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Search results for: MUSSEL-INSPIRED CHEMISTRY
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Brain-Inspired Deep Networks for Facial Expression Recognition. Frontiers in Biomedical Technologies
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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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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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Teaching of Analytical Chemistry in Polisch Universities
PublicationChemia Analityczna zajmuje się poszukiwaniem i opracowywaniem optymalnych strategii (metod i urządzeń) pozwalających na uzyskiwanie miarodajnych informacji dotyczących chemicznej natury różnych obiektów znajdujących się w naszym otoczeniu i przebiegających w nich procesach. Wykorzystanie informacji analitycznej jest bardzo szerokie. Otrzymany wynik jest towarem, tym droższym im jest bardziej miarodajny. Chemik analityk odpowiada...
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Green Chemistry - current and future issues
PublicationW pracy przedstawiono 12 zasad Zielonej Chemii oraz wybrane przykłady stosowania zasad w życiu codziennym, przemyśle, laboratoriach i edukacji. Pokrótce opisano historię Zielonej Chemii oraz przyszłe wyzwania. ZCH dotyczy nowego podejścia do zagadnienia syntezy, przeróbki i wykorzystania związków chemicznych, związanego ze zmniejszeniem zagrożenia dla zdrowia i środowiska. Istnieje wiele publikacji opisujących metodyki analityczne...
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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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Magnetic Covalent Organic Frameworks—Fundamentals and Applications in Analytical Chemistry
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New insights into the application of MSPD in various fields of analytical chemistry
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Understanding the early-stage release of volatile organic compounds from rapeseed oil during deep-frying of tubers by targeted and omics-inspired approaches using PTR-MS and gas chromatography
PublicationDuring deep-frying, a plethora of volatile products is emitted with the fumes. These compounds could act as oil quality indicators and change the indoor air composition leading to health risks for occupants. The presented experiments focus on deep-frying of different tubers in rapeseed oil at different frying temperatures. Here, two scenarios for real-time monitoring of volatile organic compounds (VOCs) using proton transfer reaction...
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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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From Individual to Collective: Intelligence Amplification with Bio-Inspired Decisional DNA and its Extensions
PublicationIn nature, deoxyribonucleic acid (DNA) contains the genetic instructions used in the development and functioning of all known living organisms. The idea behind our vision is to develop an artificial system, an architecture that would support discovering, adding, storing, improving and sharing information and knowledge among agents and organizations through experience. We propose a novel Knowledge Representation (KR) approach in...
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Hoarfrost and rime chemistry in Poland - An introductory analysis from metrological perspective
PublicationW publikacji przedstawiono wyniki badań poziomów stężeń składników śladowych obecnych w próbkach osadów atmosferycznych (szronu i sadzi) zebranych na terenach wyraźnie różniących się pod względem położenia geograficznego jak również poziomem antropopresji. Zbadano wpływ czynników meteorologicznych tj. rodzaj mas powietrza, typ pola barycznego na chemizm tych form mokrej depozycji. Porównano skład chemiczny różnych form osadów atmosferycznych...
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The Chemistry of Mycophenolic Acid-Synthesis and Modifictions Towards Desired Biological Activity
PublicationDokonano przeglądu literatury chemicznej na temat metod syntezy kwasu mykofenolowego oraz jego pochodnych, a także zależności pomiędzy ich strukturą i aktywnością biologiczną.
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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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The chemistry of river–lake systems in the context of permafrost occurrence (Mongolia, Valley of the Lakes). Part I. Analysis of ion and trace metal concentrations
PublicationThis study provides a description of water chemistry in river–lake systems located in central Mongolia, at the borderline of permafrost occurrence. The analysis involved water samples collected from two river–lake systems: Baydrag River–Böön Tsagaan Lake system, and Shargalyuut/Tuyn Rivers–Orog Lake system. In the water samples, ions and trace elements were detected and quantified. Additionally, the parameters of pH, electrical...
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Metal–Organic Frameworks in Green Analytical Chemistry
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Dew chemistry near a motorway in SW Poland
PublicationW artykule wykazano wpływ bliskości autostrady na wydajność tworzenia się rosy i jej skład chemiczny. Badania przeprowadzono w pobliżu autostrady A4 w Polsce SW. Obszar badań miał charakter lekko pofalowanej równiny intensywnie użytkowanej rolniczo. Do kolekcji osadów wykorzystano płaskie, pasywne kolektory radiacyjne. Dwa z nich (AN i AS) zlokalizowane były w bezpośrednim sąsiedztwie drogi (30 m) po obu jej stronach, natomiast...
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Hepatoprotective effect of quercetin: From chemistry to medicine
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COLOUR TERMS IN INORGANIC CHEMISTRY: A CORPUS STUDY
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3-MCPD: A worldwide problem of food chemistry
Publication3-MCPD is a heat-induced food contaminant which has been widely investigated for decades. This paper presents an overview of current knowledge about 3-MCPD including its formation routes, occurrence in various foodstuffs, analytical approach, toxicological aspects and future research perspectives. So far 3-MCPD was determined in its free and bound form in thermally-treated foods, edible oils and fats, and infant foods including...
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Green Analytical Chemistry Approaches in Sample Preparation
PublicationThis chapter presents environmentally friendly solutions for sample preparation. Attention is focused on extraction techniques and the minimization of organic solvent consumption, as the large quantitiesused in analytical laboratories are a pressing environmental problem. Solventless sample preparation techniques, alternative solvents, mediated extractions are discussed. The principle of each technique isbriefly described, together...
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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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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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Green analytical chemistry in sample preparation for determination of trace organic pollutants
PublicationW pracy przedstawiono przyjazne środowisku techniki analityczne, stosowane w celu izolacji i wzbogacania analitów. Ilość używanych rozpuszczalników jest ograniczana przez stosowanie alternatwnych rozpuszczalników, technik bezrozpuszczalnikowych, ekstrakcji wspomaganych czynnikami zewnętrznymi oraz przez wprowadzanie mikrosystemów analitycznych.
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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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Inspired by Nature: The Use of Plant-derived Substrate/Enzyme Combinations to Generate Antimicrobial Activity in situ
PublicationThe last decade has witnessed a renewed interest in antimicrobial agents. Plants have received particular attention and frequently rely on the spontaneous enzymatic conversion of an inactive precursor to an active agent. Such two-component substrate/enzyme defence systems can be reconstituted ex vivo. Here, the alliin/alliinase system from garlic seems to be rather effective against Saccharomyces cerevisiae, whilst the glucosinolate/myrosinase...
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W-dominance: Tradeoff-inspired dominance relation for preference-based evolutionary multi-objective optimization
PublicationThe paper presents a method of incorporating decision maker preferences into multi-objective meta-heuristics. It is based on tradeoffcoefficients and extends their applicability from bi-objective to multi-objective. The method assumes that a decision maker specifies a priori each objective’s importance as a weight interval. Based on this, w-dominance relation is introduced, which extends Pareto dominance. By replacing reference...
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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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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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Selection of Effective HTRA3 Activators Using Combinatorial Chemistry
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Surface chemistry aspects of fluorosurfactants as components in AFFF preparation
PublicationZbadano właściwości powierzchniowe fluorowanych surfaktantów anionowych a także roztworów środków pianotwórczych na bazie fluorowanych surfaktantów stosowanych w gaszeniu pożarów substancji ropopochodnych ze szczególnym uwzględnieniem ich zdolności do obniżania napięć międzyfazowych. Wyselekcjonowana para surfaktantów wykazała się wysoką zdolnością obniżania napięć międzyfazowych na granicy faz olej-woda, porównywalną z roztworami...
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Selection of New Chromogenic Substrates of Serine Proteinases Using Combinatorial Chemistry Methods
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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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Bio-inspired Urban Design: Smart Growth and Sustainable Development Frameworks for a New Urban Unit in Cracow
PublicationIn March 2012, architects João Diniz (Brazil) and Dorota Wiśniewska (Poland) answered a call to competition from the City of Cracow, submitting an entry for the redesign of 5600 ha of the Nowa Huta district in eastern Cracow, focusing on economic revitalization within a framework of smart growth and sustainable development. The scenario included an ArcerolMittal Steelworks and incorporated a strong ecological analysis for the easternmost...
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Renal denervation in treatment-resistant hypertension – Oslo RDN, Symplicity HTN-3 and INSPiRED randomized trials
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The chemistry of river–lake systems in the context of permafrost occurrence (Mongolia, Valley of the Lakes) Part II. Spatial trends and possible sources of organic composition
PublicationThe chemistry of river–lake systems located in Central Mongolia near the southern border of permafrost occurrence has not been well studied. The main aim of this paper is to summarize patterns in water chemistry in supply springs, rivers and lakes in relation to permafrost occurrence, as well as other natural and anthropogenic impacts. The analyses involved water samples taken from two river–lake systems: the Baydrag River–Böön...
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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 non-precipitation components of wet deposition with Poland as an example
PublicationW pracy przedstawiono badania dotyczące chemizmu osadów atmosferycznych pobieranych na terenie Polski w okresie od 2004 do 2007 roku. Średni skład jonowy (TIC) dla rosy, szronu i mgły (w stanie ciekłym i stałym) wynosił odpowiednio 2147, 1929 i 1014 µeq/l, gdzie typowy skład jonowy TIC dla opadów atmosferycznych wynosi 318 µeq/l. Dla wszystkich typów osadów atmosferycznych różne jony pełnią ważną rolę: Ca2+ i SO42-...
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Green Analytical Chemistry in Determination of Volatile Fatty Acids in Wastewater
PublicationCharakterystyka metodyk oznaczania lotnych kwasów tłuszczowych w próbkach wodnych, opierających się na Zasadach Zielonej Chemii. Opis zastosowania techniki bezpośredniego dozowania próbki wodnej do chromatografu gazowego, techniki analizy fazy nadpowierzchniowej oraz techniki mikroestrakcji do fazy stacjonarnej.
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Environmental Role of Rime Chemistry at Selected Mountain Sites in Poland
PublicationThe results of field experiments on fog pollutantdeposition enhanced by local mountain climate, completed by thedendrochronological analysis of the forest response, are presentedin this paper. In spite of their low absolute altitude (1,000-1,600 ma.s.l), the Sudetes and the Silesian Beskid form a noticeable orographicbarrier for the airflow of the humid Atlantic air masses.This results in the increase of cloudiness and fog frequency...
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Dew and hoarfrost frequency, formation efficiency and chemistry in Wroclaw, Poland
PublicationThis article presents the results of a research study concerning a comparison of frequency, formation efficiency and basic physico-chemical properties of dew and hoarfrost in urban conditions. Longer than two-year series of measurements was carried out from 1 February 2008 to 10 March 2010 in Wroclaw, Poland. Sampling of atmospheric deposits was made by means of insulated plain passive radiative condensers, which allowed to collect...
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Impact of a newly-formed periglacial environment and other factors on fresh water chemistry at the western shore of Admiralty Bay in the summer of 2016 (King George Island, Maritime Antarctica)
PublicationThis study provides a comprehensive analysis of the inorganic chemistry of flowing water at the western shore of Admiralty Bay. In the water samples, ions, and major and trace metals (and B)were detected and quantified. Additionally, the parameters of pH, specific electrolytic conductivity (SEC25) and total organic carbon (TOC) were determined. Moreover, multivariate data set was created and Principal Component Analysis (PCA) was...
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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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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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Design of selective substrates of proteinase 3 using combinatorial chemistry methods
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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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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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A Comprehensive Review of Chemistry, Sources and Bioavailability of Omega-3 Fatty Acids
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