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Search results for: organic chemistry
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Development and validation of a method for the simultaneous analysis of fatty acid ethyl esters, ethyl sulfate and ethyl glucuronide in neonatal meconium: application in two cases of alcohol consumption during pregnancy
PublicationAlcohol consumption during pregnancy constitutes one of the leading preventable causes of birth defects and neurodevelopmental disorders in the exposed children. Fatty acid ethyl esters (FAEEs), ethyl glucuronide (EtG) and ethyl sulfate (EtS) have been studied as potential biomarkers of alcohol consumption. However, most analytical approaches proposed for their analysis in meconium samples consist of separated extraction procedures...
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The effect of adding a standard on the result of determination of polychlorinated biphenyls in bottom sediment samples
PublicationBottom sediments are a very important component of aquatic ecosystems. The sediment matrix is highly diverse and heterogeneous; in consequence, compounds entering the aquatic environment from different sources are considerably enriched at its surface. Bottom sediments are regarded as natural sorbents, since they accumulate many harmful substances, such as heavy metals and stable organic contaminants.Extraction is a key stage in...
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Towards an integrated assessment of environmental and human health impact of energy sector in Poland
PublicationReferat prezentuje system zintegrowanej oceny wpływu sektora energetycznego na stan środowiska i zdrowie ludzkie w Polsce. W podejściu wykorzystano kombinację modelu transportu zanieczyszczeń w powietrzu POLAIR 3D z modelem informacyjno-symulacyjnym RAINS. Model oszacowuje emisje i koncentracje zanieczyszczeń powietrza, koszty kontroli emisji zanieczyszczeń i inne koszty związane z różnymi scenariuszami rozwoju sektora energetycznego.The...
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The CON−H…+NH2 Blue-Shifting H-Bond Stabilizing Effect on Z Secondary Amides and Cyclic System Conformational Rearrangement through an Alkylamine-Chain Migration Pathway
PublicationThe paper is focusing on the amide linkage exceptional properties and usage of chemistry (conformational rearrangement, geometrical stereoisomers, spectroscopic blue shift phenomenon, protonation and deprotonation reactions, synthetic scope, and mechanistic implications). Hydrogen-bond-stabilized acylation reactions of a diamine with thioamides or nitriles reveal how substituents influence both the outcome of stereoselectivity...
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Novel sorptive extraction techniques in bioanalysis evaluated by Blue Applicability Grade Index: The paradigm of fabric phase sorptive extraction and capsule phase microextraction
PublicationFabric phase sorptive extraction (FPSE) and capsule phase microextraction (CPME) are two sol-gel derived microextraction techniques that emerged in the last decade towards the minimization of the environmental impact of conventional sample preparation approaches. Complementary to the well-established green metric tools, Blue Applicability Grade Index (BAGI) was recently proposed for the evaluation of method’s practicability. In...
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Water and chemical properties of hydrometeors over central european mountains
PublicationAtmospheric pollutants are transferred to the groundby the contribution of various types of hydrometeors. Because ofthe different techniques of measurement, comparative analysesbetween them are often neglected. Hence, the main goal is tocompare water volume and chemistry of different types ofhydrometeors and their role in both: water balance and pollutantsdeposition. The results of water input and atmospheric depositschemistry...
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Modeling the global atmospheric transport and deposition of mercury to the Great Lakes
PublicationMercury contamination in the Great Lakes continues to have important public health and wildlife ecotoxicology impacts, and atmospheric deposition is a significant ongoing loading pathway. The objective of this study was to estimate the amount and source-attribution for atmospheric mercury deposition to each lake, information needed to prioritize amelioration efforts. A new global, Eulerian version of the HYSPLIT-Hg model was used...
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Potential applications of crude glycerol in polymer technology–Current state and perspectives
PublicationThe increasing use of bio-based fuels and fuel additives, among them biodiesel, causes significant surplus of crude glycerol on the market which creates new challenges in terms of its sustainable utilization. A lot of ways for the incorporation of this by-product into different branches of industry requires purification by expensive and complicated processes. Therefore, researchers are seeking for applications of untreated crude...
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Theoretical study of the photoelectron spectrum of ethyl formate: Ab initio and density functional theory investigation
PublicationThe first ionization energy and associated photoelectron spectrum of ethyl formate are investigated with quantum chemistry calculations. The geometries, harmonic vibrational frequencies and first ionization energy are computed at the Hartree-Fock (HF) and at the second order Moller-Plesset perturbation theory (MP2). Moreover, accurate ionization energies are obtained with the Coupled-Cluster theory including singles and doubles...
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Spatial characterization of H 2: CH 4 dissociation level in microwave ECR plasma source by fibre-optic OES
PublicationSpatially resolved optical emission spectroscopy (SR-OES) was used to investigate microwave activated H2/Ar/CH4 plasma under conditions of the electron cyclotron resonance (ECR). The chemistry and composition of the gas phase were studied using self-designed fibre-optic system with echelle type spectrometer during CVD deposition of polycrystalline diamond. One-dimensional intensity profiles of the main species were collected along...
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“Green” nature of the process of derivatization in analytical sample preparation
PublicationNowadays, the idea of Green Analytical Chemistry (GAC) is of high importance what impacts on the rapid growth in the sample preparation area with special emphasis on sample preparation simplification, miniaturization, and automation. Because the derivatization process is often an essential element of the analytical procedure, it should be important to focus on this issue from GAC perspective and conduct a series of experiments...
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A new tool for the evaluation of the analytical procedure: Green Analytical Procedure Index
PublicationA new means for assessing analytical protocols relating to green analytical chemistry attributes has been developed. The new tool, called GAPI (Green Analytical Procedure Index), evaluates the green character of an entire analytical methodology, from sample collection to final determination, and was created using such tools as the National Environmental Methods Index (NEMI) or Analytical Eco-Scale to provide not only general but...
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Quality Model for Integrated Security Monitoring and Control in Water Distribution Systems
PublicationThis article addresses the problem of drinking water distribution system (DWDS) security in the terms of water quality which in the era of terrorist threat is of high importance to the public. The contribution of this paper is the development of the so called security module to extend a multi-species water quality model. This gives an insight to the situation in DWDS not only under normal operational conditions but also in case...
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Chitin and derivative chitosan-based structures — Preparation strategies aided by deep eutectic solvents: A review
PublicationThe high molecular weight of chitin, as a biopolymer, challenges its extraction due to its insolubility in the solvents. Also, chitosan, as the N-deacetylated form of chitin, can be employed as a primary material for different industries. The low mechanical stability and poor plasticity of chitosan films, as a result of incompatible interaction between chitosan and the used solvent, have limited its industrialization. Deep eutectic...
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Hydroxyl and sulfate radical-based degradation of ciprofloxacin using UV-C and/or Fe2+-catalyzed peroxymonosulfate: Effects of process parameters and toxicity evaluation
PublicationCiprofloxacin (CIP) is a valuable antibiotic and discharged in huge quantities in aquatic environment. Different •OH and SO4•−-based advanced oxidation technologies (AOTs), e.g., Fe2+/PMS, UV-C/PMS, and UV-C/Fe2+/PMS are developed for treatment of CIP. The removal of CIP by Fe2+/PMS, UV-C/PMS and UV-C/Fe2+/PMS was 63, 77, and 87 %, respectively, under identical conditions which showed better performance of UV-C/Fe2+/PMS. The UV-C/Fe2+/PMS...
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Olfactory receptor-based biosensors as potential future tools in medical diagnosis
PublicationThe detection of biomarkers is the future of non-invasive medical diagnosis and screening. Discovery and identification of reliable disease specific volatile organic compounds is dependent on repeatable, accurate analysis of trace level gaseous analytes mainly in breath samples. Natural variety of the olfactory systems and the compounds capable of gas molecules binding creates wide possibilities of acquisition and implementation...
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Facile formation of self-organized TiO2 nanotubes in electrolyte containing ionic liquid - ethylammonium nitrate and their remarkable photocatalytic properties
PublicationThe oriented TiO2 nanotube arrays (NTs) are identified as a stable, active and recyclable photocatalytic surface. However, their photoactivity is strictly depended on morphology (especially length), which could be controlled by anodic oxidation parameters, including electrolyte properties. To control the morphology, were successfully synthesized a series of NTs by a novel approach where ionic liquid (IL), ethylammonium nitrate...
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Scheelite-Type Wide-Bandgap ABO4 Compounds (A = Ca, Sr, and Ba; B = Mo and W) as Potential Photocatalysts for Water Treatment
PublicationIn the present study, alkaline-earth metal scheelite-type compounds ABO4 (A = Ca, Sr, Ba, B = Mo, W) synthesized by a hydrothermal method were systematically studied. The as-obtained photocatalysts were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), Brunauer-Emmett-Teller surface area analysis (BET), UV–Vis diffuse reflectance spectroscopy (DR/UV-Vis), photoluminescence, and thermoluminescence (TL)...
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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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Application of multicriteria decision analysis in solvent type optimization for chlorophenols determination with a dispersive liquid–liquid microextraction
PublicationThis study presents a novel support tool for the optimization and development of analytical methods. The tool is based on multi-criteria decision analysis (MCDA), namely the Technique for Order of Preference by Similarity to the Ideal Solution (TOPSIS), that allows users to rank possible solutions according to their requirements. In this study, we performed rankings of pairs of eight extraction and three dispersive solvents used...
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Mass Spectrometry-Based Direct Analytical Techniques
PublicationDirect analysis of samples is considered as one of the most environmentally sustainable solutions in analytical chemistry. In the ideal case, such solutions do not require sample preparation and analytes separation steps, therefore do not consumpt harmful substances (or consumpt only minimum amounts of them) and do not generate hazardous waste. Technical solutions for direct analysis also offer miniaturized and field-portable analyzers...
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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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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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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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Maillard-reaction (glycation) of biopolymeric packaging films; principles, mechanisms, food applications
PublicationBackground The biodegradable, biocompatible, sustainable, and renewable nature of biomaterials has led to increased interest in developing biopolymeric food packaging films (BFPFs) with green ingredients and strategies. To enhance the performance of these films, biopolymer molecules can be modified or combined with additives like nanomaterials, cross-linkers, bioactive compounds, and other polymers, particularly with Maillard-reaction...
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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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...