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Search results for: physical organic chemistry
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Performance of organic coatings upon cyclic mechanical load
PublicationA number of engineering structures fail due to the fatigue damage resulting from cyclic mechanical stress. However, as far as organic coatings are concerned this degradation factor remains underestimated. In the paper the authors propose a methodology combining global electrochemical impedance spectroscopy and local atomic force microscopy measurements for evaluation of coating resistance to an impact of repetitive mechanical stress. Typical...
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Analytical eco-scale for assessing the greenness of analytical procedures
PublicationWe propose the analytical eco-scale as a novel comprehensive approach to evaluating the greenness of analytical methodology. It is based on assigning penalty points to parameters of an analytical process that are not in agreement with the ideal green analysis. This approach compares different parameters and different steps of the analytical process. Traditional green chemistry metrics 9e.g. Atom Economy, E-factor and Reaction Mass...
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Photoconduction in the archetype organic hole transporting material TPD
PublicationW pracy przedstawiono charakterystykę fotoprzewodnictwa w zależności od przyłożonego pola elektrycznego, długości fali i natężenia światła wzbudzającego molekuły pochodnej diaminy (TPD)wykorzystywanej powszechnie jako organiczny przewodnik dziurowy w organicznych diodach elektroluminescencyjnych. Układy z pojedynczą warstwą TPD, kwarc/ITO/TPD/Al i kwarc/Al/TPD/Al, zostały wzbudzane od strony podłoża kwarcowego. Przy długościach...
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Photoconduction in the archetype organic hole transporting material TPD
PublicationW pracy opisano mechanizm fotoprzewodnictwa w układzie ITO/warstwa TPD/Al oraz Al/warstwa TPD/Al, gdzie TPD oznacza dwaminę powszechne stosowaną jako transporter dziur w organicznych diodach EL.
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Selective adsorption of BTEX on calixarene-based molecular coordination network determined by 13C NMR spectroscopy
PublicationBenzene, toluene, ethylbenzene, and xylenes (BTEX), a class of volatile organic compounds, are harmful pollutants but also very important precursors in organic industrial chemistry. Among different approaches used for the BTEX treatment, the adsorption technology has been recognized as an efficient approach because it allows to recover and reuse both adsorbent and adsorbate. However, the selective adsorption of the components is...
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Book Chapter in the Prime Archives in Chemistry: 2nd Edition (dissemination of knowledge)
PublicationTo cite a chapter in a book include: Jaroslaw Spychala. 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. In: VSR Rajasekhar Pullabhotla, editor. Prime Archives in Chemistry: 2nd Edition. Hyderabad, India: Vide Leaf. 2022. https://doi.org/10.1155/2022/1707245
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Remarks on use of the term “deep eutectic solvent” in analytical chemistry
PublicationAbout 20 years ago, Abbott and co-workers researched new solvents that were based on mixtures of choline chloride with urea and carboxylic acids and that were liquid at ambient temperature. The term “deep eutectic solvent” (DES) was later adopted for similar mixtures. As DESs have a number of interesting features, they quickly attracted the attention of researchers and found application in various branches of chemical and materials...
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Selected issues related to the toxicity of ionic liquids and deep eutectic solvents—a review
PublicationGreen Chemistry plays a more and more important role in implementing rules of sustainable development to prevent environmental pollution caused by technological processes, while simultaneously increasing the production yield. Ionic liquids (ILs) and deep eutectic solvents (DESs) constitute a very broad group of substances. Apart from many imperfections, ILs and DESs have been the most promising discoveries in the world of Green...
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Sano-Tachiya-Noolandi-Hong, Onsager and Braun models vs Monte Carlo simulation of charge photogeneration in organic solids
PublicationThe Sano-Tachiya-Noolandi-Hong (STNH), Onsager, and Braun models as well as Monte Carlo (MC) simulations of charge recombination/separation have been applied for the first time to reproduce the results of the electromodulated photoluminescence measurements in vacuum-evaporated films of fluorescent materials commonly used in optoelectronic devices. The values of the electron-hole pair final recombination speed in the monomer emitters:...
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Chemometrics approaches to green analytical chemistry procedure development
PublicationChemometric tools are widely used in analytical chemistry for the reduction of data dimensionality, grouping of variables and processing of analytical signals. They have also the potential to be applied in analytical procedure development with the aim of minimizing the procedure’s environmental impact. The design of experiment gives the possibility to obtain much better information on the system response than in case of “changing...
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Predicting the viscosity and electrical conductivity of ionic liquids on the basis of theoretically calculated ionic volumes
PublicationSelected physical properties of the ionic liquids might be quantitatively predicted based on the volumes of the ions these systems are composed of. It is demonstrated that the ionic volumes calculated using relatively simple theoretical quantum chemistry methods can be utilised to estimate the viscosities and electrical conductivities of various commonly used ionic liquids. The fitting formulas of the exponential form are offered...
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Synthesis of 5-Substituted 1H-Tetrazoles from Nitriles in the Presence of Heterogeneous Catalyst
PublicationTetrazoles are five-membered heterocyclic compounds containing in their rings four nitrogen atoms. They have wide applications as corrosion inhibitors, analytical reagents, high-energy materials and gas generating compositions. Tetrazoles also play important role in coordination chemistry as ligands and in medicinal chemistry as metabolically stable surrogates for carboxylic acids. In recent years, investigation of new method of...
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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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Water chemistry of tundra lakes in the periglacial zone of the Bellsund Fiord (Svalbard) in the summer of 2013
PublicationClimate changes observed in the Arctic (e.g. permafrost degradation, glacier retreat) may have significant influence on sensitive polar wetlands. The main objectives of this paper are defining chemical features of water within six small arctic lakes located in Bellsund (Svalbard) in the area of continuous permafrost occurrence. The unique environmental conditions of the study area offer an opportunity to observe phenomena influencing...
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Spatial variability of the hydrochemistry of shallow groundwaters and surface waters of the Rensdyrbekken: A case study of a permafrost catchment in Bellsund (SW Spitsbergen, Svalbard)
PublicationProgressive climate change may have unpredictable consequences for the Arctic environment. Permafrost catchments off the west coast of Svalbard, described as “thin” and “warm,” are particularly sensitive to climate change. The interdisciplinary research on the hydrochemical response of surface and underground water functioning within a small permafrost catchment area focused on the determination of the impact of meteorological...
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Injection of charge into the archetype organic hole transporting material TPD at the electrical contacts with ITO and Al
PublicationW pracy opisano mechanizm przewodnictwa ciemnego w układzie ITO/warstwa TPD/Al oraz Al/warstwa TPD/Al, gdzie TPD oznacza dwaminę powszechne stosowaną jako transporter dziur w organicznych diodach EL.
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Graphene Oxide as Mine of Knowledge: Using Graphene Oxide To Teach Undergraduate Students Core Chemistry and Nanotechnology Concepts
PublicationThe aim of this laboratory experiment is to utilize graphene oxide (GO) material to introduce under-graduate students to many well-known concepts of general chemistry. GO is a new nanomaterial that has generated worldwide interest and can be easily produced in every well-equipped undergraduate chemical laboratory. An in-depth examination of GO synthesis, as well as a study of its structure and properties, allows students to familiarize...
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A standard analytical method as the common good and pollution abatement measure
PublicationA standard method can be considered as a common-good “resource,” and the solution to “the commons” problems usually lies in societal self-organization. The multi-criteria decision analysis (MCDA) was applied to model complex phenomena, such as the standard selection for imidacloprid determination. In this process, the standard was self-selected by the analytical chemistry society. The results show that analytical chemistry is a...
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Measurement report: Spatial variations in ionic chemistry and water-stable isotopes in the snowpack on glaciers across Svalbard during the 2015–2016 snow accumulation season
PublicationThe Svalbard archipelago, located at the Arctic sea-ice edge between 74 and 81∘ N, is ∼60 % covered by glaciers. The region experiences rapid variations in atmospheric flow during the snow season (from late September to May) and can be affected by air advected from both lower and higher latitudes, which likely impact the chemical composition of snowfall. While long-term changes in Svalbard snow chemistry have been documented in...
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Dew Formation and Chemistry Near a Motorway in Poland
PublicationIn this study, the influence of traffic intensity on dewformation efficiency and chemistry is presented. The measurementswere conducted near the A4 motorway in SW Poland in almost flatland relief with intense agricultural activity. The dew/hoarfrost wascollected by means of insulated plain passive radiative condensersat three sites: AN and AS located in the close vicinity of themotorway (30 m) on the opposite sides of the road,...
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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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Green aspects of techniques for the determination of currently used pesticides in environmental samples
PublicationPesticides are among the most dangerous environmental pollutants because of their stability, mobility and long-term effects on living organisms. Their presence in the environment is a particular danger. It is therefore crucial to monitor pesticide residues using all available analytical methods. The analysis of environmental samples for the presence of pesticides is very difficult: the processes involved in sample preparation are...
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Solid phase microextraction: state of the art, opportunities and applications
PublicationSolid phase microextraction is one of the most popular green techniques used for sample preparations in analytical chemistry. It is a simple, rapid, sensitive, and solvent-free technique. Since SPME was first introduced in the early 1990s, there has been an intensification of research in order to elaborate new methodical solutions in many research facilities around the world, which could increase the use of this technique. More...
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Dopants and gas modifiers in ion mobility spectrometry
PublicationThe ion mobility techniques, including the most commonly used drift-tube ion mobility spectrometry (IMS) and differential mobility spectrometry (DMS), are used successfully for the detection of a wide range of organic compounds in the gas phase. In order to improve detection quality, admixtures are added to gas streams flowing through the detector. Dopants mostly prevent the ionization of interfering chemicals however, better detection...
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Pharmaceutical and forensic drug applications of chiral supercritical fluid chromatography
PublicationTHE SUPERCRITICAL FLUID IS AN EXCELLENT CHOICE AS THE CHROMATOGRAPHIC MOBILE PHASE BECAUSE IT ALLOWS RAPID SEPARATION WITH HIGH EFFICIENCY AND APPLICATIONS INVOLVING ENANTIORESOLUTION ARE COMMON. SUPERCRITICAL FLUID CHROMATOGRAPHY (SFC) IS INCREASINGLY USED FOR ANALYTICAL, SEMI-PREPARATIVE AND PREPARATIVE PURIFICATION OF CHIRAL COMPOUNDS, INCLUDING PRODUCTION OF ENANTIOMERS THAT ARE MAINLY ENCOUNTERED DURING DRUG DEVELOPMENT. SFC...
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Surfactants application in sample preparation techniques: Insights, trends, and perspectives
PublicationSince the implementation of Green Chemistry into analytical practice, significant efforts have been made to improve the sustainability of chemical analysis. These include reducing the use of hazardous chemicals and solvents, minimizing waste, and improving energy efficiency. Surfactants can be applied in chemical analysis as an environmentally friendly alternative to conventional solvents and chemicals. The use of surfactants can...
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Local properties of organic coatings close to glass transition temperature
PublicationAcrylic coating applied on copper substrate has been investigated at different temperatures starting from the ambient one up to the level above the glass transition temperature. Its local topographic and electric properties have been examined with the atomic force microscopy (AFM) based approach including dc current mapping and local impedance spectroscopy. The local findings have been compared with the information from global...
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Effect of environmental temperature variations on protective properties of organic coatings
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Effect of environmental temperature variations on protective properties of organic coatings
PublicationW oparciu o model rozwoju naprężeń oraz niszczenia kumulatywnego przedyskutowano wpływ zmiennych temperatur środowiska na mechaniczną spójność i własności ochronne systemów powłokowych. Badano wpływ cykli temperaturowych pomiędzy 20 i 55 st. C oraz między -20 i 20 st. C na trwałość różnych powłokowych systemów malarskich na stali. Stosując technikę spektroskopii impedancyjnej monitorowano zmiany parametrów powłok poddanych cyklom...
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The Influence of Microstructure on the Passive Layer Chemistry and Corrosion Resistance for Some Titanium-Based Alloys
PublicationThe effect of microstructure and chemistry on the kinetics of passive layer growth and passivity breakdown of some Ti-based alloys, namely Ti-6Al-4V, Ti-6Al-7Nb and TC21 alloys, was studied. The rate of pitting corrosion was evaluated using cyclic polarization measurements. Chronoamperometry was applied to assess the passive layer growth kinetics and breakdown. Microstructure influence on the uniform corrosion rate of these alloys...
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Problematyka dotycząca zapewnienia fotostabilności substancji leczniczych w postaciach leku
PublicationUV and visible radiation may influence on the stability of some active pharmaceutical ingredients and in a consequence destabilizes such medicinal products, causes changesin its physicochemical properties also with negative pharmacological and sometimes even toxic effects. For this reason it is important to conduct the routine testing photostability. The knowledge of chemistry and technology as well as some methods of...
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Structural and Material Determinants Influencing the Behavior of Porous Ti and Its Alloys Made by Additive Manufacturing Techniques for Biomedical Applications
PublicationOne of the biggest challenges in tissue engineering is the manufacturing of porous structures that are customized in size and shape and that mimic natural bone structure. Additive manufacturing is known as a sufficient method to produce 3D porous structures used as bone substitutes in large segmental bone defects. The literature indicates that the mechanical and biological properties of scaffolds highly depend on geometrical features...
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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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Recent advances on SOA formation in indoor air, fate and strategies for SOA characterization in indoor air - A review
PublicationRecent studies proves that indoor air chemistry differs in many aspects from atmospheric one. People send up to 90 % of their life indoors being exposed to pollutants present in gas, particle and solid phase. Particle phase indoor is composed of particles emitted from various sources, among which there is an indoor source – secondary chemical reactions leading to formation of secondary organic aerosol (SOA). Lately, researchers'...
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Green aspects of techniques for the determination of pesticides in fruits and vegetables
PublicationApplied all over the world, pesticides are some of the most dangerous pollutants of the environment because of their stability, mobility, their ability to accumulate in the environment and their consequent long-term adverse effects on living organisms in general and human health in particular. Their presence in the environment is a particular danger. It is therefore crucial to monitor pesticide residues using all available analytical...
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1,3-alternate calix[4]arene-bonded silica stationary phases. Effect of calixarene skeleton substituents on the retention mechanism and column selectivity
PublicationFour novel 1,3-alternate calix[4]arene-bonded silica gel stationary phases possessing different aromatic and aliphatic substituents at the upper rim (CalixNph, CalixBph, CalixHex and CalixDdc) were prepared and structurally characterized. The comparison and selectivity of these phases was done by using alkylbenzenes, fatty acid p-bromophenacyl esters, aromatic positional isomers and polynuclear aromatic hydrocarbons as analytes....
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Diethyl carbonate as a green extraction solvent for chlorophenol determination with dispersive liquid–liquid microextraction
PublicationThe principles of green analytical chemistry indicate that the search for greener organic solvents for extraction applications is crucial. In this study diethyl carbonate (DEC) is proved to be a green solvent, as it is relatively nontoxic, obtainable from renewable resources and biodegradable. Here it is applied as an extraction solvent for chlorophenol determination in water samples with dispersive liquid–liquid microextraction....
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The chemistry, properties and performance of flame-retardant rubber composites: Collecting, analyzing, categorizing, machine learning modeling, and visualizing
PublicationRubbers combine the flexibility with mechanical strength, supporting myriad applications, but suffer from inherent flammability. Formulation and production of flame-retardant rubber composites (FRRCs) have intensively been practiced over years, but not comprehensively reviewed. This necessity has outlined collecting, analyzing, screening, classifying, and interpreting the literature with the aim of classifying the FRRCs. We quantified...
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Phosphoroorganic Metal Complexes in Therapeutics
PublicationThe present mini-review highlights recent developments on antitumor activity of metal-based therapeutics which have been a subject of researches for the last few decades. In 1965, Rosenberg found that during an electrolysis on platinum electrodes a complex of Pt is generated which inhibited to a great extent a binary fission in Escherichia coli bacteria. This discovery started a new chapter in medicinal chemistry and the interesting...
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Ionic liquids in extraction techniques: Determination of pesticides in food and environmental samples
PublicationThe intensive use of pesticides in agricultural practices has promoted the appearance of environmentaland public health problems. Due to that, scientists face challenges with developing simple, fast, sensitive,selective, and low-cost methods dedicated to determining pesticide residues in food and environmentalsamples. Following thefifth principle of Green Analytical Chemistry, chemists are searching for greeneralternatives for...
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Analytical applications of smartphones for agricultural soil analysis
PublicationSoil is one of the most important farming resources. Appropriate managing of its quality promotes productive and sustainable agriculture. The valuable farm practice in soil quality managing is based on regular soil analysis with the aim to determine the exact amount of nutrients or other chemical, physical and biological soil properties. Soil analysis usually requires samples collection at desired sampling depth following by samples...
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Water uptake in protective organic coatings and its reflection in measured coating impedance
PublicationWater uptake in commercially available epoxy coating on mild steel using impedance spectroscopy and gravimetry was studied. The water content in the coating was determined using the Brasher-Kingsbury equation and various methods of coating capacitance calculation used in the literature. The obtained results were compared with reference gravimetric data. An overestimation of values obtained from impedance data in relation to gravimetric...
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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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Use of electrochemical methods to examine different surface preparation methods for organic coatings on steel
PublicationObróbka strumieniowo - ścierna jest jedną z powszechnie stosowanych metod przygotowania powierzchni. Wśród nowoczesnych metod coraz większe zainteresowanie wzbudza przygotowanie powierzchni wodą pod wysokim ciśnieniem (z ang. waterjetting). W porównaniu z konwencjonalnymi metodami ''waterjetting'' jest nowoczesną oraz przyjazną środowisku metodą. W literaturze brakuje informacji na temat skuteczności owej metody do zastosowań...
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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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Communication: Inside the water wheel: Intrinsic differences between hydrated tetraphenylphosphonium and tetraphenylborate ions
PublicationTetraphenylphosphonium tetraphenylborate (TPTB) is a common reference electrolyte in physical chemistry of solutions allowing for a convenient partitioning of thermodynamic properties into single-ion contributions. Here, we compute on the basis of ab initio molecular dynamics simulations the infrared (IR) spectra for hydrated constituent ions of the TPTB assumption. Using spectral decomposition techniques, we extract important...
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Extraction with environmentally friendly solvents
PublicationThe ever-increasing demand for determining compounds at low concentration levels in complex matrices requires a preliminary step of analytes isolation/enrichment in order to employ a detection technique characterized by high sensitivity at low LOQ. Sample preparation is considered as crucial part of analytical procedures. Previously the parameter of “greenness” is as important as selectivity in order to avoid using harmful organic...
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Solventless and solvent-minimized sample preparation techniques for determining currently used pesticides in water samples: A review
PublicationThe intensification of agriculture means that increasing amounts of toxic organic and inorganic compounds are entering the environment. The pesticides generally applied nowadays are regarded as some of the most dangerous contaminants of the environment. Their presence in the environment, especially in water, is hazardous because they cause human beings to become more susceptible to disease. For these reasons, it is essential to...
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Calculation of Vibrational Resonance Raman Spectra of Molecules Using Quantum Chemistry Methods
PublicationThe understanding and interpretation of experimental resonance Raman (RR) spectra can strongly benefit from theoretical simulations. These can be achieved by combining quantum chemistry (QC) methods to calculate the electronic and vibrational molecular properties, together with appropriate models and approximations to compute the Raman intensities. This chapter presents the main and most commonly employed approaches to calculate...
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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...