191-198

Two new isostructural M(II) (M = Ni, Co) complexes with 2,2'-dipyridylamine (dipya) and dianion of terephthalic acid (H2tpht), [M(dipya)2(H2O)2](tpht) ∙ 2H2O, have been synthesized by ligand exchange reaction and characterized by single-crystal X-ray diffraction, FTIR spectroscopy, TG/DSC analysis and magnetic measurements. The crystal structures of [M(dipya)2(H2O)2](tpht) ∙ 2H2O consist of discrete complex units in which M(II) adopts deformed octahedral geometries. Two dipya ligands and two water molecules are coordinated to M(II) atom, tpht acts as a counter ion, while additional two water molecules remained uncoordinated. Read More

Acta Chim Slov 2018 Mar;65(1):108-118

A series of fifteen N4-benzyl substituted 5-chloroisatin-3-thiosemicarbazones 5a-o were synthesized and screened mainly for their antiurease and antiglycation effects. Lemna aequinocitalis growth and Artemia salina assays were carried out to determine their phytotoxicity and cytotoxicity potential. All the compounds proved to be extremely effective urease inhibitors, demonstrating enzyme inhibition much better than the reference inhibitor, thiourea (IC50 values 1. Read More

Acta Chim Slov 2018 Mar;65(1):23-33

A systematic DFT investigation of 3-hydroxy-N-phenylnaphthalene-2-carboxamide and its sixteen para-derivatives is presented. The structural analysis showed that the energetically preferred conformation of all derivatives is practically planar and it is stabilised via intramolecular hydrogen bonds occurring between (C)O.. Read More

Acta Chim Slov 2018 Mar;65(1):213-220

The equilibria of the chelate formation and ion-association in the liquid-liquid extraction system Mo(VI)‒3,5-DNC‒INT‒H2O‒CHCl3 were studied by spectrophotometry. The optimum conditions for the chelate formation and extraction of the ion-associated complex formed between the anionic chelate of Mo(VI)‒3,5-dinitrocatechol (3,5-DNC) and the cation of 2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyl-2H-tetrazolium chloride (INT) were established. The validity of Beer's law was checked and some analytical characteristics were calculated. Read More

Acta Chim Slov 2018 03;65(1):1-22

Aminothiazole nuclei and their various derivatives have been long used as precursors for the synthesis of biologically active molecules. As a typical heterocyclic amine, 2-aminothiazole is a cornerstone for the synthesis of many compounds, including sulfur drugs, biocides, fungicides, various types of dyes for synthetic fibers and chemical reaction accelerators and as intermediates in the synthesis of antibiotics, where a large number of 2-aminothiazoles have been substituted with different groups for various pharmaceutical purposes, besides their activity as corrosion inhibitors for mild steel protection as well. The synthetic utility of 2-amino-4-substituted-thiazoles, their reactions and biological activities have been surveyed and are presented in this review. Read More

Acta Chim Slov 2018 Mar;65(1):131-137

This paper presents synthesis, structural description and properties of a binuclear paddlewheel copper(II) carboxylate complex with formula [(py)Cu(μ-L)4Cu(py)], where py = pyridine and L = 4-fluorophenylacetate. Structural characteristics, electronic absorption and DNA-binding properties of the synthesized complex have been compared to those of the non-fluorinated analogues (where F is replaced by H, -CH3 and -OCH3) already reported and the modifications successfully ascribed to fluorine. The complex exhibits typical paddlewheel structure and there are two crystallographically independent molecules in the unit cell. Read More

Acta Chim Slov 2018 Mar;65(1):199-207

The synthesis of heterocyclic compounds has been a topic of significant interest because of their broad applications. In this research an effective and eco-friendly approach for the synthesis 1,4-dihydropyridines has been developed via the four-component reactions of arylamines, acetylenedicarboxylates, aromatic aldehydes and ethyl acetoacetate in the presence of Fe3O4@SiO2@OSO3H nanocomposite under solvent-free conditions. The advantages of this method involve the green reaction conditions, simple workup, broad substrates, excellent yields and the reuse of the nanocatalyst. Read More

Acta Chim Slov 2018 Mar;65(1):86-96

In this study, two oxazol-5-one derivatives, C20H20N2O2 (1) and C21H22N2O2 (2), were synthesized by getting condensed p-N,N-diethylaminobenzaldehyde with two presented hippuric acid derivatives and in further studies they were analysed spectrochemically. Molecular and crystal structures of the compounds were determined by single-crystal X-ray diffraction and the results revealed that the molecular packing of the crystal structures were stabilized by weak intraand intermolecular interactions also with C-O∙∙∙π, C-H∙∙∙π and π∙∙∙π stacking interactions. Computational studies were also performed using DFT method at B3LYP/6-311G(d,p) level of theory. Read More

Acta Chim Slov 2018 Mar;65(1):183-190

Quantum chemical calculations at DFT/B3LYP level of theory with 6-31G, 6-311G, and 6-311G(d,p) basis sets were done to correlate the inhibition of mild steel corrosion in 1 M H2SO4 by four dianiline Schiff bases namely N,N'-Bis(benzylidene)-4,4'-dianiline (DAA), N,N'-Bis (benzylidene)-4,4'-methylenedianiline (MDAA), N,N' Bis(benzylidene)-4,4'-sulphonyldianiline (SDAA) and N,N'-Bis(benzylidene)-4,4'-oxydianiline (ODAA) with their electronic and structural properties. Quantum chemical parameters such as the EHOMO, ELUMO, energy gap (ΔE), dipole moment (μ), global softness (σ), and global hardness (η) were calculated and discussed to provide valuable explanations for the reactivity and selectivity of the studied inhibitors. The results obtained showed a certain relationship to the experimental inhibition efficiency results earlier reported. Read More

Acta Chim Slov 2018 Mar;65(1):119-126

The paper presents the thermodynamic analysis of adenine adsorption on a mercury electrode in an acetate buffer at pH 3 and pH 4. Adsorption energy and constants were determined using the Frumkin isotherm and the virial isotherm. Stronger adsorption in the buffer at pH 3 was observed in comparison to the buffer at pH 4. Read More

Acta Chim Slov 2018 Mar;65(1):65-74

Different generations (G3-G4) of amine-terminated Jeffamine® T-403 core poly(amidoamine) PAMAM dendrimers (JCPDs) were used as new macromolecular heavy metal chelating agent templates in polymer assisted ultrafiltration (PAUF) for the investigation of their removal ability for some of the divalent metal ions: Cu, Co, Ni, Cd, and Zn from aqueous solutions under competitive conditions. The effects of pH and generation size of JCPDs were also investigated. Extent of binding (EOB) data can be appropriately expressed by a tetradentate coordination for JCPDs at pH 9 where the maximum removal of metal ions was observed. Read More