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Search results for: chemia obliczeniowa
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Enzymatic and Chemical Cross-Linking of Bacterial Cellulose/Fish Collagen Composites—A Comparative Study
PublicationThis article compares the properties of bacterial cellulose/fish collagen composites (BC/Col) after enzymatic and chemical cross-linking. In our methodology, two transglutaminases are used for enzymatic cross-linking—one recommended for the meat and the other proposed for the fish industry—and pre-oxidated BC (oxBC) is used for chemical cross-linking. The structure of the obtained composites is characterized by scanning electron...
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Green TPUs from Prepolymer Mixtures Designed by Controlling the Chemical Structure of Flexible Segments
PublicationThis study concerns green thermoplastic polyurethanes (TPU) obtained by controlling the chemical structure of flexible segments. Two types of bio-based polyether polyols—poly(trimethylene glycol)s—with average molecular weights ca. 1000 and 2700 Da were used (PO3G1000 and PO3G2700, respectively). TPUs were prepared via a two-step method. Hard segments consisted of 4,4?- diphenylmethane diisocyanates and the bio-based 1,4-butanodiol...
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Screening stability, thermochemistry, and chemical kinetics of 3-hydroxybutanoic acid as a bifunctional biodiesel additive
PublicationThe thermo-kinetic aspects of 3-hydroxybutyric acid (3-HBA) pyrolysis in the gas phase were investigated using density functional theory (DFT), specifically the M06-2X theoretical level in conjunction with the cc-pVTZ basis set. The obtained data were compared with benchmark CBS-QB3 results. The degradation mechanism was divided into 16 pathways, comprising 6 complex fissions and 10 barrierless reactions. Energy profiles were calculated...
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Uwodornienie oleju rzepakowego i sojowego na katalizatorach miedziowych.Cz. 2. Chemizm reakcji.
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Effect of chemical composition on corrosion and wear behaviour of the composite Ni-Fe-Al2O3 coatings.
PublicationPrzedstawiono wyniki badań powłoki kompozytowej otrzymanej przez osadzanie katodowe galwaniczne w roztworze zawierającym sole niklu, żelaza oraz cząstki ceramiki Al2O3 o różnej wielkości i stężeniu. Wykazano, że charakterystyka ceramiki posiada wpływ na szybkość korozji i zużycia ściernego. W szczególności, zawartość ceramiki wpływa dodatnio na odporność na zużycie ścierne, ale nieco obniża odporność na zużycie korozyjne.
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Quality of groundwater contaminated by leachates from seven Polish landfills - chemical and ecotoxicological classifications
PublicationArtykuł prezentuje rezultaty badań toksyczności ostrej i chronicznej próbek wód podziemnych pobranych spod składowisk odpadów komunalnych. Uzyskane wyniki porównano z wynikami badań parametrów fizykochemicznych. Jednocześnie dokonano klasyfikacji jakości badanych próbek w oparciu o zalecenia Komisji Helsińskiej, system oparty na wyznaczaniu parametru pT i kryteria ustanowione przez Persoone'a i współpracowników.
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Wpływ osłony wokół fundamentu na przemieszczenia przyczółka
PublicationPrzedstawiono obliczeniowo wpływ ścianki szczelnej, jako osłony fundamentu, na przemieszczenia przyczółka mostowego posadowionego bezpośrednio i na palach fundamentowych. Obliczenia wykonano w oparciu o metodę elementów skończonych dla różnych schematów obciążeń.
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Pisemna opinia biegłego z dziedziny chemii analitycznej na okoliczności szczegółowo wskazane w postanowieniu z dnia 27 lipca 2009.
PublicationEkspertyza dla Sądu Okręgowego w Toruniu - Wydział Drugi Karny, na okoliczność sfałszowania oleju napędowego.
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Pisemna opinia biegłego z dziedziny chemii analitycznej na okoliczności szczegółowo wskazane w postanowieniu z dnia 16 września 2009.
PublicationEkspertyza dla Sądu Rejonowego w Rawiczu - Wydział II Karny, na okoliczność sfałszowania benzyny.
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Ceria Based Protective Coatings for Steel Interconnects Prepared by Spray Pyrolysis
PublicationStainless steels can be used in solid oxide fuel/electrolysis stacks as interconnects. For successful long term operation they require protective coatings, that lower the corrosion rate and block chemical reactions between the interconnect and adjacent layers of the oxygen or the hydrogen electrode. One of the promising coating materials for the hydrogen side is ceria. Using standard sintering techniques, ceria sinters at around...
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Chemical composition, antioxidant and anticancer effects of the seeds and leaves and indigo (polygonum tinctorium Ait.) Plant
PublicationSeeds and leaves of indigo (Polygonum tinctorium Ait.) plant were investigated and compared with another medicinal plant named prolipid for their properties such as chemical composition, antioxidant, and anticancer effects by Fourier transform infrared, three-dimensional fluorescence spectroscopy, and electrospray ionization-MS in negative mode. It was found that polyphenols, flavonoids, and flavanols were significantly higher...
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Combined chemical-biological treatment of effluents from soil remediation processes by surfactants solutions flushing
PublicationŚcieki powstające podczas procesu remediacji gruntu zawierają surfaktanty o wysokim stężeniu oraz oleje w postaci zemulgowanej i zsolubilizowanej lub wolnej. Do oczyszczenia takich ścieków zastosowano chemiczne utlenianie, biologiczne oczyszczanie oraz zintegrowany proces chemiczno biologiczny. Efektywność procesu oceniono na podstawie redukcji ChZT oraz zmiany stężenia surfaktantu w oczyszczanych ściekach. Chemiczne utlenienie...
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Does the chemical modification of Nystatin A1 affect the drug's ability to overcome the multidrug resistance of fungi?
PublicationAlthough the contemporary medicine keeps moving forward, disseminated infections caused by fungal pathogens are an emerging challenge. The dramatic rise of fungal diseases, especially the most life-threatening systemic mycoses is associated with a permanently growing number of immunodeficient patients. Undoubted difficulties in the treatment of fungal infections are caused by lack of highly effective and selective antifungal drugs,...
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Application of chiral chromatography for enantiomeric separation of currently used pesticides from various chemical groups
PublicationChiral pesticides account for more than 25 % of currently used pesticides and this ratio is still increasing. According to the number of chiral centers in the structure, a pesticide may consist of two or multiple enantiomers or stereoisomers. Studies into the stereoselective behaviour of pesticides started in the early 1990s and most research efforts focused on understanding the environmental fate and effects of these pesticides....
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Challenges in determination of pesticides from various chemical groups in fruits and vegetables applying QuEChERS method
PublicationPesticides are a large group of compounds with different physical and chemical properties, which place some of them among the most toxic, environmentally stable, and mobile substances. Nevertheless, their number, use, and application are continuously expanding. A consequence of their use is the possible presence of residues in treated food products. To protect consumers from exposure to unacceptable levels of pesticides Maximum...
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Cold atmospheric plasma-induced chemical vapor generation in trace element analysis by spectrometric methods
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The impact of sediment, fresh and marine water on the concentration of chemical elements in water of the ice-covered lagoon
PublicationThe common use of chemical elements by man has been contributing to their extraction for centuries. As a consequence, they have been directly or indirectly introduced into the biogeochemical cycle. In the framework of many conventions, mining and processing of elements are currently subject to many restrictions. However, their large load that has already been deposited in the soil and bottom sediments can be remobilised and...
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Modelling of First- and Second-order Chemical Reactions on ARUZ – Massively-parallel FPGA-based Machine
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Synergistic effects of low-/medium-vacuum carbonization on physico-chemical properties and stability characteristics of biochars
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Biological and Physico-Chemical Characteristics of Arginine-Rich Peptide Gemini Surfactants with Lysine and Cystine Spacers
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Retro analog concept: comparative study on physico-chemical and biological properties of selected antimicrobial peptides
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<title>Novel matrix for fiber optic chemical sensors made of particle track polymer</title>
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Glycerolic Licorice Extracts as Active Cosmeceutical Ingredients: Extraction Optimization, Chemical Characterization, and Biological Activity
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Application of QSAR Analysis and Different Quantum Chemical Calculation Methods in Activity Evaluation of Selected Fluoroquinolones
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Influence of foliar fertilisation with calcium fertilisers on the firmness and chemical composition of two highbush blueberry cultivars
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Chemical and Enzymatic Changes of Different Soils during Their Acidification to Adapt Them to the Cultivation of Highbush Blueberry
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In Vitro and Ex Vivo Chemical Stability Studies of Layers on Substrates and Implants Made of Titanium Alloy
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Effects Of Chemical Mutagenic Agent In Phytoconstituents On Gardenia Jasminoids, Ellis, Through Tissue Clture Technique
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An integrated assessment of the long-term impact of municipal sewage sludge on the chemical and biological properties of soil
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Fatty Acids Composition of Mustard Oil from Two Cultivars and Physico-chemical Characteristics of the Seeds
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Physico-chemical properties and possible photocatalytic applications of titanate nanotubes synthesized via hydrothermal method
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Chemical Composition, In Vitro and In Situ Antimicrobial and Antibiofilm Activities of Syzygium aromaticum (Clove) Essential Oil
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Nowe potrójne związki w układzie RE2TGe3 (RE – ziemia rzadka, T – metal przejściowy)
PublicationCelem niniejszej pracy była synteza nowych związków międzymetalicznych z rodziny RE2TGe3, gdzie RE to metale ziem rzadkich, a T to metal przejściowy (Pd, Pt). Dokonano tego stosując metodę topienia w łuku elektrycznym. Za pomocą proszkowej dyfrakcji rentgenowskiej ustalono, że udało się otrzymać następujące materiały: Pr2Pd1.15Ge2.85, Sm2PdGe3, Tb2Pd1.25Ge2.85, Dy2Pd1.25Ge2.85, Ho2Pd1.3Ge2.7, Ce2Pt0.9Ge3.1, Pr2Pt1.15Ge2.85, Nd2PtGe3,...
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Can bottom sediments be a prospective fertilizing material? A chemical composition analysis for potential reuse in agriculture.
PublicationEvery year huge amounts of bottom sediments are extracted worldwide, which need to be dis-posed. The recycling of bottom sediments for soil fertilization is in line with the long-promoted circular economy policy and enables the use of micro and macronutrients accumulated in sedi-ments for soil fertilization. When considering potential agricultural reuse of the dredge sediments, the first necessary step should be to analyze whether...
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Effect of applied standard wood machining fluid on colour and chemical composition of the machined wood surface
PublicationAppropriate monitoring of wood machining processes is a key issue to ensure the expected quality of the processed wood, expected efficiency and minimize energy consumption of production processes. A new trend is the design of environmentally friendly machining fluids. In this paper, as a preliminary study in this field, the effect of applied standard wood machining fluid on changes in the colour and chemical composition of the...
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Experimental and Quantum Chemical Evaluation of 8-Hydroxyquinoline as a Corrosion Inhibitor for Copper in 0.1 M HCl
PublicationThe corrosion inhibition properties of 8-hydroxyquinoline (8-HQ) in 0.1 M HCl for copper have been investigated by using experimental (electrochemical impedance spectroscopy (EIS), dynamic electrochemical impedance spectroscopy (DEIS), and potentiodynamic polarization) and theoretical methods complemented by surface morphological examination with the aid of scanning electron microscopy (SEM) and electron dispersive X-ray spectroscopy...
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Release of selected chemical elements from shale drill cuttings to aqueous solutions of different pH
PublicationThe effect of pH changes on leachability of light and heavy metals from shale drill cuttings generated from unconventional shale gas production was investigated. Cuttings, being the primary byproduct generated from drilling operations, belong to the potentially hazardous type of wastes due to presence of heavy and radioactive elements and remains of drilling fluid. In this regard, assessment of potentially dangerous components...
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Theoretical calculation of the physico-chemical properties of 1-butyl-4-methylpyridinium based ionic liquids
PublicationACCEPTED MAIonic liquids (ILs) have attracted much attention for their unique physicochemical properties, which can be designed as needed by altering the ion combinations. Besides experimental work, numerous computational studies have been concerned with prediction of physical properties of ILs. The results of molecular dynamics simulations of ILs depend strongly on the proper force field parameterization. Classical force fields...
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Flood risk assessment for office and services building Alchemia II at Al. Grunwaldzka 409 in Gdansk.
PublicationThe aim of the study is to assess the risk of flood from natural meteorological and hy-drological phenomena, for office and services building Alchemia II in Gdansk at Al. Grun-waldzka 409. The project includes the analysis of potential sources of floods in Gdansk re-garding the Baltic Sea and the Gulf of Gdansk, the Vistula River basin and excessive rainfall and snowmelt waters being a significant element of hydrological processes...
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The Specific Nature of Chemical Composition of Water from Volcanic Lakes Based on Bali Case Study
PublicationThe research area was localized in the Indonesian Archipelago, at the latitude of eight and nine degrees S on the one of the Lesser Sunda group island provinces, Bali (563,3 km2). Two massive calderas (Mount Batur 1717 m above sea level.; Mount Sangiyang 2093 m above sea level) are one of the most prominent landforms in the chain of volcanic mountain ranges of the Bali Island. Lake Batur (17,18 km2) and Batur Spring (which are...
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Chemical composition of lipids isolated from selected organs and tissues of the raccoon dog (Nyctereutes procyonoides)
PublicationOur paper presents a qualitative analysis of particular lipid classes (phospholipids, triacylglycerols, cholesterol, free fatty acids) isolated from the tissues of raccoon dogs harvested in northeastern Poland. In all examined tissues (except for the liver) the dominant group of lipids were triacylglycerols. The amounts of lipids representing the other classes depended on the kind of tissue from which the fat was isolated. The...
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Effect of Impoundment on Physico-chemical Properties of Water in the Flowing through stream, the Case of the Turawa Reservoir
PublicationThe Turawa reservoir is one of the most important storage reservoirs in Poland. Quite many physico-chemical parameters of water in the reservoir itself and also in the Mała Panew, the river flowing through the reservoir were measured at various periods of the year. Measuring and sampling points were situated at the river inflow, over the reservoir, and at the river outflow. The parameters included temperature, electrical conductivity,...
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The Influence of the Chemical Composition of Selected Waste Materials from the Production of Copper on the Final Environmental Assessment
PublicationThis article presents qualitative and quantitative analysis of the waste produced by KGHM Polska Miedź. The waste has been analyzed according to its chemical composition and balanced in order to be reused and recycled. Special attention has been paid to mining industries producing the biggest amount of waste and ore enrichment businesses generating waste, which isn’t reused nowadays. Laboratory reseach has been conducted on floatation...
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Green thermoplastic poly(ether-urethane)s – synthesis, chemical structure and selected properties investigation
PublicationThis work aimed to characterize the effect of the monomers chemical structure on the selected properties of the green thermoplastic poly(ether-urethane)s. During synthesis two types of polyether biopolyols, 4,4′-diphenylmethane diisocyanate and bio-based 1,3-propanediol were employed. Materials were synthesized with the use of two step method and two different prepolymers, which were mixed together in equimolar quantities. Obtained...
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Characterization of home-made and regional fruit wines by evaluation of correlation between selected chemical parameters
PublicationSince the last decade of the 20th century, there has been rising interest in the production of fruit wines, as evidenced by the high number of published papers and books covering this matter. When aiming to produce quality fruit wines, it is essential to evaluate the analytical parameters of the beverage. In this context, there are a large number of analyses for the evaluation of wines and fruit wines. This article characterizes...
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The influence of different glycerine purities on chemical recycling process of polyurethane waste and resulting semi‐products
PublicationChemical recycling is the most favourable recycling method due to the possibility of polyol recovery. This work is dedicatedto the utilisation of crude glycerine and polyurethane waste. It aims at determining the impact of the use of glycerine fromthe production of biodiesel with various degrees of purity as a cleavage agent on the decomposition process of polyurethanefoam. The influence of glycerine purit y on the chemical structure...
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Electrochemical degradation of textile dyes in a flow reactor: effect of operating conditions and dyes chemical structure
PublicationIn this study, electrochemical oxidation of five azo dyestuffs (Yellow D-5GN, Red D-B8, Ruby F-2B, Blue D-5RN, Black DN), that are widely used in the textile industry, was investigated in a flow reactor. BDD electrode with a high boron doping level (C/B = 10 000) was prepared and used. Two configurations of reactor were considered, i.e., one with the undivided cell, and the other with the cell divided by anodic and cathodic compartments....
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The Chemical and Biological Properties of Nanohydroxyapatite Coatings with Antibacterial Nanometals, Obtained in the Electrophoretic Process on the Ti13Zr13Nb Alloy
PublicationThe risk of an early inflammation after implantation surgery of titanium implants has caused the development of different antimicrobial measures. The present research is aimed at characterizing the effects of nanosilver and nanocopper dispersed in the nanohydroxyapatite coatings, deposited on the Ti13Zr13Nb alloy, and on the chemical and biological properties of the coatings.The one-stage deposition process was performed by the...
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Chemical structure, thermal and mechanical characterization of bio-based polyurethane composites filled with microcrystalline cellulose
PublicationOver the past several decades, the interest in replacing the synthetic components used in the production of polymers and composites with their natural counteparts has been growing. Biocomposites belong to the group of materials produced with the use of renewable raw materials. There has been a recent surge of interest in the industrial applications of composites containing natural fibres reinforced with biopolymers. Biopolymers...
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Substituent effects on ^15N NMR chemical shifts in selected N-alkylthiohydroxamic acids. A comparative study
PublicationNa podstawie widm 15N NMR przeanalizowano wpływy podstawników wybranych kwasów tiohydroksamowych na przesunięcia chemiczne N-15. Analiza porównawcza z przesunięciami chemicznymi strukturalnie podobnych amidów, tioamidów i kwasów hydroksamowych pozwoliła na stwierdzenie, że nie zatłoczenie steryczne a grupa N-OH jest odpowiedzialna za osłabienie efektów odsłaniających zarówno podstawników bezpośrednio związanych z atomem azotu jak...