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Search results for: physical organic chemistry
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Activating Public Space: How to Promote Physical Activity in Urban Environment
PublicationPhysical activity is an essential component of a healthy lifestyle. The quality and equipment of urban public space plays an important role in promoting physical activity among people (residents, tourists). In order for recreation and sports activities to be undertaken willingly, in a safe and comprehensive manner, certain spatial conditions and requirements must be met. The distinctive feature of contemporary large cities is the...
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Elastic scattering of electrons from chloroform
PublicationWe present experimental and theoretical cross sections for elastic electron scattering from CHCl3. This is an important target because of its relevance to environmental chemistry and the plasma etching industry as a source of chlorine radicals. The experimental results were obtained at incident electron energies ranging from 0.5 to 800 eV in the 10deg-130deg scattering angle range. Theoretically, the scattering cross sections in...
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Chemistry Innovations and Ideas from the Classroom to the Real World: The Students’ Perspective on Becoming a Chemistry Entrepreneur
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On structural physical approximations and entanglement breaking maps
PublicationVery recently, a conjecture saying that the so-called structural physical approximations (SPAs) to optimal positive maps (optimal entanglement witnesses) give entanglement breaking (EB) maps (separable states) has been posed (Korbicz et al 2008 Phys. Rev. A 78 062105). The main purpose of this contribution is to explore this subject. First, we extend the set of entanglement witnesses supporting the conjecture. Then, we ask whether...
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Cyclic Peptidic Furin Inhibitors Developed by Combinatorial Chemistry
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Polyurethanes
PublicationHandbook of Thermoset Plastics, Fourth Edition provides complete coverage of the chemical processes, manufacturing techniques and design properties of each polymer, along with its applications. This new edition has been expanded to include the latest developments in the field, with new chapters on radiation curing, biological adhesives, vitrimers, and 3D printing. This detailed handbook considers the practical implications of using...
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Synthesis, Structure and Properties of Poly(ester-Urethane-Urea)s Synthesized Using Biobased Diamine
PublicationModern polymer science and technology is focused on the development of partial or fully green polymers. This focus is related to green chemistry trends, which propose using natural and renewable resources as monomers in the synthesis of polymers. In this study, biobased diamine was used as a chain extender of ester-urethane prepolymer. Obtained poly(ester-urethane-urea) contains 16 wt% of biobased diamine. There is mention of an...
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A large family of filled skutterudites stabilized by electron count
PublicationThe Zintl concept is important in solid-state chemistry to explain how some compounds that combine electropositive and main group elements can be stable at formulas that at their simplest level do not make any sense. The electronegative elements in such compounds form a polyatomic electron-accepting molecule inside the solid, a ‘polyanion’, that fills its available energy states with electrons from the electropositive elements...
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Indoor air quality in public utility environments-a review
PublicationIndoor air quality has been the object of interest for scientists and specialists from the fields of science such as chemistry, medicine and ventilation system design. This results from a considerable number of potential factors, which may influence the quality of the broadly understood indoor air in a negative way. Poor quality of indoor air in various types of public utility buildings may significantly affect an increase in the...
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Searching for Solvents with an Increased Carbon Dioxide Solubility Using Multivariate Statistics
PublicationIonic liquids (ILs) are used in various fields of chemistry. One of them is CO2 capture, a process that is quite well described. The solubility of CO2 in ILs can be used as a model to investigate gas absorption processes. The aim is to find the relationships between the solubility of CO2 and other variables—physicochemical properties and parameters related to greenness. In this study, 12 variables are used to describe a dataset...
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Preparation and characterisation of iron substituted Mn1.7Cu1.3-xFexO4 spinel oxides (x = 0, 0.1, 0.3, 0.5)
PublicationSpinel oxides with the general formula Mn1.7Cu1.3-xFexO4 (x= 0, 0.1, 0.3, 0.5) were prepared and evaluated in this work for their properties at high temperatures. The effect of partially substituting Cu by Fe has not been studied so far for this group of materials and is thus evaluated in this work. Mn1.7Cu1.3-xFexO4 powders were synthesised by a soft chemistry process and studied in terms of crystallographic phase analysis, electrical...
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Liquid–phase microextraction: A review of reviews
PublicationSample preparation is an important step in chemical analysis. It is generally done to deal with problems associated with the nature of the matrix, low analyte concentrations in real samples or analyte features incompatible with the instrumentation. Classical methods of extraction consume large volumes of hazardous solvents and other reagents and are not in line with the recent emergence of green analytical chemistry. Liquid-phase...
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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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Vibrational Quenching of Optically Pumped Carbon Dimer Anions
PublicationCareful control of quantum states is a gateway to research in many areas of science such as quantum information, quantum-controlled chemistry, and astrophysical processes. Precise optical control of molecular ions remains a challenge due to the scarcity of suitable level schemes, and direct laser cooling has not yet been achieved for either positive or negative molecular ions. Using a cryogenic wire trap, we show how the internal...
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Optical photoluminescent, and electroluminescent properties of organic solids
PublicationThis chapter discusses optical, photoluminescence and electroluminescence properties of organic materials. First, the spectral features of individual molecules and molecular solid states are analysed. Next, the excitonic processes in organic materials are discussed. The chapter reviews experimental methods leading to the determination of basic excitonic parameters. Finally, the electroluminescence phenomena in organic materials...
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Electronic structure and physical properties of EuAuAs single crystal
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Synthesis and physical properties of the 10.6 K ferromagnet NdIr3
PublicationThe magnetic, transport, and thermodynamic properties of NdIr3 are reported. Its PuNi3-type crystal structure (space group R−3m), with lattice parameters a= 5.3262(1)Å and c=26.2218(3)Å, was confirmed by powder x-ray diffraction. Our measurements indicate that NdIr3 exhibits a previously unreported paramagnetic to ferromagnetic phase transition below TC=10.6 K(determined by using the Arrott plot). The magnetic susceptibility obeys...
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Influence of dipoles on the recombination in organic photovoltaic devices
PublicationAlthough organic compounds are promising materials to use them in photovoltaic devices, the efficiencies of organic solar cells are still lower in comparison to inorganic photocells. The recombination of charge carriers leads to the loss of photocurrent, therefore a detailed theoretical description of this process is required. In the present work, an influence of interface dipoles on the recombination process is discussed. We show...
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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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Synthesis and structural characterization of bio-based bis(cyclic carbonate)s for the preparation of non-isocyanate polyurethanes
PublicationBio-based cyclic carbonates are of significant research interest as monomers for non-isocyanate polyurethane (NIPU) synthesis. This research describes the synthesis of a series of five-membered bis(cyclic carbonate)s using bio-based polyether polyols (PO3G) with different molecular weights (250, 650 and 1000 g mol−1) and carbon dioxide as green feedstocks. The utilization of CO2 as a source of carbon in the chemical reaction is...
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Visual content representation and retrieval for Cognitive Cyber Physical Systems
PublicationCognitive Cyber Physical Systems have gained significant attention from academia and industry during the past few decade. One of the main reasons behind this interest is the potential of such technologies to revolutionize human life since they intend to work robustly under complex visual scenes, which environmental conditions may vary, adapting to a comprehensive range of unforeseen changes, and exhibiting prospective behavior...
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Organic and conventional kiwifruit, myths versus reality: antioxidant, antiproliferative and helth effects
PublicationComparison between organic and conventional kiwifruit cultivars 'Hayward' and 'Bidan', which was done by four radical scavenging assays, ESI-MS, and DSC measurements, showed significant differences between the cultivars. Such results were not estimated in kiwifruit growing under organic and conventional conditions. The extraction of bioactive compounds was done by two different methods: sequential extraction with ethyl acetate...
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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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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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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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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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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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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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Effect of some organic solvent - water mixtures composion on precipitated calcium carbonate in carbonation process
PublicationPrecipitated calcium carbonate particles were obtained during carbonation of calcium hydroxide slurry with carbon dioxide. Aqueous solutions of isopropyl alcohol, n-butanol and glycerol were used as solvents. Concentration of organic additives in the reactive mixture was from 0 to 20 % (vol.). Precipitation process were performed in a stirred tank reactor equipped with gas distributor. Multimodal courses of particles size distribution...
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New insights into the application of MSPD in various fields of analytical chemistry
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Synthetic strategies in construction of organic low molecular-weight carrier-drug conjugates
PublicationInefficient transportation of polar metabolic inhibitors through cell membranes of eukaryotic and prokaryotic cells precludes their direct use as drug candidates in chemotherapy. One of the possible solutions to this problem is application of the ‘Trojan horse’ strategy, i.e. conjugation of an active substance with a molecular carrier of organic or inorganic nature, facilitating membrane penetration. In this work, the synthetic...
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S09-4 The development of the Physical Activity Environment Policy Index (PA-EPI): a tool for monitoring and benchmarking government policies and actions to improve physical activity
PublicationBackground Insufficient physical activity (PA) is a global issue for health. A multifaceted response, including government action, is essential to improve population levels of PA. The purpose of this study was to develop the ‘Physical Activity Environment Policy Index’ (PA-EPI) monitoring framework to assess government policies and actions for creating a healthy PA environment. Methods An iterative process was undertaken. This...
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Organic and conventional kiwifruit myths versus reality: antioxidant, antiproliferative and health effects
PublicationComparison between organic and conventional kiwifruit cultivars ''Hayward'' and ''Bidan'', which was done by four redical scavenging assays, ESI-MS, and DSC measurements, showed significant differences between cultivars. Such results were not estimated in kiwifruit growing under organic and conventional conditions. The extraction of bioactive compounds was done by two different methods: sequential extraction with ethyl acetate...
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A total scoring system and software for complex modified GAPI (ComplexMoGAPI) application in the assessment of method greenness
PublicationEvaluating analytical methods with innovative metrics is essential to ensure the effectiveness of analytical procedures. Various approaches have been proposed to assess the performance of an analytical method and its environmental consequences, as sustainable environment and green chemistry ideology are of high importance nowadays. Considering greenness evaluation of developed analytical procedures, Green Analytical Procedure Index...
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Exploring synergistic effects in physical-chemical activation of Acorus calamus for water treatment solutions
PublicationThe research proposed a novel method of obtaining sorption material from readily available Acorus calamus bio- mass through a combination of physical and chemical activation processes. The material with the highest specific surface area (1652 m2 g−1) was obtained by physical activation with CO2, followed by chemical activation with KOH. Reversing the order of activation methods resulted in a lower specific surface area (1014 m2...
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Application of Passive Samplers in Monitoring of Organic Constituents of Air
PublicationThe principles of passive dosimetry, which has been known for over 100 years, are finding an ever increasing use in analytical practice and are being used as a convenient technique for isolation and enrichment of analytes from various environmental media. Due to its simplicity, a variety of designs, as well as the possibility of using a number of different final determination techniques, passive dosimetry has been applied in...
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A Hyperdense Semantic Domain for Discontinuous Behavior in Physical System Models
PublicationMultiple time models have been proposed for the formalization of hybrid dynamic system behavior. The superdense notion of time is a well-known time model for describing event-based systems where several events can occur simultaneously. Hyperreals provide a domain for defining the semantics of hybrid models that is elegantly aligned with first principles in physics. This paper discusses the value of both time models and shows how...
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Challenges and recent advances in bio-based isocyanate production.
PublicationPolyurethanes (PUs) are key players in the plastics industry. According to the Global Polyurethane Market (2019–2023), their value in the global market reached $95.13 billion in 2019 and is expected to grow at a compound annual growth rate of 12%. This is in line with the increase in the number of research papers and patents on the synthesis and application of petroleum-based PUs (P-PUs) and biomass or green PUs (G-PUs) (from 67 657...
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Physical properties of the uranium ternary compoundsU3Bi4M3(M=Ni,Rh)
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Green sample preparation techniques for chromatographic determination of small organic compounds
PublicationAccurate monitoring of the state of the environment requires the introduction of additional isolation and/or preconcentration step prior to the chromatographic determination. In this work the information about novel methodological and instrumental solutions in relation to different variants of microextraction techniques are presented. Attention is focused on analytical procedure and suitable analytical tools for extraction of the...
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Comment on "On accurate capacitance characterization of organic photovoltaic cells"
PublicationIn the 100th volume of Applied Physics Letters Carr and Chaudhary have presented a work on capacitance characterization of organic photovoltaic cells. The work concerns small signal measurements of various organic photovoltaic structures. The authors however limit their considerations to one part of small signal response, namely to capacitance measured either in parallel mode or in series mode. This attitude generally does not...
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Rigid polyurethane foams with different flame retardants and their physical and mechanical properties
PublicationRigid polyurethane foams (PUFs) containing 3, 6 or 9 % of one of of two selected fire retardants (FR): oligomeric ethyl ethylene phosphate (Fyrol PNX) and expandable graphite (EG) were prepared, inspected and compared to foam without that fillers as the control. The thermal stability of PUFs was described by horizontal test according to norm: UL 94 HB. Compressive strength and physical properties (density, fragility and water absorption)...
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Structural and physical characterization of NpPt2In7
PublicationA new neptunium intermetallic compound, NpPt2In7, has been synthesized in polycrystalline form and characterized by several macroscopic techniques. A Rietveld analysis of its powder x-ray diffraction pattern shows that NpPt2In7 crystallizes in a tetragonal lattice with I4/mmm symmetry and lattice parameters a = 4.58471(3) Å, c = 21.5065(3) Å. Magnetic susceptibility, electrical resistivity, Hall effect, and heat capacity measurements indicate...
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Menstrual Cycle and Physical Effort
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Crystal structure and physical properties of a novel ternary compound La15MoxGe9
PublicationWe present the synthesis, structural characterization and physical properties measurements of a new compound, La15MoxGe9 in Mn5Si3-type derived structure with interstitial Mo. The sample was synthesized by arc-melting method. La15MoxGe9 crystallizes in non-centrosymmetric hexagonal structure P63mc (#186) with lattice parameters a = b = 15.495(5) Å and c = 6.917(2) Å. The refinement on single X-ray diffraction data show that interstitial...
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The added value of using the HEPA PAT for physical activity policy monitoring: a four-country comparison
PublicationBackground Public policy is increasingly recognized as an important component of physical activity promotion. This paper reports on the current status of physical activity policy development and implementation in four European countries based on the Health-Enhancing Physical Activity Policy Audit Tool (HEPA PAT) developed by WHO. It compares the findings to previous studies and discusses the general utility of this tool and its...
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Physical and Thermophysical Properties of 1-Hexyl-1,4-diaza[2.2.2]bicyclooctanium Bis(trifluoromethylsulfonyl)imide Ionic Liquid
PublicationOwing to their unique properties, ionic liquids (ILs) have become a real alternative to organic compounds. Nowadays, ILs are commonly used in a number of areas such as chemical synthesis and separation techniques. However, ionic liquids continue to have a limited applicability in industry because the information on their physical and chemical properties is not readily available. This paper presents, for the first time, the results...
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Physical crosslinking of hyaluronic acid in the presence of phospholipids in an aqueous nano-environment
PublicationHyaluronic acid and phospholipids are two components in the synovial joint cavity that contribute to joint lubrication synergistically. Molecular dynamics simulations were performed and hydrogen bonds in hyaluronic acid were analyzed to identify specific sites that are responsible for its physical cross-linking. Two molecular masses of hyaluronic acid, 10 kDa and 160 kDa, were considered. We use molecular dynamics simulations and...
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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.