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Search results for: SOLUTION CHEMISTRY
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Experimental economics in business education: Using simple games to achieve multifaceted effects
PublicationEconomics differs from other sciences not only because of its normative part, but also because of very limited use of experiments. In this way, economics is often perceived as being methodologically more similar to astronomy or meteorology rather than physics or chemistry. Over last decades, however, experimental economics has been significantly developed. This chapter presents some of the possibilities for academic teachers to...
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Waste tire rubber as low-cost and environmentally-friendly modifier in thermoset polymers – a review
PublicationNowadays, waste tire rubber (WTR) management is a growing and serious problem. Therefore, research works focused on the development of cost-effective and environmentally-friendly methods of WTR recycling are fully justified. Incorporation of WTR into polymer matrices and composite materials attracts much attention, because this approach allows sustainable development of industrially applicable waste tires recycling technologies....
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Sequence-dependent structural properties of B-DNA: what have we learned in 40 years?
PublicationThe structure of B-DNA, the physiological form of the DNA molecule, has been a central topic in biology, chemistry and physics. Far from uniform and rigid, the double helix was revealed as a flexible and structurally polymorphic molecule. Conformational changes that lead to local and global changes in the helix geometry are mediated by a complex choreography of base and backbone rearrangements affecting the ability of the B-DNA...
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Hydration of Simple Model Peptides in Aqueous Osmolyte Solutions
PublicationThe biology and chemistry of proteins and peptides are inextricably linked with water as the solvent. The reason for the high stability of some proteins or uncontrolled aggregation of others may be hidden in the properties of their hydration water. In this study, we investigated the effect of stabilizing osmolyte–TMAO (trimethylamine N-oxide) and destabilizing osmolyte–urea on hydration shells of two short peptides, NAGMA (N-acetyl-glycine-methylamide)...
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Multi-residue method for the determination of 16 recently used pesticides from various chemical groups in aqueous samples by using DI - SPME coupled with GC-MS
PublicationA simple and solvent-free multi-residue method has been optimized to determine 16 currently used pesticides from different chemical groups in aqueous samples. The extraction of analytes was carried out with direct immersion solid-phase microextraction (DI-SPME) and for the identification and quantitative determination gas chromatography coupled with mass spectrometry (GC-MS) was applied. Two commonly used adsorbent coatings have...
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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublicationWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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Scholarly communication activities in the fields of chemistry and economics. A Polish perspective
PublicationThis study examines the scholarly communication activities in two scientific fields, chemistry and economics, in a Polish context. The dissertation aims at investigating what characterises the publishing choices of researchers and what supplementary forms for the dissemination of research output are used by scholars. In addition, the paper is looking into what are the views and awareness of open access and institutional repositories...
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Tailoring oxide nanoparticle exsolution in La0.5Ba0.5-yCo1-xFexO3-δ
PublicationWe show that oxide nanoparticles (NPs) exsolve on La0.5Ba0.5-yCo1-xFexO3-δ (x = 0-1, y = 0 or 0.01) in oxidizing conditions. The phenomenon occurs only in Co-containing materials and depends on pO2 and pH2O pressures. Under dry conditions, the smallest NPs average about 30 nm, with 200-300 NPs/µm2 at pO2=5×10-5 atm. For pO2=1 atm, NP size increases to 100-200 nm, and population drops to a few to about 20 NPs/µm2 depending on A-site...
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Novel chalcone-derived pyrazoles as potential therapeutic agents for the treatment of non-small cell lung cancer
PublicationLung cancer is considered to account for approximately one-fifth of all malignant tumor-related deaths worldwide and is therefore one of the most lethal malignancies. Pyrazole scaffold possesses a wide range of biological and pharmacological activities, which play important roles in medicinal chemistry. The present study reports the synthesis and in vitro biological characterization of nine pyrazoles derived from chalcones as potential...
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New achievements in the field of extraction of trace analytes from samples characterized by complex composition of the matrix
PublicationWithout any doubt, the monitoring of compounds present in samples at trace or ultra-trace level usually requires a preliminary step of isolation and/or enrichment of analytes due to the fact that majority of analytical techniques are not sensitive enough for direct determination of trace compounds. On the other hand, sample preparation is considered as crucial part of whole analytical procedures, in particular in samples characterized...
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Thermal and Chemical Expansion in Proton Ceramic Electrolytes and Compatible Electrodes
PublicationThis review paper focuses on the phenomenon of thermochemical expansion of two specific categories of conducting ceramics: Proton Conducting Ceramics (PCC) and Mixed Ionic-Electronic Conductors (MIEC). The theory of thermal expansion of ceramics is underlined from microscopic to macroscopic points of view while the chemical expansion is explained based on crystallography and defect chemistry. Modelling methods are used to predict...
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Comparison of Two Methods for the Determination of Selected Pesticides in Honey and Honeybee Samples
PublicationDeveloped and validated analytical methods for the determination of a wide spectrum of pesticide residues in honey and honeybee samples after the modification of QuEChERS extraction in combination with gas chromatography–tandem quadrupole mass spectrometry (GC-MS/MS) and liquid chromatography–tandem quadrupole mass spectrometry (LC-MS/MS) were discussed and compared. The developed methods were evaluated regarding the utilized equipment...
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Green Sample Collection
PublicationThe term of “green sample collection” is directly associated with both passive and dynamic analytical tools which allow for simultaneous management of the stage of collection and isolation and/or enrichment of a broad spectrum of chemical compounds from environmental samples. The use of passive sampling techniques at the stage of sample collection makes it possible to obtain in a simple yet inexpensive manner an analytical information...
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Glaciers as an Important Element of the World Glacier Monitoring Implemented in Svalbard
PublicationGlaciers are not only contributors to the sea level rise but also important players in the circulation of pollutants. Over a billion people apply glacial waters for domestic purposes; hence, both the quality and quantity of this water should be monitored. In this chapter, we concentrate on the archipelago Svalbard in the Arctic, a typical target area for xenobiotics from long range atmospheric transport (LRAT), holding an important share...
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Impact of dyes isomerization effect on the charge transfer phenomenon occurring on the dye/nanosemiconductor interface
PublicationThe present work aimed to find the answer how does the isomerization of the Ru based dyes affect the overall photon-to-current efficiency of the DSSCs and to explain the charge transfer phenomenon occurring on the dye/ nanosemiconductor interface. Therefore, electronic and optical properties of three bipyridine derivatives anchored on the TiO2 electrode were investigated by computational simulations based on quantum chemistry codes...
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MnxCo3-xO4 spinel oxides as efficient oxygen evolution reaction catalysts in alkaline media
PublicationThe design of efficient electrocatalysts for oxygen evolution reaction (OER) is an essential task in developing sustainable water splitting technology for the production of hydrogen. In this work, manganese cobalt spinel oxides with a general formula of MnxCo3-xO4 (x=0, 0.5, 1, 1.5, 2) were synthesised via a soft chemistry method. Non-equilibrium mixed powder compositions were produced, resulting in high electrocatalytic activity....
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Cytocompatibility of stabilized black phosphorus nanosheets tailored by directly conjugated polymeric micelles for human breast cancer therapy
PublicationThe novel procedure of few-layer black phosphorus (FLBP) stabilization and functionalisation was here proposed. The cationic polymer PLL and non-ionic PEG have been involved into encapsulation of FLBP to allow sufficient time for further nanofabrication process and overcome environmental degradation. Two different spacer chemistry was designed to bind polymers to tumor-homing peptides. The efficiency of functionalisation was examined...
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Potential of novel atomic emission techniques as a tool for investigation of the possibilities of using industrial waste as additives in construction materials
PublicationNowadays, due to the global ecological crisis and ways to prevent a climate disaster, more and more attention is paid to green techno-logies and green Chemistry, which are part of the so-called “The Green Deal.” The main assumption is the optimization of the processes of producing necessary goods and the implementation of methods of managing postproduction waste in the least environmentally harmful manner. In the presented research,...
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Peptide conjugates of lactoferricin analogues and antimicrobials—Design, chemical synthesis, evaluation of antimicrobial activity and mammalian cytotoxicity
PublicationEight new peptide conjugates composed of modified bovine lactoferricin truncated analogues (LFcinB) and oneof the three antimicrobials — ciprofloxacin (CIP), levofloxacin (LVX), and fluconazole (FLC) — were synthesized. Four different linkers were applied to connect a peptide and an antimicrobial agent. The FLC-containing peptidic conjugates were synthesized using the “click chemistry” method. This novel approach is reported here...
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Development and validation of an eco-compatible UV–Vis spectrophotometric method for the determination of Cu2+ in aqueous matrices
PublicationCu 2+ are ubiquitous ions in the ecosystem and are responsible of serious environmental pollution. Indeed, the development of sensitive methods for Cu 2+ detection is an urgent demand. In this work, we proposed a new spectrophotometric method for Cu 2+ determination in different water matrices (distilled water, drinking water, wastewater, and river water). The method employs a bio-based organic ligand namely tetrasodium iminodisuccinate...
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Nowoczesne metody termochemicznej konwersji biomasy w paliwa gazowe, ciekłe i stałe = Modern methods of thermochemical biomass conversion into gas, liquid and solid fuels
PublicationBiomass utilization through direct- or co-combustion with coal, based on coal, hydrogen and oxygen compounds chemical energy conversion into heat in boilers, is simultaneously the cheapest and - according to experts - economically least effective solution. In case of heat and electricity production in cogeneration process in biomass fueled heat and power stations (wood, straw, energetic plants, RDF etc), investment costs are little...
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Analysis of "green methanol" production from carbon dioxide acquired from negative emission power plants using CFD approach for catalytic reactor
PublicationThe growing global demand for energy, coupled with the urgent need to reduce carbon dioxide (CO₂) emissions, has led to the development of innovative energy cycles such as the negative CO₂ gas power plant (nCO2PP). Carbon dioxide storage and reuse in current industries is therefore becoming an important issue. The answer to this is the process of synthesizing methanol, commonly used in many industries from captured carbon dioxide...
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Assessment of Toxicity Associated with Inhalation of Potentially Toxic Elements Present in Combustible Tobacco Products: Cigars, Pipe Tobacco, Bidis and Cigarettes - an Evaluation of Risk Assessment Issues
PublicationSmoking-related diseases represent a substantial global health challenge, particularly given the direct inhalation of smoke into the vulnerable respiratory system. This method of consumption presents a challenge in classifying smoking in terms of exposure to toxins, in comparison to other forms of environmental contamination, such as food or air pollution. Combustible tobacco products (CTPs), including cigars, pipe tobaccos, bidis,...
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Composite 2D Material-Based Pervaporation Membranes for Liquid Separation: A Review
PublicationToday, chemistry and nanotechnology cover molecular separations in liquid and gas states by aiding in the design of new nano-sized materials. In this regard, the synthesis and application of two-dimensional (2D) nanomaterials are current fields of research in which structurally defined 2D materials are being used in membrane separation either in self-standing membranes or composites with polymer phases. For instance, pervaporation...
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AN ORIGINAL APPROACH IN THE FIELD OF PREPARATION REFERENCE MATERIALS OF VOLATILE ANALYTES
PublicationStandard gas mixtures (SGM) are indispensable reference materials for ensuring the reliability of analytical work. Reference materials are an excellent tool for the quality control and assurance of analytical results. Standard gas mixtures are unique among reference materials. The rapid progress of SGM production is connected with the instability of gaseous analytes which make them difficult to obtain. The use of standards with...
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New Polymeric Materials for Solid Phase Extraction
PublicationSolid phase extraction (SPE) is a popular sample preparation technique, which can be applied directly in gas–solid phase and liquid–solid phase, or indirectly to solid samples by using, e.g., thermodesorption with subsequent chromatographic analysis. Although SPE can be described as a physical extraction process involving a liquid phase and a solid phase, the increased use of packed sorbent formats seems to have led to a bias toward...
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Analysis of pesticide residue in fruits and vegetables using analytical analytical protocol based on application of QuEChERS technique and GC-ECD system
PublicationQuEChERS sample preparation method was used for the determination of 10 pesticides and their metabolites in fruits (apple, grape) and vegetables (tomato, paprika), coupled to gas chromatography with electron capture detector (GC-ECD). The experimental parameters including amount of the sample, types of solvents, extraction time and types of sorbent at the purification stage were optimized. The GC-ECD method was validated in terms...
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Green analytical chemistry metrics: A review
PublicationGreen analytical chemistry encourages reducing the use of toxic chemicals/reagents, using energy-efficient equipment, and generating minimal waste. The recent trends in analytical method development focus on the miniaturization of the sample preparation devices, the development of solventless or solvent-minimized extraction techniques, and the utilization of less toxic solvents. The twelve principles of GAC serve as a basic guideline...
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ANALYZING TITLES OF ECONOMY NEWS TO UNDERSTAND IMPACT OF COVID-19 ON ECONOMICAL SITUATION
PublicationCovid-19 affected the whole world in a short time, causing serious panic and uncertainty in society. Because it was an unprecedented disease, the medical community has worked hard to find out how to deal with it, and it continues to do so. The rapid spread of the disease, the shortage of hospital capacity and the increase in deaths drove the whole world to a closure, so to speak. In this time period, life in the world came to a...
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Closer look into the structures of tetrabutylammonium bromide–glycerol-based deep eutectic solvents and their mixtures with water
PublicationIn recent years, deep eutectic solvents (DES) and it’s mixture with water have become more and more attention as green solvents used in chemistry. However, there are only a few theoretical studies on the mechanisms of pure DES and DES-water complex formation. Therefore, the structural properties of tetrabutylammonium bromide–glycerol-based deep eutectic solvents and their mixtures with water have been investigated by means of Molecular...
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Factors affecting low-temperature cracking of asphalt pavements: analysis of field observations using the ordered logistic model
PublicationAccurate identification of factors that primarily affect the number of low-temperature cracks is crucial for selection of road materials and planning of pavement maintenance. Field investigations of lowtemperature cracks were performed in the years 2014 and 2020 on the same 68 road sections being in service in typical traffic conditions. The collected data were statistically analysed using the ordered logistic regression model....
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Deep Eutectic Solvents or Eutectic Mixtures? Characterization of Tetrabutylammonium Bromide and Nonanoic Acid Mixtures
PublicationDeep eutectic solvents have quickly attracted the attention of researchers because they better meet the requirements of green chemistry and thus have the potential to replace conventional hazardous organic solvents in some areas. To better understand the nature of these mixtures, as well as expand the possibilities of their use in different industries, a detailed examination of their physical properties, such as density, viscosity,...
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New Screening Protocol for Effective Green Solvents Selection of Benzamide, Salicylamide and Ethenzamide
PublicationNew protocol for screening efficient and environmentally friendly solvents was proposed and experimentally verified. The guidance for solvent selection comes from computed solubility via COSMO-RS approach. Furthermore, solute-solvent affinities computed using advanced quantum chemistry level were used as a rationale for observed solvents ranking. The screening protocol pointed out that 4-formylomorpholine (4FM) is an attractive...
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Deep eutectic solvents for the food industry: extraction, processing, analysis, and packaging applications – a review
PublicationFood factories seek the application of natural products, green feedstock and eco-friendly processes, which minimally affect the properties of the food item and products. Today, water and conventional polar solvents are used in many areas of food science and technology. As modern chemistry evolves, new green items for building eco-friendly processes are being developed. This is the case of deep eutectic solvents (DESs), named the...
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Heptaene macrolides biosynthesis by Streptomyces species
PublicationPolyene macrolides are one of the groups of secondary metabolites, generated by microorganisms belonging to the Streptomyces genus. These compounds, containing 3 - 7 conjugated double bonds systems in their molecules exhibit high antifungal activity against a broad spectrum of fungal pathogens with heptaenes demonstrating the highest antifungal potential. At the large extent, efficiency of biosynthesis of these natural products...
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Hydrophobic deep eutectic solvents in microextraction techniques–A review
PublicationOver the past decade, deep eutectic solvents (DES) have been widely studied and applied in sample preparation techniques. Until recently, most of the synthesized DES were hydrophilic, which prevented their use in the extraction of aqueous samples. However, after 2015 studies on the synthesis and application of hydrophobic deep eutectic solvents (HDES) has rapidly expanded. Due to unique properties of HDES i.e. density, viscosity,...
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Structural and electrical transport properties of Pr-doped SrTi0.93Co0.07O3-δ a novel SOEC fuel electrode materials
PublicationSolid Oxide Electrolyzer Cells (SOECs) are very promising electrochemical devices for the production of syngas (H2/CO) by H2O and CO2 co-electrolysis. The structure, microstructure and electrical properties of the fuel electrode material play a crucial role in the performance of the whole cell and efficiency of electrocatalytic reduction of steam into hydrogen. In the present work, a novel Co and Pr co-doped SrTiO3-δ material attracted...
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Potential applications of by-products from the coffee industry in polymer technology – Current state and perspectives
PublicationCoffee is one of the most popular beverages in the world, and its popularity is continuously growing, which can be expressed by almost doubling production over the last three decades. Cultivation, processing, roasting, and brewing coffee are known for many years. These processes generate significant amounts of by-products since coffee bean stands for around 50% of the coffee cherry. Therefore, considering the current pro-ecological...
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Investigation of tetrabutylammonium bromide-glycerol-based deep eutectic solvents and their mixtures with water by spectroscopic techniques
PublicationDeep eutectic solvents (DES) are formed by an acceptor and a donor of hydrogen bonds. They are generally considered as a possible alternative to hazardous organic solvents in various fields. Very recently they have also appeared in analytical chemistry, used mainly for the separation of analytes before instrumental quantification. For the development of new extraction procedures, it is important, among other things, to understand...
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Metals and metal-binding ligands in wine: Analytical challenges in identification.
PublicationBackground Due to important role of metals in the vinification process as well as their impact on the human health, their content in this alcoholic beverage has been extensively studied by many researchers. It is already known that speciation of metals determines their toxicity and bioavailability as well as influences their activity. Understanding the chemistry and knowing the structures of metal complexes could have relevant...
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Energy Yield Generated by a Small Building Integrated Photovoltaic Installation
PublicationIn the recent years photovoltaic (PV) industry has experienced a major growth, caused by the ever present annual decrease in module production prices and the expanding awareness of the general public in terms of renewable energy. There are numerous ways to implement PV modules as an additional energy source for a building, be it mounted on the rooftop, or building integrated (BIPV). An analysis of BIPV consisting of 8 modules with...
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Deep eutectic solvents – based green absorbents for effective volatile organochlorine compounds removal from biogas
PublicationVolatile organochlorine compounds (VOXs) presented in biogas can cause many technological and environmental problems. During the combustion of biogas containing VOXs, the corrosion of installation, as well as the formation of toxic by-products (polyhalogenated dioxins and furans) and further emission to the atmosphere, may occur. Therefore, in this study, a new procedure based on physical absorption was developed. In order to meet...
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Quinoline-based thiazolyl-hydrazones target cancer cells through autophagy inhibition
PublicationHeterocyclic pharmacophores such as thiazole and quinoline rings have a significant role in medicinal chemistry. They are considered privileged structures since they constitute several Food and Drug Administration (FDA)-approved drugs for cancer treatment. Herein, we report the synthesis, in silico evaluation of the ADMET profiles, and in vitro investigation of the anticancer activity of a series of novel thiazolyl-hydrazones based...
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Blue applicability grade index (BAGI) and software: a new tool for the evaluation of method practicality
PublicationIn this work, blue applicability grade index (BAGI) is proposed as a new metric tool for evaluating the practicality of an analytical method. BAGI can be considered complementary to the well-established green metrics, and it is mainly focused on the practical aspects of White Analytical Chemistry. This tool evaluates ten main attributes including the type of analysis, the number of analytes that are simultaneously determined, the...
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Mitigating metal-organic framework (MOF) toxicity for biomedical applications
PublicationMetal-organic frameworks (MOFs) are a novel class of crystalline porous materials, consisting of metal ions and organic linkers. These hybrid materials are highly porous and have a large specific surface area, making them of great interest for applications in gas separation, energy storage, biomedical imaging, and drug delivery. As MOFs are being explored for biomedical applications, it is essential to comprehensively assess their...
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The pulsed laser ablation synthesis of colloidal iron oxide nanoparticles for the enhancement of TiO2 nanotubes photo-activity
PublicationThe rapid, only a few minutes long synthesis of FeO, Fe3O4, and Fe2O3nanoparticles mixture utilizing the pulsedlaser ablation using simply pure iron target and water was demonstrated. The size and crystal phase of Fe-basedNPs were characterized using DLS and HR-TEM techniques, respectively. The metastable suspension of FeO,Fe3O4, and Fe2O3nanoparticles was used to the decoration of anodized TiO2nanotubes (TiO2-NTs) by means ofthe...
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Preparation and Characterization of Indomethacin Supramolecular Systems with β-Cyclodextrin in Order to Estimate Photostability Improvement
PublicationCyclodextrins have found wide application in contemporary chemistry, pharmacy andmedicine. Because of their unique properties, cyclodextrins are constantly used in research on solubility or stability improvement, as well as other physicochemical properties of medicinal substances. Indomethacin (IND) is a photolabile molecule that also attracts the interest of researchers due to its therapeutic potential and the need to...
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Enhanced electrochemical performance of sulfur-doped laser-induced graphene supercapacitors: Synergistic effects of doping and plasmochemical surface modification
PublicationThis work introduces a novel, scalable methodology for rapidly fabricating sulfur-doped laser-induced graphene with enhanced porosity and wetting characteristics, targeting advanced supercapacitor applications. An infrared laser scribing technique was employed to create a three-dimensional porous graphene network, with in-situ sulfur doping achieved through physical evaporation using powder precursor. A second-pass laser process...
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A total scoring system and software for complex modified GAPI (ComplexMoGAPI) application in the assessment of method greenness
PublicationEvaluating analytical methods with innovative metrics is essential to ensure the effectiveness of analytical procedures. Various approaches have been proposed to assess the performance of an analytical method and its environmental consequences, as sustainable environment and green chemistry ideology are of high importance nowadays. Considering greenness evaluation of developed analytical procedures, Green Analytical Procedure Index...
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The influence of reactions conditions on aggregation of dyes used in biochemistry
PublicationSelf-association of dyes and related substances is a very important phenomenon in many fields of applied chemistry. It is also fundamental model reaction of many kinds of molecular interactions such as the micelle formation of amphiphilic substances and the binding of small organic molecules to macromolecules. In spite of many studies concerning the dimerization equilibria of dyes and related substances, the mechanism seems not...