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Introducing the concept of sustainable development into analytical practice: green analytical chemistry
PublicationW rozdziale przedstawiono innowacyjne techniki analityczne spełniające wymogi zrównoważonego rozwoju w kontekscie praktyki analitycznej. Przedstawiono bezrozpuszczalnikowe metody przygotowania próbek oraz przykłady calych procedur analitycznych spełniajacych warunek zielonej chemii analitycznej
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Rime and hoarfrost chemistry in Poland - an introductory analysis from meteorological perspective
PublicationPróbki szronu i sadzi pobierano odpowiednio w 6 i 3 miejscach, które reprezentują zarówno nizinne jak i górzyste części Polski. Niższe stężenia jonów stwierdzono zarówno w próbkach szronu jak i sadzi pobranych na terenie nizinnym. Wynika to ze stosunkowo wysokiej inwersji temperatury i mniej intensywnego krążenia atmosferycznego w tym regionie. Stwierdzono również różne wartości stosunku Na/Cl w próbkach sadzi i szronu zebranych...
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Design of selective substrates of proteinase 3 using combinatorial chemistry methods
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A Comprehensive Review of Chemistry, Sources and Bioavailability of Omega-3 Fatty Acids
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Some remarks on gas chromatographic challenges in the context of green analytical chemistry
PublicationOmówiono możliwości wprowadzenia zasad zielonej chemii analitycznej w odniesieniu do technik chromatograficznych.
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Tendencies of change in the chemistry of precipitation at three monitoring stations 1996-1999.
PublicationW pracy przedstawiono wyniki porównawczych badań składu próbek opadów deszczowych zebranych na trzech stacjach w okresie 1996-1999, (stacje te różnią się zdecydowanie ze względu na usytuowanie geograficzne). W postaci graficznej przedstawiono zaobserwowane tendencje w składzie zebranych próbek wód opadowych.
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Badania międzylaboratoryjne w chemii analitycznej. Interlaboratory tests in analytical chemistry.
PublicationW pracy dokonano podziału dostępnych badań międzylaboratoryjnych w zależności od założonego celu badań. Przedstawiono i scharakteryzowano podstawowe typy programów badań międzylaboratoryjnych oraz aspekt ich organizacji. Omówiono również wykorzystanie badań biegłości/porównań międzylaboratoryjnych w procesach akredytacji i nadzoru laboratoriów oraz możliwy sposób obróbki danych nadesłanych przez uczestników badań.
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The 12 principles of green analytical chemistry and the SIGNIFICANCE mnemonic of green analytical practices
PublicationThe current rapid development of green analytical chemistry (GAC) requires clear, concise guidelines in the form of GAC principles that will be helpful in greening laboratory practices. The existing principles of green chemistry and green engineering need revision for their use in GAC because they do not fully meet the needs of analytical chemistry. In this article we propose a set of 12 principles consisting of known concepts...
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Green analytical chemistry introduction to chloropropanols determination at no economic and analytical performance costs?
PublicationIn this study we perform ranking of analytical procedures for 3-monochloropopane-1,2-diol determination in soy sauces with PROMETHEE method. Multicriteria decision analysis was performed for three different scenarios – metrological, economic and environmental, by application different weights to decision making criteria. All three scenarios indicate capillary electrophoresis – based procedure as the most preferable. Apart from...
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Optimization of liquid chromatographic separation of pharmaceuticals within green analytical chemistry framework
PublicationThe contribution is aimed at the development of methodology that allows to consider green analytical chemistry criteria during optimization of liquid chromatographic separation with design of experiment. The objectives of the optimization are maximization of peak areas of five non-steroid anti-inflammatory drugs, maximization of resolution between peaks, with simultaneous shortening of chromatographic separation time and minimization...
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A Green Chemistry "environmentally friendly" approach to the synthesis of chloro-intermediates of ephedrine/pseudoephedrine
PublicationMethylamphetamine is an addictive stimulant drug that strongly activates certain systems in the brain. It is closely related chemically to amphetamine, but the central nervous system effects of methamphetamine are greater. There is much interest in methylamphetamine among scientists and therefore the synthesizes of methylamphetamine and its metabolites are carried out on a large scale in chemical laboratories. Globally, ephedrine...
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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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Short-Term Observations of Rainfall Chemistry Composition in Bellsund (SW Spitsbergen, Svalbard)
PublicationGlobal warming results in increasingly widespread wildfires, mostly in Siberia, but also in North America and Europe, which are responsible for the uncontrollable emission of pollutants, also to the High Arctic region. This study examines 11 samples of rainfall collected in August in a coastal area of southern Bellsund (Svalbard, Norway). It covers detailed analysis of major ions (i.e., Cl−, NO3−, and SO42−) and elements (i.e.,...
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Retrosynthesis from transforms to predictive sustainable chemistry and nanotechnology: a brief tutorial review
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Application of multivariate statistics in assessment of green analytical chemistry parameters of analytical methodologies
PublicationThe study offers a multivariate statistical analysis of a dataset, including the major metrological, “greenness” and methodological parameters of 43 analytical methodologies applied for aldrin determination (a frequently analyzed organic compound) in water samples. The variables (parameters) chosen were as follows: metrological (LOD, recovery, RSD), describing the “greenness” (amount of the solvent used, amount of waste generated)...
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Selection of New Chromogenic Substrates of Serine Proteinases Using Combinatorial Chemistry Methods
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Application of chemometric approach in studies of dew chemistry (on the basis of samples collected in Poland)
PublicationPrzedstawiono wyniki badań wybranych związków chemicznych (aniony, kationy, formaldehyd, nadtlenek wodoru, suma fenoli, TC, TIC, TOC) oznaczonych w próbkach rosy zebranych z różnych obszarów na terenie Polski (Gdynia, Gdańsk, Sopot, Mława, Kraków). Zastosowano analizę funkcji dyskryminacyjnej aby dokonać klasyfikacji poszczególnych próbek w zależności od miejsca pobierania oraz wykryć podstawowe zależności pomiędzy poszczególnymi...
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Development of sensitive cathepsin G fluorogenic substrate using combinatorial chemistry methods
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A simple method for selection of trypsin chromogenic substrates using combinatorial chemistry approach
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Examination of fresh water chemistry in maritime Antarctica during austral summer 2017
PublicationDue to the fact that Antarctica is one of the least polluted places on Earth, it is a perfect place to observe the spread of global pollution. Therefore, research conducted on this continent is important due to the possibility of investigating the type of pollution and their way of transport. This work considers presence of organic contaminants in Maritime Antarctica in unexplored until now, Lions Rump headland. Qualitative and...
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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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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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Chemistry induced by low-energy electrons in condensed multilayers of pure small organic acids
PublicationPrzedstawiono reakcje indukowane przez niskoenergetyczne elektrony (0.7 - 20 eV) w kondensowanych warstwach kwasu mrówkowego (HCOOH), częściowo deuterowanego kwasu octowego (CH3COOD) oraz kwasu trifluorooctowego (CF3COOD).
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Elastic-contractile model proteins: Physical chemistry, protein function and drug design and delivery
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Recent developments and future trends in solid phase microextraction techniques towards green analytical chemistry
PublicationSolid phase microextraction find increasing applications in the sample preparation step before chromatographic determination of analytes in samples with a complex composition. These techniques allow for integrating several operations, such as sample collection, extraction, analyte enrichment above the detection limit of a given measuring instrument and the isolation of analytes from sample matrix. In this work the information about...
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In-Out Surface Modification of Halloysite Nanotubes (HNTs) for Excellent Cure of Epoxy: Chemistry and Kinetics Modeling
PublicationIn-out surface modification of halloysite nanotubes (HNTs) has been successfully performed by taking advantage of 8-hydroxyquinolines in the lumen of HNTs and precisely synthesized aniline oligomers (AO) of different lengths (tri- and pentamer) anchored on the external surface of the HNTs. Several analyses, including FTIR, H-NMR, TGA, UV-visible spectroscopy, and SEM, were used to establish the nature of the HNTs’ surface engineering....
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Color prediction from first principle quantum chemistry computations: a case of alizarin dissolved in methanol
PublicationThe electronic spectrum of alizarin (AZ) in methanol solution was measured and used as reference data for color prediction. The visible part of the spectrum was modelled by different DFT functionals within the TD-DFT framework. The results of a broad range of functionals applied for theoretical spectrum prediction were compared against experimental data by a direct color comparison. The tristimulus model of color expressed in terms...
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Chemistry of human breast milk – a comprehensive review of the composition and role of milk metabolites in child development
PublicationEarly nutrition has an enormous influence on a child's physiological function, immune system maturation and cognitive development. Human breast milk (HBM) is recognized as the gold standard for human infant nutrition. Accordingly to WHO report breastfeeding is consider as an unequalled way of providing ideal food to the infant, which is required for his healthy growth and development. HBM contains various macronutrients (carbohydrates,...
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Tri(mesityloxy)silanethiol - The First Structurally CharacterizedOrganoxysilanethiol (Contributions to the Chemistry of Silicon-SulfurCompounds. 77 [1])
PublicationTri(mezytyloksy)silanotiol (TMST) wyizolowano jako jedyny produkt reakcji pomiędzy disiarczkiem krzemu a 2,4,6-trimetylofenolem. TMSTkrystalizuje w układzie trójskośnym. Dobra jakość kryształów pozwoliła na udokładnienie grupy SH bez narzuconych więzów. Długość wiązania S-H określono na 1,29(4) ang., a kąt Si-S-H na 95,4(17) deg. Cząsteczki TMST nie tworzą wiązań wodorowych w kryształach.
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A Case Study on the Desired Selectivity in Solid‐State Mechano‐ and Slow‐Chemistry, Melt, and Solution Methodologies
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Study of a Flame Kernel Evolution in a Turbulent Mixing Layer Using LES with a Laminar Chemistry Model
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An investigation on the chemistry of the R2P=P ligand: reactions of a phosphanylphosphinidene complex of tungsten(VI) with electrophilic reagents
PublicationThe nucleophilic properties of the title compound [(2,6-i-Pr2C6H3N)2(Cl)W(η2-t-Bu2PvP)]Li·3DME (1) were investigated in reactions with selected electrophilic reagents such as MeI, M(CO)5THF (M = Cr, Mo, W), AlCl3, and GaCl3. Methylation of 1 by MeI yields phosphanylphosphido complexes [(2,6-i-Pr2C6H3N)2W(X)(1,2-η-t-Bu2PvP–CH3)] (X = Cl, I) (2-Cl/2-I) with the formation of a new P–C bond. Moreover, 1 reacts with electrophilic compounds...
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Analytical chemistry in technical approaches: immobilization of biosorbent waste containing heavy metals in cemented materials
PublicationAn ecologically safe and economically justified method of stabilization of the used biosorbents was developed. Sorbent contaminated with heavy metals has been successfully solidified/stabilized using a hydraulic binder. The test results indicated that up to 1% of the biosorbent residue used could be added without compromising the compressive strength of the mortar. The compressive strength of the modified mortars did not change...
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Rainwater chemistry composition in Bellsund: Sources of elements and deposition discrepancies in the coastal area (SW Spitsbergen, Svalbard)
PublicationDiscrepancies in rainfall chemistry in Bellsund were found to be influenced by the orographic barrier and related to the variability in the inflow of air masses as well as to the distance of sampling sites from the sea and thus the extent of sea spray impact. This study covers measurements of rainfall (P) and air temperature (T), physicochemical parameters (pH, specific electrolytic conductivity (SEC), major ions (Cl , NO3 , SO4...
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Reduced Graphene Oxide Joins Graphene Oxide To Teach Undergraduate Students Core Chemistry and Nanotechnology Concepts
PublicationNovel carbon nanomaterials such as reduced graphene oxide (rGO) and graphene oxide (GO) can be easily incorporated into the undergraduate curriculum to discuss basic chemistry and nanotechnology concepts. This paper describes a laboratory experiment designed to study the differences between GO and rGO regarding their physico-chemical properties (e.g. color, hydrophobicity, type of functional groups, electrical conductivity etc.)....
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Application of linear discriminant analysis to the study of dew chemistry on the basis of samples collected in Poland (2004-2005)
PublicationTechnikę analizy dyskryminacyjnej wykorzystano do klasyfikacji próbek rosy (zebranych w okresie sierpień 2004 - październik 2005 na terenie Gdyni, Gdańska, Mławy, Sopotu, Krakowa, w których oznaczono stężenia wybranych związków nieorganicznych i organicznych) na naturalnie wyłaniające się grupy oraz by zidentyfikować parametry fizykochemiczne odpowiedzialne za podobieństwa i różnice pomiędzy poszczególnymi miejscami pobierania...
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Intermolecular Interactions of Edaravone in Aqueous Solutions of Ethaline and Glyceline Inferred from Experiments and Quantum Chemistry Computations
PublicationEdaravone, acting as a cerebral protective agent, is administered to treat acute brain infarction. Its poor solubility is addressed here by means of optimizing the composition of the aqueous choline chloride (ChCl)-based eutectic solvents prepared with ethylene glycol (EG) or glycerol (GL) in the three different designed solvents compositions. The slurry method was used for spectroscopic solubility determination in temperatures...
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Design of serine proteinase inhibitors by combinatorial chemistry using trypsin inhibitor SFTI‐1 as a starting structure
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The chemistry and toxicity of discharge waters from copper mine tailing impoundment in the valley of the Apuseni Mountains in Romania
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Estimating the Impact of Inflow on the Chemistry of Two Different Caldera Type Lakes Located on the Bali Island (Indonesia)
PublicationThis paper is a preliminary attempt to assess the composition of pollutants in two different caldera lakes situated in the Indonesian Archipelago: Batur and Bratan. Both lakes are characterized by largely different physico-chemical regimes; Batur Lake is located in an area that is currently volcanically active, unlike Bratan Lake. The latter is much smaller and shallower than Batur Lake. The concentration of pollutants in the Indonesian...
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5-Selenocyanato and 5-trifluoromethanesulfonyl derivatives of 2′-deoxyuridine: synthesis, radiation and computational chemistry as well as cytotoxicity
Publication5-Selenocyanato-2′-deoxyuridine (SeCNdU) and 5-trifluoromethanesulfonyl-2′-deoxyuridine (OTfdU) have been synthesized and their structures have been confirmed with NMR and MS methods. Both compounds undergo dissociative electron attachment (DEA) when irradiated with X-rays in an aqueous solution containing a hydroxyl radical scavenger. The DEA yield of SeCNdU significantly exceeds that of 5-bromo-2′-deoxyuridine (BrdU), remaining...
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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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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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Acid-aided epoxy-amine curing reaction as reflected in epoxy/Fe3O4 nanocomposites: Chemistry, mechanism, and fracture behavior
PublicationThis work seeks to answer the question whether or not the presence of acid functional groups accelerate epoxyamine curing reaction. Epoxy/Fe3O4 nanocomposite was considered as a case, where discussions are based on chemistry, mechanism behind curing reactions and fracture behavior influenced by acid assistance to crosslinking. Fe3O4 magnetic nanoparticles (MNPs) with nanosilica decorative layer (B-MNP) were synthesized and subsequently...
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Fast, solvent-free synthesis of ferrocene-containing organic cages via dynamic covalent chemistry in the solid state
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Correction to: The chemistry and toxicity of discharge waters from copper mine tailing impoundment in the valley of the Apuseni Mountains in Romania
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Very accurate time propagation of coupled Schrödinger equations for femto- and attosecond physics and chemistry, with C++ source code
PublicationIn this article, I present a very fast and high-precision (up to 33 decimal places) C++ implementation of the semi-global time propagation algorithm for a system of coupled Schrödinger equations with a time-dependent Hamiltonian. It can be used to describe time-dependent processes in molecular systems after excitation by femto- and attosecond laser pulses. It also works with an arbitrary user supplied Hamiltonian and can be used...
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Deep eutectic solvent based method for analysis of Niclosamide in pharmaceutical and wastewater samples – A green analytical chemistry approach
PublicationThe paper presents a simple, but very effective and sensitive spectrophotometric method for trace analysis of Niclosamide based on liquid–liquid microextraction using deep eutectic solvents (DESs) prior to its quantification. Here, different DES systems, such as Choline chloride (ChCl) + Urea, ChCl + Citric acid, ChCl + Ethylene glycol and ChCl + Phenol, were synthesized and evaluated at different molar ratios, selecting ChCl + Phenol...
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Challenges of Green Chemistry in monitoring and air protection. Wyzwania Zielonej Chemii w monitoringu i ochronie powietrza.
PublicationW pracy przedstawiono podstawowe założenia Zielonej Chemii do syntezy i przerobu związków chemicznych. W szczególnośi opisano nowe podejście w opracowywaniu metod analitycznych pozwalających na ocenę stanu zanieczyszczenia środowiska - w tym i powietrza. Podkreślono rolę analityki procesowej jako narzędzia kontroli procesu chemicznego, pozwalającego na szybkie wykrycie zagrożenia zanieczyszczenia powietrza.
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Towards plant-mediated chemistry – Au nanoparticles obtained using aqueous extract of Rosa damascena and their biological activity in vitro
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