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Acta Chimica Slovenica
Journal Prestige (SJR): 0.274

Citation Impact (citeScore): 1
Number of Followers: 2

This is an Open Access Journal

Open Access journal
ISSN (Online) 1580-3155
Published by Slovenian Chemical Society

[1 journal]

Fabrication of Zirconium Silicate Reinforced Superhydrophobic Coating for
the Evaluation of Corrosion-Resistance
- Authors: Mubarak Ali Muhamath Basha, Sathiya Srinivasan
  Pages: 1 - 12
  Abstract: The present work investigates on anodisation of aluminium in 1.0 M sodium oxalate and methodically evaluates the influence of zirconium silicate as an additive. The effect of additive upon structure, morphology, micro hardness and composition of the coating formed under various anodising conditions has been examined comprehensively. The surface of the coating was modified by stearic acid and its immersion time was optimized. The dependence of surface morphology, kinetic parameters, and microstructural characteristics of the coating on electrolyte /additive concentration, anodising time, and the temperature has also been inspected. X-ray diffraction (XRD), Scanning Electron Microscopy (SEM) combined with EDAX studies indicates the beneficial role of zirconium silicate towards the formation of crystalline coating with improved corrosion-resistant characteristics. The static water contact angle on the surface-modified coatings was 122° ± 0.4°. This contact angle of super hydrophobic coating has been improved by KOH treatment (152.76o ± 0.4°) which is obtained under optimized conditions exhibit the corrosion resistance (1.68 × 108 Ω cm-1)which is nearly 8 times higher than that of bare aluminium (8.36 × 101 Ω cm-1). The efficacies of the surface-modified coatings against bacteria that are commonly encountered in marine (Desulfovibrio desulfuricans) and medical applications (Staphylococcus aureus and Escherichia coli) are also demonstrated.
  PubDate: 2022-03-15
  DOI: 10.17344/acsi.2021.6519
  Issue No: Vol. 69, No. 1 (2022)
DRUŠTVENE VESTI IN DRUGE AKTIVNOSTI – SOCIETY NEWS,
ANNOUNCEMENTS, ACTIVITIES
- Authors: Stanislav Oražem
  Pages: 1 - 48
  PubDate: 2022-03-15
  Issue No: Vol. 69, No. 1 (2022)
Synthesis of Fused Quinoline Derivatives With Antiproliferative Activities
and Tyrosine Kinases, Pim-1 Kinase Inhibitions
- Authors: Rafat Milad Mohareb, Rehab Ali Ibrahim, Amira Mohamed Elmetwally, Marwa Soliman Gamaan
  Pages: 13 - 29
  Abstract: Cyclohexan-1,3-dione (1) reacted with either 2-aminoprop-1-ene-1,1,3-tricarbonitrile (2a) or diethyl 3-amino-2-cyanopent-2-enedioate (2b) to give the 5,6,7,8-tetrahydronaphthalene derivatives 3a and 3b, respectively. The latter compounds underwent further heterocyclization reactions to give the thieno[2',3':5,6]benzo[1,2-e][1,3]oxazine derivatives. On the other hand, the reaction of compound 1 with trichloroacetonitrile afforded the (2,2,2-trichloroethylidene)cyclohexane derivative 14. The latter underwent a series of reactions to produce 2,3,6,7-tetrahydroquinazoline, dihydrothieno[2,3-h]isoquinoline, octahydrobenzo[h]quinazoline and dihydrothieno[2,3-h]isoquinoline derivatives. The synthesized compounds were tested toward six cancer cell lines where most of them gave high inhibitions with c-Met enzymatic activity, with tyrosine kinases and Pim-1 inhibitions. The results obtained will encourage further work through such compounds to produce optimized anticancer agents.
  PubDate: 2022-03-15
  DOI: 10.17344/acsi.2021.6733
  Issue No: Vol. 69, No. 1 (2022)
Glucose-Decorated Silica-Molybdate Complex: A Novel Catalyst for Facile
Synthesis of Pyrano[2,3-d]-Pyrimidine Derivatives
- Authors: Arezoo Pourkazemi, Negin Asaadi, Mahnaz Farahi, Ali Zarnegaryan, Bahador Karami
  Pages: 30 - 38
  Abstract: This article describes the preparation and identification of SiO2@Glu/Si(OEt)2(CH2)3N=Mo[Mo5O18] as a new bifunctional acid-base catalyst (both acidic and basic Lewis sites). Aminopropyltriethoxysilane was first reacted with hexamolybdate anions and then treated with glucose to prepare Glu/Si(OEt)2(CH2)3N=Mo[Mo5O18]. Nano-silica was then modified by the prepared glucose/molybdate complex to obtain SiO2@Glu/Si(OEt)2(CH2)3N=Mo[Mo5O18]. The developed catalyst was characterized by FT-IR, EDX, XRD, FE-SEM and TGA analyzes. Its catalytic efficiency was investigated for the preparation of pyrano[2,3-d]pyrimidine derivatives by the reaction between various aldehydes, malononitrile and barbituric acid. The desired products were prepared in the presence of 0.004 g of the prepared catalyst in high to excellent yields.
  PubDate: 2022-03-15
  DOI: 10.17344/acsi.2021.6819
  Issue No: Vol. 69, No. 1 (2022)
Synthesis of Glucose/Fructose Sensitive Poly(ethylene glycol) Methyl Ether
Methacrylate Particles with Novel Boronate Ester Bridge Crosslinker and
their Dye Release Applications
- Authors: Şeküre Yıldırım, Hasan Akyıldız, Zeynep Çetinkaya
  Pages: 39 - 48
  Abstract: In this study, it is aimed to develop glucose/fructose sensitive poly(ethylene glycol) methyl ether methacrylate (PEGMA) particles which can be employed in controlled drug delivery applications. For this purpose, a boric acid based crosslinker was synthesized using 4-vinylphenylboronic acid and its formation was confirmed by 1H-NMR and FT-IR analyses. Sugar-sensitive polymeric particles were then achieved using this crosslinker and PEGMA monomer in single step and surfactant free emulsion polymerization technique. Polymeric particles were characterized by DLS, SEM, and TEM in terms of size and morphology. In order to determine the sensitivity of the particles to sugar molecules, first Rhodamine B dye (as a model drug) loading experiments were performed. Then, the particles were subjected to glucose/fructose rich media and dye release was monitored as a function of time using UV-Vis spectrophotometry. The results of the current study revealed that the PEGMA particles were more sensitive to fructose (~39% release) compared to glucose (~25% release) at pH 7.4 and 310 K.
  PubDate: 2022-03-15
  DOI: 10.17344/acsi.2021.6838
  Issue No: Vol. 69, No. 1 (2022)
Proposal of an HPLC/UV/FLD Screening Method for the Simultaneous
Determination of Ten Antibiotics in Environmental Waters
- Authors: Idalia Francisca Carmona-Alvarado, Maria de la Luz Salazar-Cavazos, Noemi Waksman de Torres, Aurora de Jesús Garza-Juarez, Lidia Naccha Torres, Jose Francisco Islas, Norma Cavazos-Rocha
  Pages: 49 - 59
  Abstract: An HPLC-UV/FLD method for simultaneous detection of ten antibiotics in surface waters was developed. Antibiotics were extracted from water using solid phase extraction. An Atlantis T3 column was used with acetonitrile and 0.05% trifluoroacetic acid as a mobile phase for separation, with a total running time of 45 min. Signal detection was performed at 280 nm; fluoroquinolones were additionally quantified by fluorescence detection. Validation parameters such as linearity, recovery and precision were evaluated. The limits of detection (LOD) in river waters were in the range 0.1-1.3 µg/L for antibiotics detected by UV, and 0.039 and 0.073 µg/Lfor fluoroquinolones detected by FLD. LOD are sufficiently low to consider this method as a first alternative for HPLC-MS methods that will allow alerting for the presence of antibiotics in surface waters. This screening method is rapid, sensitive, reproducible and economical.
  PubDate: 2022-03-15
  DOI: 10.17344/acsi.2021.6870
  Issue No: Vol. 69, No. 1 (2022)
The Effect of Heuristics on the Reasoning of the Pre-Service Science
Teachers on the Topic of Melting and Boiling Point
- Authors: Gülen Önal Karakoyun, Erol Asiltürk
  Pages: 60 - 72
  Abstract: The purpose of this study was to explore the effects of the heuristics on the reasoning processes of pre-service science teachers on the topic of melting and boiling point using the ten heuristic model proposed by Talanquer. In this phenomenographic study carried out in the spring semester of the 2018-2019 academic year, interviews were conducted with 30 teacher candidates enrolled in the Science Teaching Program of Firat University Faculty of Education. Participants were asked to answer three different questions during the interviews. These questions were about the ranking of some compounds according to their melting or boiling points. Six different answer patterns for each question were obtained from the answers. The findings of this study showed that students generally used shortcut strategies instead of analytical/scientific reasoning, as all ten heuristics affected participants' reasoning. This study also revealed that although not included in the model proposed by Talanquer, periodic trends heuristic also influenced participants' reasoning about the melting and boiling point.
  PubDate: 2022-03-15
  DOI: 10.17344/acsi.2021.6899
  Issue No: Vol. 69, No. 1 (2022)
Synthesis of the New
1-(7-Methoxy-1-benzofuran-2-yl)-3-(4-methylphenyl)prop-2-en-1-one and
Controlling of Spectroscopic, Optical and Conductivity Properties by
Concentration
- Authors: Demet Coskun, Mehmet Fatih Coskun, Bayram Gunduz
  Pages: 73 - 80
  Abstract: Chalcone derivatives have an important place in science due to their different applications ranging from their semiconductor properties to biological properties. In this work 1-(7-methoxy-1-benzofuran-2-yl)-3-(4-methylphenyl)prop-2-en-1-one (2) has been prepared by condensation of 1-(7-methoxy-1-benzofuran-2-yl)ethanone with 4-methylbenzaldehyde in basic medium. The chemical structure of 2 was confirmed by elemental analysis, FT-IR, 1H NMR and 13C NMR. UV spectroscopic characteristics, absorption band edges, optical band gaps, refractive indices, environmental behaviors and conductivity properties of 2 in solutions at different concentrations were investigated in detail. With the concentration, we examined how the spectroscopic, optical and conductivity properties of 2 have changed and can be controlled.
  PubDate: 2022-03-15
  DOI: 10.17344/acsi.2021.6990
  Issue No: Vol. 69, No. 1 (2022)
Effects of Individual and Co-exposure of Copper Oxide Nanoparticles and
Copper Sulphate on Nile Tilapia Oreochromis niloticus: Nanoparticles
Enhance Pesticide Biochemical Toxicity
- Authors: Özgür Fırat, Rabia Erol, Özge Fırat
  Pages: 81 - 90
  Abstract: Copper, like iron and zinc, is one of the most essential trace elements for organisms. Different forms of copper have distinctive and specific uses. For example, copper oxide nanoparticles (CuO-NP) are widely used in the world as a nanomaterial. Copper sulphate (CuSO4) is worldwide used as a fungicide in agriculture and as an algaecide in aquaculture. Nowadays, the increasing use of these chemicals raises concerns regarding their potential effects on the health of aquatic organisms and ecological risks. Therefore, in the present research, toxic effects of CuSO4 and CuO-NP, alone and in combination, were evaluated using biochemical markers (plasma biochemical and gill and liver oxidative stress) in freshwater fish, Oreochromis niloticus. The fish were exposed to 0.05 mg/L CuSO4, CuO-NP, and CuSO4+CuO-NP for 4 and 21 days. Especially at 21 days, CuSO4 and CuO-NP, alone and combined, generally increased plasma alkaline phosphatase, aspartate aminotransferase, alanine aminotransferase, lactate dehydrogenase, cortisol, glucose, creatinine, blood urea nitrogen, and tissue malondialdehyde while they decreased plasma total protein, and tissue superoxide dismutase, catalase, glutathione-S-transferase, glutathione reductase, and glutathione. Consequently, our results illustrate that CuSO4 and CuO-NP have similar toxic effects in fish, however, co-exposure of CuO-NP and CuSO4 is more toxic than effects of these chemicals alone.
  PubDate: 2022-03-15
  DOI: 10.17344/acsi.2021.6995
  Issue No: Vol. 69, No. 1 (2022)
A Facile Synthesis of Bioactive Five- and Six-membered N-heterocyclic
Aromatic Compounds Using AlCoFe2O4 as a Green Catalyst
- Authors: Fatemeh Mostaghni, Homa Shafiekhani, Nosrat Madadi Mahani
  Pages: 91 - 97
  Abstract: Nitrogen-containing heterocycles have been extensively studied due to their broad biological and pharmaceutical applications. In this study, we synthesized five- and six-membered nitrogen-containing rings through one-pot multicomponent reaction using an aluminium-doped cobalt ferrite nano-catalyst. The nano-catalyst was prepared by the co-precipitation method from the corresponding metal salts. The obtained results show that the proposed catalyst has a high efficiency and has enabled the formation of the desired products with high efficiency and purity. In addition, simplicity of operation, facile purification of products, shorter reaction times, mild reaction conditions, easy separation and recyclability of the catalyst, are the main advantages of this catalyst.
  PubDate: 2022-03-15
  DOI: 10.17344/acsi.2021.7021
  Issue No: Vol. 69, No. 1 (2022)
Synthesis and Application of Silica Supported Calix[4]arene Derivative as
a New Processing Aid Agent for Reducing Hysteresis of Tread Rubber
Compounds Used in Low Rolling Resistance Tires
- Authors: Seyedeh Nazanin Sadat-Mansouri, Nasrin Hamrahjou, Saeed Taghvaei-Ganjali, Reza Zadmard
  Pages: 98 - 107
  Abstract: Rolling resistance is one of the most important properties of a tire which is highly dependent on the viscoelastic properties of its rubber compounds. There are a lot of ways to reduce this parameter both in construction improvement of the tire and changing in rubber compound formulation especially in tire tread formulation. Rubber scientists have been trying to introduce new processing aid agents beyond the traditional tire components for reducing the rolling resistance. In this study, a unique structure of silica-supported calix[4]arene (SS-CSC[4]A) has been synthesized and applied as a processing aid agent in tire tread formulation. Fourier-transform infrared spectroscopy (FTIR), Nuclear Magnetic Resonance (1HNMR and 13CNMR), 29Si CP/MAS spectroscopy, thermal gravimetric analysis (TGA), elemental analysis, and acid-base titration were used to characterize its structure. Scanning Electron Microscopy (SEM) use to investigate the effect of prepared material on qualification of filler dispersion in the rubber matrix. The viscoelastic properties of the prepared rubber compound were measured by Dynamic Mechanical Thermal Analysis (DMTA) which showed the great decrease in rolling resistance of rubber compound based on SS-CSC[4]A as a processing aid agent. The mechanical and rheological properties of obtained tread rubber compound measured by tensometer and MDR rheometer showed no sensible changes in these properties.
  PubDate: 2022-03-15
  DOI: 10.17344/acsi.2021.7050
  Issue No: Vol. 69, No. 1 (2022)
A Novel Solid-State PVC-Membrane Potentiometric Dopamine-Selective Sensor
Based on Molecular Imprinted Polymer
- Authors: Nurşen Dere, Zuhal Yolcu, Murat Yolcu
  Pages: 108 - 115
  Abstract: A novel solid-state polyvinylchloride (PVC) membrane potentiometric dopamine-selective microsensor was constructed based upon dopamine-imprinted polymer used as the ionophore in the membrane structure. The optimum membrane composition was determined as 4% (w/w) MIP, 69% (w/w) bis(2-ethylhexyl) sebacate (DOS), 26% (w/w) PVC, and 1% (w/w) potassiumtetrakis(4-chlorophenyl) borate (KTpClPB). The detection limit of the microsensor was determined to be 3.71×10-7 mol.L-1. The microsensor exhibited a super-Nernstian response for dopamine over the concentration range of 10-6−10-1 mol.L-1, with a short response time (<15 s) and a slope of 60.3±1.3 mV per decade (R2: 0.9998) over seven weeks. The microsensor was effectively performed in a pH range of 4.0−8.0 and a temperature range of 5−30 °C. The microsensor has been successfully demonstrated for the rapid, accurate, selective and reproducible determination of dopamine in pharmaceutical formulations with the recovery of 104.3-104.8%. The obtained results were in good harmony with the UV-Vis results at a confidence level of 95%.
  PubDate: 2022-03-15
  DOI: 10.17344/acsi.2021.7053
  Issue No: Vol. 69, No. 1 (2022)
Combustion Synthesis of Nano Fe2O3 and its Utilization as a Catalyst for
the Synthesis of Nα-Protected Acyl Thioureas and Study of Anti-bacterial
Activities
- Authors: Raghavendra Mahadevaiah, Lalithamba Shankraiah Haraluru, Latha Haraluru Kamalamma Eshwaraiah
  Pages: 116 - 124
  Abstract: A simple and eco-friendly nano Fe2O3 heterogeneous catalytic system is described for the synthesis of acyl thiourea derivatives from corresponding in situ generated acyl isothiocyanates and amino acid esters in acetone obtained in good yields. The structures of synthesized acyl thioureas were confimed by 1H NMR, 13C NMR, mass, and FTIR analysis. Fe2O3 NPs has been prepared via a solution combustion route using ascorbic acid as the reducing agent and ferric nitrate as the source of iron. The prepared nano material has been characterized by XRD, SEM, UV-Visible, and FTIR analysis. More prominently, the Fe2O3 and other impurities are removed though a simple work-up and the material prepared shows to be effective in catalyzing the conversion of reactants to products in good yields. Further, some of the synthesized acyl thioureas were evaluated for in vitro antibacterial activity against Staphylococcus aureus and Escherichia coli.
  PubDate: 2022-03-15
  DOI: 10.17344/acsi.2021.7055
  Issue No: Vol. 69, No. 1 (2022)
Acetyl Cellulose Film with 18-crown-6 Ether for Colorimetric Phosgene
Detection
- Authors: Martin Lobotka, Vladimír Pitschmann, Zbyněk Kobliha
  Pages: 125 - 132
  Abstract: The use of a cellulose detection film as a carrier for a colorimetric sensor to detect phosgene and allied compounds to be evaluated primarily visually is studied. For the case study, a benzimidazole-rhodamine dye and an acetyl cellulose film were selected. The detection complex was modified using cyclic ether 18-crown-6 to achieve more desirable analytic properties. The chromatic properties of detection film was verified using reflectance colorimetry in the visible light spectrum. The employed detection agent demonstrated high sensibility to phosgene vapours, but acid gases, acyl chlorides, base organic solvents, and in higher concentrations, even some organophosphorus substances interfered. The detection film application was adjusted to the in-situ preparation of simple detection devices (a spray or a marker) as well as to manufacture detection strips with beforehand excluded polymer film.
  PubDate: 2022-03-15
  DOI: 10.17344/acsi.2021.7092
  Issue No: Vol. 69, No. 1 (2022)
Modulation of Cerium Carbonate Crystal Growth by Polyvinylpyrrolidone
using Density Functional Theory
- Authors: Deyun Sun, Yanhong Hu, Mao Tang, Ze Hu, Peng Liu, Zhaogang Liu, Jinxiu Wu
  Pages: 133 - 146
  Abstract: Cerium carbonate crystal morphology is predicted using density functional theory (DFT) simulations in this paper. In the nucleation phase, the ketone group in polyvinylpyrrolidone (PVP) will preferentially bind to Ce3+ to form complexes and provide heterogeneous nucleation sites for the system, prompting the nucleation of cerium carbonate crystals. In the growth stage, due to the adsorption of PVP, the probability of (120) crystal plane appearing in the equilibrium state is the greatest, resulting in the formation of hexagonal flake cerium carbonate crystals with (120) crystal plane as the oblique edge. Experimentally, hexagonal sheet cerium carbonate crystals were successfully prepared using PVP as a template agent. Therefore, DFT can be used to predict the morphology of cerium carbonate crystals, which not only elucidates the growth mechanism of cerium carbonate crystals, but also greatly reduces the experimental cost.
  PubDate: 2022-03-15
  DOI: 10.17344/acsi.2021.7097
  Issue No: Vol. 69, No. 1 (2022)
Synthesis, Structure, Thermal Decomposition and Computational Calculation
of Heterodinuclear NiII – ZnII Complexes
- Authors: Yaprak Gürsoy Tuncer, Hasan Nazır, Kübra Gürpınar, Ingrid Svoboda, Nurdane Yılmaz, Orhan Atakol, Emine Kübra İnal
  Pages: 147 - 156
  Abstract: Mononuclear NiL complex was prepared by the use of bis-N,N'-salicylidene-1,3-propanediamine and Ni(II) salts. NiL was treated with ZnBr2 and pyrazole and 3,5-lutidine coligands in a dioxane medium to prepare the following diheteronuclear complexes: [NiL·ZnBr2·(pyrazole)2] and [NiL·ZnBr2·(3,5-lutidine)2]. The complexes were characterized by elemental analysis, TG, IR and mass spectrometry. The effects of heterocyclic one- and two- nitrogen atoms containing co-ligands were also examined. Theoretical formation enthalpies, dipole moments and the relative levels of HOMO and LUMO energies were determined by the use of Gaussian09 program. The occupancy levels of the atomic orbitals were determined by the NBO analysis of Gaussian09. The effect of pyrazole and lutidine upon the complex formation was evaluated by the use of X-ray diffraction, TG and theoretical calculations. NiL complex with lutidine forms a square pyramidal conformation since lutidine is a much stronger coligand than pyrazole.
  PubDate: 2022-03-15
  DOI: 10.17344/acsi.2021.7126
  Issue No: Vol. 69, No. 1 (2022)
Synthesis, Characterization, X-Ray Crystal Structures and Antibacterial
Activity of Zinc(II) and Vanadium(V) Complexes Derived from
5-Bromo-2-((2-(methylamino)ethylimino)methyl)phenol
- Authors: Cheng Liu
  Pages: 157 - 166
  Abstract: Three new zinc(II) and one vanadium(V) complexes, [Zn2Cl2L2] (1), [Zn2I2L2] (2), [ZnCl2(HL)] (3), and [V2O2(μ-O)2L2] (4), where L is 5-bromo-2-((2-(methylamino)ethylimino)methyl)phenolate, have been synthesized and characterized by elemental analyses, IR and UV-Vis spectra, as well as molar conductivity. Structures of the complexes were confirmed by single crystal X-ray diffraction. Complexes 1 and 2 are isostructural dinuclear zinc compounds, with the Zn atoms in square pyramidal coordination. The Zn atoms in the mononuclear complex 3 are in tetrahedral coordination. Complex 4 is a dinuclear vanadium(V) compound, with the V atoms in octahedral coordination. The complexes were assayed for antibacterial activities by MTT method.
  PubDate: 2022-03-15
  DOI: 10.17344/acsi.2021.7167
  Issue No: Vol. 69, No. 1 (2022)
The Students’ Perceptions Using 3DChemMol Molecular Editor for
Construction and Editing of Molecular Models
- Authors: Danica Dolničar, Bojana Boh Podgornik, Vesna Ferk Savec
  Pages: 167 - 186
  Abstract: The paper presents a study in which 54 university students were introduced to a newly developed, free, web-based 3DChemMol molecular editor with a toolbar, which they then evaluated. The tool aims to increase representational competence related to submicroscopic representations. Students who used the software for the first time, were instructed to create molecular models using the model building/editing tools in three activities with varying levels of difficulty: 1) building a simple model (butanoic acid), 2) converting one model (hexane) into two models, 3) converting from a non-cyclic to a cyclic structure (glucose). It took students from two up to 15 minutes to accomplish each of the activities. Several types of help were available in the 3DChemMol molecular editor toolbar to assist students during their activities, including a video tutorial, button hovering, action status display, and a help menu. Undo/redo and restart options were also available. Students’ completion level, difficulties, and use of the help features were investigated using student self-evaluation questionnaires. The 3DChemMol molecular editor proved to be a useful support for students in completing simple chemistry activities. Students were successful in model building, although they encountered some specific difficulties, especially in steps that involved spatial operations, such as rotating the selected part of molecule around the bond. In students’ perception, the video tutorials were the preferred and most frequently used type of help, and the undo function was considered essential. The results suggest that the 3DChemMol molecular editor can be used effectively in introductory chemistry courses at the tertiary level, whether for direct instruction, self-study, or other forms of support in the pedagogical process. The results and new findings of this study will be used to further optimize the interface in future versions of the evaluated tool.
  PubDate: 2022-03-15
  DOI: 10.17344/acsi.2021.7181
  Issue No: Vol. 69, No. 1 (2022)
Synthesis of New Regioisomers of 5-Nitro-1,4-Naphthoquinone, Evaluation of
Antioxidant and Catalase Inhibition Activities
- Authors: Aesha FSH Abdassalam, Nahide Gulsah Deniz, Cigdem Sayil, Mustafa Ozyurek, Emin Ahmet Yesil, Huseyin Salihoglu
  Pages: 187 - 199
  Abstract: The studies on nitronaphthoquinone derivatives are rare in the literature, and the nitro group associated with the aromatic ring in the quinone system is known to increase the biological activity of naphthoquinone due to its electron-withdrawing properties. In the course of quinone derivatives, the new N(H)-substituted-5-nitro-1,4-naphthoquinones (NQ) as regioisomers were synthesized by reactions of 2,3-dichloro-5-nitro-1,4-naphthoquinone with some heterocyclic ring substituted nucleophiles such as anilines, piperazines, or morpholines, according to a Michael 1,4-addition mechanism. Five NQ regioisomer couples having different functional group (2-chloro-isomers 3, 5, 7, 9 and 13; 3-chloro-isomers 2, 4, 6, 8 and 12) are reported here. All new synthesized compounds were characterized by spectroscopic methods and two-dimensional NMR techniques 1H–1H correlated spectroscopy (COSY).The synthesized NQ regioisomers were evaluated for catalase enzyme inhibitory activities and antioxidant efficiency. The synthesized regioisomers were screened for their antioxidant capacity using the cupric-reducing antioxidant capacity (CUPRAC) method. 2-Chloro-3-((2,4-dimethoxyphenyl)amino)-5-nitronaphthalene-1,4-dione (5) showed the highest antioxidant capacity with a 1.80±0.06 CUPRAC-trolox equivalent antioxidant capacity (TEAC) coefficient. Compound 5 also showed strongest catalase enzyme inhibitory activity. The antioxidant capacity results of all 2-chloro regioisomers are higher than the 3-chloro regioisomers. Likewise, also catalase enzyme inhibitory activities results were determined in the same way, except for one regioisomer pair. The catalase was effectively inhibited by the newly synthesized compounds, with % inhibition values in the range of 0.71–0.86%. Some of these NQ compounds also showed remarkable antioxidant capacities.
  PubDate: 2022-03-15
  DOI: 10.17344/acsi.2021.7123
  Issue No: Vol. 69, No. 1 (2022)
Metal Based Bioactive Nitrogen and Oxygen Donor Mono and Bis Schiff Bases:
Design, Synthesis, Spectral Characterization, Computational Analysis and
Antibacterial Screening
- Authors: Sajjad Hussain Sumrra, Wardha Zafar, Sabaahatul Ain Malik, Khalid Mahmood, Syed Salman Shafqat, Saira Arif
  Pages: 200 - 216
  Abstract: The scientific interest in developing the advanced metal based compounds to inhibit and control bacterial infections is continuously rising. Keeping in view their pharmacological significance, two new bioactive symmetrical phenylenediamine mono- and bis-Schiff bases, 2-{[(4-aminophenyl)imino]methyl}-6-methoxyphenol (L1) and 2,2'-{benzene-1,2-diylbis[nitrilomethylylidene]}bis(6-methoxyphenol) (L2) have been synthesized and characterized by using physical techniques, spectral methods, elemental and DFT based computational analysis with B3LYP/6-311++G(d, p) basis set. Furthermore, the synthesized ligands were complexed with VO, Mn, Co, Ni, Cu and Zn ions in ratio [M:L,1:2 and 1:1], respectively. All the complexes exhibited significant antibacterial action against all tested bacterial strains. But overall, the zinc complexes possessed higher antibacterial activity. These results concluded that metal complexes might be promising induction in the upcoming time for medical purposes.
  PubDate: 2022-03-15
  DOI: 10.17344/acsi.2021.7182
  Issue No: Vol. 69, No. 1 (2022)
Metal and Non-Metal Modified Titania: the Effect of Phase Composition and
Surface Area on Photocatalytic Activity
- Authors: Boštjan Žener, Lev Matoh, Martin Reli, Andrijana Sever Škapin, Romana Cerc Korošec
  Pages: 217 - 226
  Abstract: The application of TiO2 photocatalysis in various environmental fields has been extensively studied in the last decades due to its ability to induce the degradation of adsorbed organic pollutants. In the present work, TiO2 powders doped and co-doped with sulfur and nitrogen and modified with platinum were prepared by particulate sol-gel synthesis. PXRD measurements revealed that the replacement of HCl with H2SO4 during synthesis reduced the size of the crystallites from ~ 30 nm to ~20 nm, increasing the surface area from ~44 m2/g to ~80 m2/g. This is consistent with the photocatalytic activity of the samples and the measured photocurrent behavior of the photocatalysts. The results showed that the properties of the powders (i.e., surface area, crystallite size, photocurrent behavior) depend strongly not only on the type but also on the amount of acid and dopants used in the synthesis. Doping, co-doping and modification of TiO2 samples with nitrogen, sulfur and platinum increased their photocatalytic activity up to 6 times.
  PubDate: 2022-03-15
  DOI: 10.17344/acsi.2021.7200
  Issue No: Vol. 69, No. 1 (2022)
Synthesis, Crystal Structure and Separation Performance of
p-tert-butyl(tetradecyloxy)calix[6]arene
- Authors: Wei Zhang, Zhi-qiang Cai, Xiao-min Shuai, Wei Li, Qiu-chen Huang, Ruo-nan Chen, Qi-qi Zang, Fei-fei Li, Tao Sun
  Pages: 227 - 234
  Abstract: This work describes the investigation of separation performance of the p-tert-butyl(tetradecyloxy)calix[6]arene (C6A-C10-OH) as stationary phase for gas chromatography (GC) separations. Its structure was characterized by IR, 1H NMR, 13C NMR, MS and single-crystal X-ray diffraction analysis. The C6A-C10-OH column shows good separation capacity for aliphatic, aromatic and cis-/trans- isomers. Especially, it exhibits multiple molecular recognition interactions for the analytes with a wide range of polarity, including dispersion, π-π, H-bonding and dipole-dipole interactions. The present work provides experimental and theoretical basis for the designing of the new calixarene stationary phases in GC analyses.
  PubDate: 2022-03-15
  DOI: 10.17344/acsi.2021.7218
  Issue No: Vol. 69, No. 1 (2022)
Two Oxidovanadium(V) Complexes with Hydrazone Ligands: Synthesis, Crystal
Structures and Catalytic Oxidation Property
- Authors: Yan Lei
  Pages: 235 - 242
  Abstract: Two new oxidovanadium(V) complexes, [VOL1(aha)]DMF (1) and [VOL2(mat)] (2), where L1 and L2 are the dianionic form of N'-(4-bromo-2-hydroxybenzylidene)-3-methyl-4-nitrobenzohydrazide and N'-(3,5-dibromo-2-hydroxybenzylidene)pivalohydrazide, respectively, and aha and mat are the monoanionic form of acetohydroxamic acid and maltol, respectively, have been synthesized and structurally characterized by physico-chemical methods and single crystal X-ray determination. X-ray analysis indicates that the V atoms in the complexes are in octahedral coordination. Crystal structures of the complexes are stabilized by hydrogen bonds. The catalytic property for epoxidation of styrene by the complexes was evaluated.
  PubDate: 2022-03-15
  DOI: 10.17344/acsi.2021.7296
  Issue No: Vol. 69, No. 1 (2022)
Crystallography and DFT Studies of Synthesized Tetraketones
- Authors: Elma Veljović, Krešimir Molčanov, Mirsada Salihović, Una Glamočlija, Amar Osmanović, Nevzeta Ljubijankić, Selma Špirtović-Halilović
  Pages: 243 - 250
  Abstract: Two tetraketone derivatives, one previously reported and one novel, were synthesized, whose structures have been confirmed by elemental analyses, NMR, HPLC-MS, and IR spectroscopy. The crystal structures of synthesized tetraketones were determined using X-ray single-crystal diffraction. To analyze the molecular geometry and compare with experimentally obtained X-ray crystal data of synthesized compounds 1 (2,2'-((4-nitrophenyl)methylene)bis(5,5-dimethylcyclohexane-1,3-dione)) and 2 (2,2'-((4-hydroxy-3-methoxy-5-nitrophenyl)methylene)bis(5,5-dimethylcyclohexane-1,3-dione)), DFT calculations were performed with the standard 6-31G*(d), 6-31G**, and 6-31+G* basis sets. The calculated HOMO-LUMO energy gap for compound 1 was 4.60 eV and this value indicated that compound 1 is chemically more stable compared to compound 2 whose energy gap was 3.73 eV. Both compounds' calculated bond lengths and bond angles were in very good accordance to experimental values determined by X-ray single-crystal diffraction.
  PubDate: 2022-03-15
  DOI: 10.17344/acsi.2021.7329
  Issue No: Vol. 69, No. 1 (2022)