Sanja J Armaković

University of Novi Sad · Department of Chemistry, Biochemistry and Environmental Protection

This study investigates the nonlinear optical (NLO) properties of a newly synthesized pyrimidine derivative, N-(4-(4-fluorophenyl)-6-isopropyl-5-(methoxymethyl)pyrimidin-2-yl)-N-methylmethanesulfonamide (PMMS), with potential applications in advanced optical devices. The structure of PMMS was confirmed by single-crystal X-ray diffraction (SCXRD), a...

This study investigates the characterization and performance of self-cleaning TiO2 surfaces synthesized through a one-step preparation process, followed by enhancement via plasma treatment. The process involved coating aluminum foil with an acrylic paint mixture containing nanoparticles of different mass compositions and subsequent plasma treatment...

In this study, Cu-doped TiO2 combined with natural zeolite (ZT) was synthesized and applied as a fixed powder layer on poly(methyl methacrylate) (PMMA) tablets. The material’s morphology, structural, and chemical properties were characterized using high-resolution scanning electron microscopy, Raman spectroscopy, and Brunauer–Emmett–Teller analysis...

In this study, we developed TiO2-coated aluminum (TiO2/Al) surfaces using eco-friendly methods to create efficient and environmentally friendly photoactive materials with the potential to enhance water purification systems. TiO2 particles were deposited onto aluminum foil surfaces via a spray method, followed by heat treatment at 200 °C for 15 min....

This comprehensive review covers recent advancements in utilizing various types of polymers and their modifications as photocatalysts for the removal of pharmaceutical contaminants from water. It also considers polymers that enhance the photocatalytic properties of other materials, highlighting their dual role in improving water purification effici...

A simple yet convenient nucleophile-induced synthetic route for the construction of thermally stable fluorescent active functionalized stilbenes has been delineated. The nucleophile-induced base encouraged synthetic protocol was performed under mild conditions without harming the environment and products were achieved in good yields. The synthesize...

In the current study, we designed three novel compounds by merging two valuable nitrogen-containing pharmacophores, namely dihydropyrimidine (DHPM) and azole, within a single molecule. To obtain the target molecules, azole-linked benzaldehydes were initially synthesized via nucleophilic aromatic substitution reaction between 4-fluorobenzaldehyde an...

In this study, we report the synthesis of a new compound, N4,N4-dimethyl-2-(methylsulfanyl)-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine (DMS), and its comprehensive analysis through structural and spectroscopic characterizations, reactivity parameters, and nonlinear optical properties, utilizing a combination of experimental and computational techni...

The Autonomous Province (AP) of Vojvodina in Serbia is blessed with abundant surface water resources yet suffers from significant organic pollution due to inadequate waste management practices. In line with AP Vojvodina’s sustainability strategy, this project focuses on developing innovative technologies for managing industrial waste and removing o...

The study comprehensively investigates the design and performance of self-cleaning surfaces fabricated by coating aluminum foil with an acrylic paint matrix enriched with different content of titanium dioxide (TiO2) nanoparticles. The main goal was to assess the self-cleaning characteristics of the surfaces obtained. This study employs scanning ele...

Enhancing the full-spectrum light-driven hydrogen evolution of water splitting continues to be a pivotal challenge in the pursuit of advanced photocatalysts.

The inadequate existence of practical techniques for water purification poses a prominent and widespread global environmental challenge. This study aims to clarify the efficacy of xanthan application in the photocatalytic removal of nadolol, pindolol, and cefoperazone from water reservoirs. Under the influence of a simulated solar light source, xan...

Cefoperazone is a widely utilized antibiotic from the cephalosporins group to treat bacterial infections. Nevertheless, due to its extensive use as a β-lactam antibiotic, it has been found to accumulate in aquatic environments, leading to notable adverse effects on flora and fauna. Consequently, there arises a necessity for its removal from the env...

Pharmaceuticals such as nadolol (NAD) and cefoperazone (CEF) have been detected in natural waters and recognized as emerging pollutants with notable adverse effects on living organisms. Thanks to atomistic calculations, it is possible to predict the stability of pollutants and, thus, the efficiency of their removal from water. According to experime...

Water contamination from organic pollutants, particularly synthetic organic dyes, significantly threatens water quality and human health. These dyes, widely utilized in textiles, printing, and photography industries, are characterized by their large-scale production, toxicity, and slow biodegradation. Rhodamine B is particularly concerning among th...

The goal of validation is to provide an optimized method that provides reliable and accurate results. Optimization and validation of the Reversed-Phase High-Performance Liquid Chromatography (RP-HPLC) method are highly significant to pharmacy, agriculture, biomedicine, etc. This method is used for qualitative and quantitative analysis and quality c...

Cefoperazone is a widely utilized antibiotic from the cephalosporins group to treat bacterial infections. Nevertheless, due to its extensive use as a β-lactam antibiotic, it has been found to accumulate in aquatic environments, leading to notable adverse effects on flora and fauna. Consequently, there arises a necessity for its removal from the env...

Many scientific studies reported the presence of pharmaceuticals in surface and groundwater. The stability of pharmaceutical products in the environment mainly depends on susceptibility to hydrolysis, sorption, biodegradation, and photolysis. Direct and indirect photolysis, particularly in surface waters, are the main abiotic pathways for the degra...

Our study provides valuable insights into the photoinduced degradation of nadolol in the Danube River through catalytic oxidation with radicals. The presence of H2O2 under UV and UV-LED irradiation significantly enhanced degradation efficiency. The water matrix complexity had a significant impact on process efficiency. Nitrate, chloride, and sulfat...

In light of the scarcity of consumable water, it is imperative to discover an effective and environmentally friendly approach for treating contaminated water. Advanced oxidation processes, which leverage the powerful • OH radicals have proven to be effective in the degradation of organic micropollutants such as nadolol (NAD). Therefore, understandi...

Insecticides are used most extensively in agriculture, forestry, and horticulture. They are of chemical or biological origin and are intended to control and kill insects [1]. An insecticide, commercial formulation Lobo®, was examined in this work. The active component of Lobo® is imidacloprid. Imidacloprid is consistent, not accumulating in biologi...

Fungicides are chemical compounds that inhibit or eradicate the growth of fungi, fungal-like pathogens, and their spores [1]. They can be classified conveniently according to the three crucial aspects: mobility, mode of action, and time of application concerning the sub-phases of infection [2]. The fungicide Ridomil Gold® was used in this study, co...

This research aimed to identify the plant bioregulator with lower environmental risk for improving fruit and grape production through the comprehensive field, laboratory, and computational experiments. Plant bioregulators are compounds playing a vital role in the development of plants, regulating diverse cellular processes. Among these compounds, O...

The photocatalytic performance of Sr0.9La0.1TiO3 and Sr0.25Ca0.25Na0.25Pr0.25TiO3 perovskite–based catalysts were studied under different radiation types (simulated solar, LED, and UV radiation) for removal of metoprolol and pindolol. The results showed that both materials effectively removed metoprolol and pindolol, with the highest degradation ef...

With increasing food demand, agriculture modernization, and pesticide marketing, the use of pesticides has risen tremendously in the last few decades. To answer the needs of humanity, the widespread use of pesticides is inevitable in agriculture. Various studies have revealed that the exposure of humans to high concentrations of residual pesticides...

Türkiye’s founder, Mustafa Kemal Atatürk once wrote, "Our true mentor in life is science." What would he have thought about February 6, 2023. What was not done prior and post-disastrous Earthquakes? This research paper stands for the people whose lives were lost unnecessarily in this human tragedy. The research will illustrate the following in abso...

β-blockers are known to have negative effects on fish and other aquatic animal species, so their removal is key for preserving aquatic ecosystems. To reduce the risks related to β-blockers, it is necessary to assess their effects and develop more effective treatments such as advanced oxidation processes. Improving sewage treatments is a critical ap...

Developing modifiable natural products those having antiviral activities against SARS-CoV-2 is a key research area which is popular in current scenario of COVID pandemic. A diaryl heptanoid curcumin and its derivatives are already presenting promising candidates for anti-viral drug development. We have synthesized single crystals of a dimethylamino...

The emerging interest in the field of coordination chemistry and their biological applications has created a novel impact in the field of chemical biology. With this motivation, in this work we have synthesized a novel benzimidazole derived imine ligand, 2-((E)-((1H-benzo[d]-2-yl)methylimino)methyl)-4-fluorophenol (HBMF) and its Co(III) and Cu(II)...

Due to the inability of conventional wastewater treatment procedures to remove organic pharmaceutical pollutants, active pharmaceutical components remain in wastewater and even reach tap water. In terms of pharmaceutical pollutants, the scientific community focuses on β-blockers due to their extensive (over)usage and moderately high solubility. In...

Titanium dioxide (TiO2), one of the most frequently used materials in general, has emerged as an excellent photocatalytic material for environmental applications. In this review, principles and mechanisms of the photocatalytic activity of TiO2 have been analyzed. Structural and physical specificities of TiO2 nanoparticles, such as morphology, cryst...

Among pharmaceuticals in natural and wastewater, a significant increase is noted for β-blockers due to the rise in cardiovascular diseases. Usually, β-blockers are present in the environment in a mixture or combined with various organic pollutants. To prevent and eliminate β-blockers from the environment, there is a need for new efficient methods a...

Experimental and theoretical investigations of a novel compound, Orphenadrinium dihydrogen citrate (ODC) are reported. Wavenumbers are assigned by means of vibrational spectroscopy. The stability in solvents was tested by adding water, DMSO, and methanol to different solvent models. The solvation energies are −21.65 (acetone), –22.49 (DMSO) and –22...

Water pollution is a significant issue nowadays. Among the many different technologies for water purification, photocatalysis is a very promising and environment-friendly approach. In this study, the photocatalytic activity of Sr0.9La0.1TiO3 (SLTO) and Sr0.25Ca0.25Na0.25Pr0.25TiO3 (SCNPTO) nano-sized powders were evaluated by degradation of pindolo...

Recent events worldwide have reminded us that emerging challenges in front of humanity can be solved only through collaboration. Amidst the Covid19 outbreak, vaccines and health systems stood as the last sentinels of human existence. The ongoing energy crisis shows us that investment in sustainable energy sources should be intensified, while the po...

It is well known that pharmaceuticals may be found in wastewater and ambient surface waters at ng/dm3 and mg/dm3 concentrations (Vieno et al., 2007). Indirect photolysis is proven to be onе of the efficient methods for their removal from water. The additive, synergistic, or antagonistic effects of compounds or mixtures found in environmental sample...

Pharmaceuticals such as β-blockers have been widely recognized as a continuous threat to the environment. These compounds are discharged into the aquatic environment, while the traditional wastewater treatment plants (WWTP) cannot perform their efficient removal. Nadolol, a representative of the β-blockers family, has been detected in the treated w...

Pesticides are chemicals that are widely used in agriculture. They have several benefits, such as controlling harmful organisms and weeds that destroy crops and threaten people's lives. They also help farmers increase crop yields to provide enough food resources for a growing population, decrease food costs, and prevent sickness caused by moldy foo...

Cefoperazone belongs to the third generation of cephalosporin antibiotics. It is accumulated in water due to its overuse and causes bacterial, environmental, and health issues. In this work, the efficiency of photocatalytic degradation of cefoperazone was studied using different types of radiation (simulated solar, UV, and LED) in the presence of d...

This study investigated the potential of zeolites (NH4BETA, NH4ZSM-5, and NaY) to remove two frequently used dyes, methylene blue (MB) and rhodamine B (RB), from an aqueous environment. The removal of dyes with zeolites was performed via two mechanisms: adsorption and photocatalysis. Removal of dyes through adsorption was achieved by studying the F...

We present the atomistica.online, a web application for generating input files for the ORCA molecular modelling package. atomistica.online is entirely made with the Anvil platform, which allows the development of web applications using only Python programming language. ORCA is one of the most, if not the most, powerful molecular modelling tools cov...

Cefoperazone belongs to the third generation of cephalosporin antibiotics. It is accumulated in water due to its overuse and causes bacterial, environmental, and health issues. In this work, the efficiency of photocatalytic degradation of cefoperazone was studied using different types of radiation (simulated solar, UV, and LED) in the presence of d...

Nadolol (NAD), one of the representatives of β-blockers, is used to treat cardiovascular diseases such as angina and hypertension. Due to its frequent use, it has been detected in hospital wastewater from which it is not removed efficiently enough, so it reaches natural waters. The lack of a satisfactorily efficient method for removing NAD from was...

Recent findings have shown that the controlled release of anesthetic molecules via adsorption by nanomaterials is a promising approach to prolonging the effects of local anesthesia. In this work, we have addressed the interactions between graphene and the best-known dental anesthetic molecules: novocaine, lidocaine, and articaine, intending to cont...

Water pollution is a significant issue nowadays. Among many different technologies for water purification, photocatalysis is a very promising environmental-friendly approach [1]. In this study, a photocatalytic activity of Sr0.9La0.1TiO3 and Sr0.25Ca0.25Na0.25Pr0.25TiO3 nano-sized powders were evaluated by degradation of metoprolol (MET) and pindol...

In this article, the synthesis, experimental vibrational spectroscopic analysis (FT-IR and FT-Raman) and theoretical calculations of Quiniline derivative 3-[(4-Carboxyphenyl) carbamoyl]-4-hydroxy-2-oxo-1, 2-dihydroxy quinoline-6-carboxylic acid (CPCHODQ6C) were studied. The investigation of the IR and Raman spectra of the molecule under study, supp...

The current emergence of drug-resistant and multidrug-resistant (MDR) Mycobacterium tuberculosis (Mtb) strains has complicated and hampered attempts to eliminate or considerably reduce the global prevalence of the often life-threatening disease tuberculosis (TB). Hence, the development of novel antitubercular agents is crucial to combat this challe...

The spectral characterization of 6-Chloro-N-(3-iodo-4-methylphenyl)-pyrazine-2-carboxamide (CIMPPC) was executed by FT-IR and FT-Raman spectroscopic methods and density functional theory (DFT) computations have been carried using B3LYP/gen method. On the basis of potential energy distribution (PED) the vibrational assignments of the wavenumbers wer...

By FT-IR, FT-Raman and DFT computations spectral characterization of 3-[(4-Carboxyphenyl) carbamoyl]-4-hydroxy-2-oxo-1, 2-dihydroxy quinoline-6-carboxylic acid was performed. Computational calculations were done using B3LYP/6-31G(d’) basis set. Vibrational assignments of wavenumbers were performed on the basis of potential energy distribution. Dono...

1,7,8,9-tetrachloro-10,10-dimethoxy-4-[3-(4-benzylpiperazine-1-yl)propyl]-4-azatricyclo[5.2.1.02,6] dec-8-ene-3, 5-dione (TCDBPAD) have been calculated theoretically to obtain optimized geometry, vibrational frequencies and corresponding vibrational assignments. Charge transfer within the molecule was evaluated using HOMO and LUMO analysis. By hype...

Amiloride (AMI) is a representative of diuretics. Among other purposes, it is utilized for high blood pressure or swelling induced by heart failure. While it is identified as one of the safest medicines available, it is also listed in the World Anti-doping Agency's list of substances banned in sport, because it is considered a masking agent. Since...

Phоtоlytic and phоtocatalytic degradatiоn of pharmaceuticals metoprolol (MET) and propranolol (PRO) was investigated in different types of environmental waters (Jegrička, Trbušnica, DTD, and Topli Do) in the presence оf UV–LED radiation, as well as their mixture. During direct photolysis and photocatalysis of MET and PRO, higher degradation efficie...

Highly functionalized spirocyclic ketals were synthesized through asymmetric oxidative spirocyclization via carbanion-induced ring transformation of 2H-pyran-2-ones with 1,4-cyclohexandione monoethyleneketal under alkaline conditions. Further acidic-hydrolysis of obtained spirocyclic ketals yields highly substituted 2-tetralone in good yield. Compu...

To evaluate the impact of chalcogen atom type, we performed a comparative study of antioxidant capacity and antiproliferative activity of a focused library of three pyridine-based hydrazonyl-1,3-selenazoles and their sulfur isosteres in five antioxidant assays and in six human solid tumor cell lines, respectively. In-silico calculations were furthe...

Investigation of the local reactive properties, ALIE and Fukui functions of 3-(adamantan-1-yl)-4-phenyl-1-[(4-phenylpiperazin-yl)methyl]-1H-1,2,4-triazole-5(4H)-thione (APMT) are reported using DFT method. The BDE for hydrogen abstraction served us to determine the mechanism of autoxidation is possible for the title molecule. The MD simulations exp...

In this work, density functional theory (DFT) and symmetry-adapted perturbation theory (SAPT) calculations, together with molecular dynamics (MD) simulations, were used to study the interaction between sumanene molecule and 5-fluorouracil (5-FU). 5FU is a known and frequently employed cytostatic drug. To better understand the effects of the curvatu...

A new titanium/molybdenum/mixed-oxides (TMO) contact-type heterojunction photocatalyst was prepared by a simple, low-cost, and environmentally-friendly mixing-calcination solid-state method. A microstructural investigation by scanning electron microscopy (SEM) showsirregularly shaped agglomerated morphology of TMO that consists of firmly connected...

Spectroscopic analysis of 1-(2-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (FPTT) is reported. Experimental and theoretical analyses of FPTT, with molecular dynamics (MD) simulations, are reported for finding different parameters like identification of suitable excipients, interactions with water, and sensitivity towards autoxidation. Molec...

Anthracenes are aromatic compounds with flexible structure and reactivity which are of great interest to theoretical and experimental chemists. Theoretical investigations of 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione (Mitoxantrone) (DDEA) based on density functional theory, molecular dynamics and adsorption on ful...

A straightforward catalyst-free synthetic approach has been developed for the synthesis of quinoxaline derivative, 4-phenyl-4-(pyridin-2-yl)-4,5-dihydropyrrolo[1,2-a]quinoxaline (L) by the reaction of 2-benzoyl pyridine and pyrrole-1-anillin in ethanol. The L in presence...

A set of molecular descriptors have been calculated and used in order to identify the most reactive parts of bioactive molecules, brucine (BRU) and colchicine (COL). Comparison of various physico-chemical properties has been performed in order to investigate stability. Besides global and local reactive parameters, attention has been paid to the aut...

In this work, environmental aspects of the application of TiO2 have been considered. The photocatalytic application of TiO2 for removing organic compounds that accumulate in the water resources has provided highly efficient results. The motivation for the application of TiO2 has been found because this material possesses a suitable combination of p...

β-blockers are the most commonly detected pharmaceuticals in wastewater. The stability of metoprolol (MET) and propranolol (PRO), as typical representatives of this group of compounds, were analyzed in environmental waters. Environmental waters were sampled in Temerin, Jegrička puddle, and at Old Mountain, the spring water source Topli Do. The phys...

Nowadays, environmental pollution is very serious and increasing attention is dedicated to the presence of pharmaceuticals that accumulate in the environment. Metoprolol (MET) and propranolol (PRO) belong to the group of β-blockers often found in wastewater. Photocatalytic degradation of MET and PRO in a mixture was examined in different natural wa...

The active components of drugs detected in the environmental waters are the compounds with potential risk to the aqueous and terrestrial organisms. In this work, we have experimentally isolated the active component (metoprolol) from the commercially available drug (Presolol), which was detected in environmental and tap waters. A significant contrib...

This work combined experimental and computational analysis to investigate the stability and reactivity of diuretic pharmaceutical hydrochlorothiazide (HCTZ) detected in drinking and environmental waters. The HCTZ hydrolysis and photolysis were investigated in ultrapure and three different environmental waters, at (5±1) °C and (25±1) °C in the dark...

Spectroscopic analysis, DFT studies and surface enhanced Raman scattering of antimicrobial bioactive (Z)-2-[5-(5-bromo-2-hydroxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl]acetic acid (BPTA) have been studied on different silver sols. Very large changes are observed for Raman and SERS bands. Observed variations in the ring modes may be due to surfa...

Spectroscopic analysis of 1-(2-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (FPTT) is reported. Experimental and theoretical analysis of FPTT, with Molecular Dynamics (MD) simulations, are reported for finding different parameters like: identification of suitable excipients, interactions with water, and sensitivity towards autoxidation. Mole...

We have proposed the structures of three 1,3,5-triazine-2,4-diamine analogs and subjected them to density functional theory (DFT) calculations and molecular dynamics (MD) simulations to assess their potential for applications in the area of organic electronics. Calculations encompassed reorganization energies, charge transfer rates, charge mobiliti...

An antiviral azatricyclo derivative is characterized experimentally and analyzed by DFT and MD simulations. Local reactivity properties are provided by ALIE and Fukui function. Oxidation properties and radial distribution functions are calculated by bond dissociation energies of hydrogen abstraction and molecular dynamics simulations. Pronounced in...

Different types of calcium channels are crucial regulators of many key physiological functions throughout the body. Therefore, calcium channel modulators are accepted as precious molecules for the therapeutic intervention of various pathologies ranging from cardiovascular to neurological diseases. 1,4-dihydropyridines (DHPs) primarily target L-type...