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Wyniki wyszukiwania dla: computational chemical physics
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Physical, chemical and biochemical properties of Western Siberia Sphagnum and Carex peat soils
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Chemometric exploration of sea water chemical component data sets with missing elements
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Morphologic, Phylogenetic and Chemical Characterization of a Brackish Colonial Picocyanobacterium (Coelosphaeriaceae) with Bioactive Properties
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Phthalocyanines with bulky substituents at non-peripheral positions – Synthesis and physico-chemical properties
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Chemical modification of tannins from Acacia mearnsii to produce formaldehyde free flocculant
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A Comprehensive Review on Shilajit: What We Know about Its Chemical Composition
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Preparation and characterization of silk fibroin/collagen sponge modified by chemical cross-linking
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INFLUENCE OF THE INTERMOLECULAR INTERACTION ON PHYSICO-CHEMICAL PROPERTIES OF CHITOSAN/HYALURONIC ACID BLENDS
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The Effects of Cross-Link Density and Chemical Exchange on Magnetization Transfer in Polyacrylamide Gels
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Characterization of the Physical, Chemical, and Adsorption Properties of Coal-Fly-Ash–Hydroxyapatite Composites
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Identification of Novel Chemical Scaffolds Inhibiting Trypanothione Synthetase from Pathogenic Trypanosomatids
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Chemical Munitions Search & Assessment—An evaluation of the dumped munitions problem in the Baltic Sea
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Method for determination of the chemical composition of phases of the iron catalyst precursor for ammonia synthesis
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Thermodynamics of Chemical Processes in the System of Nanocrystalline Iron–Ammonia–Hydrogen at 350 °C
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Description of plants and assessment of chemical properties of three species from the Amelanchier genus
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Effect of substrate type on the field performance and chemical composition of highbush blueberry cv.Patriot
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Physical, Chemical and Biological Changes in the Gulf of Gdańsk Ecosystem (Southern Baltic Sea).
PublikacjaPrzedstawiono fizyczne, chemiczne i biologiczne zmiany zachodzące w ekosystemie Zatoki Gdańskiej (Południowy Bałtyk. Opisano klimat (temp. wody, opady poziom morza, zasolenie), fluktuację stężeń związków biogennych (azotany,fosforany, krzemiany), poziom organicznych zanieczyszczeń (POP´s, PcB´, pestycydy, WWA) oraz zmiany w biologicznym życiu morza.
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Chemical Origins of Optically Addressable Spin States in Eu2(P2S6) and Eu2(P2Se6)
PublikacjaLanthanide materials with a 4f7 electron configuration (8S7/2) offer an exciting system for realizing multiple addressable spin states for qubit design. While the 8S7/2 ground state of 4f7 free ions displays an isotropic character, breaking degeneracy of this ground state and excited states can be achieved through local symmetry of the lanthanide and the choice of ligands. This makes Eu2+ attractive as it mirrors Gd3+ in exhibiting...
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Elimination of the chemical and microbiological pollutants in the modernized watewater treatment plant ''Wschód'' in Gdańsk.
PublikacjaW artykule przedstawiono wyniki 2 letnich, kompleksowych badań efektywności zanieczyszczeń chemicznych, mikrobiologicznych i parazytologicznych w zmodernizowanej oczyszczalni ścieków ''Wschód'' w Gdańsku. Oceniono wpływ funkcjonowania układu generowania lotnych kwasów tłuszczowych na skuteczność usuwania związków biogennych oraz jego oddziaływanie na eliminację zanieczyszczeń biologicznych z oczyszczonych ścieków
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Centre of Excellence in Envirinmental Analysis and Monitoring at the Chemical Faculty of the Gdańsk University of Technology.
PublikacjaPrzedstawiono działalność Centrum (CEEAM) utworzonego 01.01.2003 na Wydziale Chemicznym PG. Opisano cel powstania, zrealizowane zadania i plany.
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Balance of pesticides mass in gas, liquid and solid phase after their chemical degradation.
PublikacjaOpisano metodę usuwania pestycydów z wody przy zastosowaniu fotodegradacji (UV) i katalizatora (TiO2). Efektywność procesu usuwania pestycydów była kontrolowana przy zastosowaniu chromatografu gazowego z detektorem wychwytu elektronów. Oznaczano zawartość pestycydów w wodzie, a także zaadsorbowanych na powierzchni stałej, oraz w fazie gazowej. Największa zawartość pestycydów znajdowała się na fazie stałej, następnie w cieczy i...
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Structure, performance, and photooxidative stability of Mater-Bi/brewers' spent grain composites as a function of filler thermomechanical and chemical modification
PublikacjaNowadays, to provide a step towards circularity, the development of sustainable polymer composites should include the application of waste-based materials that can act not only as simple fillers, reducing the use of polymers but also as functional additives, limiting or eliminating the use of synthetic components. Herein, in the presented study, the main by-product of the brewing industry, brewers' spent grain (BSG), was applied...
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Chemical pollution and toxicity of water samples from stream receiving leachate from controlled municipal solid waste (MSW) landfill
PublikacjaThe present study was aimed to determine the impact of municipal waste landfill on the pollution level of surface waters, and to investigate whether the choice and number of physical and chemical parameters monitored are sufficient for determining the actual risk related to bioavailability and mobility of contaminants. In 2007–2012, water samples were collected from the stream flowing through the site at two sampling locations,...
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Simple Computational Methods in Predicting Limit Load of High-Strength Cold-Formed Sections due to Local Buckling: A Case Study
PublikacjaCold-formed thin-walled sections are prone to local buckling caused by residual stresses, geometrical imperfections and inconsistency of material properties. We present a real case of buckling failure and conduct a numerical and experimental study aimed to identify methods capable of predicting such failures. It is important because designers of structures are getting more FEA-oriented and tend to avoid lengthy procedures of cold-formed...
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Lipophilicity Determination of Antifungal Isoxazolo[3,4-b]pyridin-3(1H)-ones and Their N1-Substituted Derivatives with Chromatographic and Computational Methods
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Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules
PublikacjaThe study investigates the molecular structure of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and its derivatives in the gas phase using B3LYP and M06-2X functional methods. Intermolecular interactions are analyzed using natural bond orbital (NBO) and atoms in molecules (AIM) techniques. NO2-substituted TEMPO displays high reactivity, less stability, and softer properties. The study reveals that the stability of TEMPO derivatives...
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The influence of amorphous macrodiol, diisocyanate type and l-ascorbic acid modifier on chemical structure, morphology and degradation behavior of polyurethanes for tissue scaffolds fabrication
PublikacjaStudies described in this work were related to the bulk synthesis and characterization of polyurethanes (PURs) obtained with the use of cyclic 4,4′-methylene bis(cyclohexyl isocyanate) (HMDI) or linear 1,6-hexamethylene diisocyanate (HDI), amorphous α,ω-dihydroxy(ethylene-butylene adipate) macrodiol (PEBA), 1,4-butandiol (BDO) chain extender and dibutyltin dilaurate (DBTDL) catalyst. Obtained PURs were modified with l-ascorbic...
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From ashes to porous hierarchical nanocarbon electrode: Upcycling secondary waste materials through self-catalytic chemical vapour deposition
PublikacjaMetal and metal oxide particles are abundant in various ash-based wastes. Utilizing these as catalyst sources for the fabrication of carbon nanomaterials could present a valuable approach to reduce our reliance on non-renewable and costly catalyst sources, thereby facilitating large-scale nanomaterial production. In this context, secondary waste materials (SWMs) are by-products resulting from the (complete or partial) combustion...
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Chemical-Assisted Mechanical Lapping of Thin Boron-Doped Diamond Films: A Fast Route Toward High Electrochemical Performance for Sensing Devices
PublikacjaThere is an urgent need for an effective and economically viable increase in electrochemical performance of boron-doped diamond (BDD) electrodes that are used in sensing and electrocatalytic applications. Specifically, one must take into consideration the electrode heterogeneity due to nonhomogenous boron-dopant distribution and the removal of sp2 carbon impurities saturating the electrode, without interference in material integrity....
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Chemical modification of natural immunomodulators tuftsin and muramyl dipeptide significantly influence their biological activity
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Water and chemical input via hydrometeors in central european mountains with Szrenica Mt. as an example
PublikacjaZanieczyszczenia obecne w powietrzu atmosferycznym są transportowane do powierzchni ziemi przy pomocy osadów atmosferycznych. Celem pracy było przedstawienie chemizmu różnych typów osadów atmosferycznych. Badania prowadzono na szczycie góry Szrenicy. Badania prowadzono od grudnia 2008 do lutego 2010. Przedstawiono wyniki analiz przeprowadzonych dla różnego typu osadów występujących na tym terenie.
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Changes in Chemical Composition and Accumulation of Cryoprotectants as the Adaptation of Anholocyclic Aphid Cinara tujafilina to Overwintering
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On the Formation of Single-Walled Carbon Nanotubes in Pulsed-Laser-Assisted Chemical Vapor Deposition
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Estimation of the expected effects of different surface modifications on mechanical, chemical and biological behaviour of endoprostheses
PublikacjaPrzedstawiono koncepcję nowej endoprotezy o szczególnie wysokiej odporności na zużycie i pękanie. Koncepcja zakada wytwarzanie wieloetapową obróbkę powierzchniową kompozytu metalowo-ceramicznego.
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Comparison of the Chemical Composition and Antimicrobial Activity of <i>Thymus serpyllum</i> Essential Oils
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Matcha Green Tea: Chemical Composition, Phenolic Acids, Caffeine and Fatty Acid Profile
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PHYSICO-CHEMICAL CHARACTERISTICS OF SELECTED HONEYS OF THE WEST POMERANIAN PROVINCE AND THE VALUE OF THEIR PRO-HEALTH
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Characteristics of microstructural phenomena occurring on the surface of protective gloves by the action of mechanical and chemical factors
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Analysis of the application of selected physico-chemical methods in eliminating odor nuisance of municipal facilities
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Identification of chemical pollution problems and causes in the Baltic See in relation to socio-economic drivers
PublikacjaOpisano możliwość wykorzystania nowego narzędzia do zintegrowanej oceny stanu środowiska w akwenie Morza Bałtyckiego. Takie możliwości stwarza narzędzie znane jako DPSIR czyli Drivers (sfery działalności człowieka będące źródłem potencjalnych zznieczyszczeń)-Pressures (ksenobiotyki i specyficzne czynniki szkodliwe emitowane do środowiska)-Stata (stann środowiska)- Impact (efekty niekorzystego oddziaływania na część ożywioną i nieożywioną...
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Effect of glycols used as glycolysis agents on chemical structure and thermal stability of produced glycolysates
PublikacjaZaprezentowano warunki glikolizy poliuretanowych odpadów piankowych, przy użyciu różnych glikoli oraz wyniki badań budowy chemicznej glikolizatów oraz ich właściwości termicznych.
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Quality Assurance and Quality Control in the Analytical Chemical Laboratory. A practical approach : Second edition
PublikacjaThe second edition defines the tools used in QA/QC, especially the application of statistical tools during analytical data treatment. Clearly written and logically organized, it takes a generic approach applicable to any field of analysis. The authors begin with the theory behind quality control systems, then detail validation parameter measurements, the use of statistical tests, counting the margin of error, uncertainty estimation,...
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The Impact of Long-Time Chemical Bonds in Mineral-Cement-Emulsion Mixtures on Stiffness Modulus
PublikacjaDeep cold in-place recycling is the most popular method of reuse of existing old and deteriorated asphalt layers of road pavements. In Poland, in most cases, the Mineral-Cement-Emulsion mixture technology is used, but there are also applications combining foamed bitumen and cement. Mineral-Cement-Emulsion mixtures contain two different binding agents – cement as well as asphalt from the asphalt emulsion. Asphalt creates asphalt...
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Effect of chemical structure and deposition method on optical properties of polyazomethines with alkyloxy side groups
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Chemical recycling of plastic waste as a mean to implement the circular economy model in the European Union
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Decision Support System to Improve the Effectiveness of Chemical Control Against Cutworms in Sugar Beet
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The Tribological, Physico-Chemical and Rheological Properties of Lubricating Grease Produced on Epoxy Resin Base
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Chemical and Mechanical Pressure-Induced Photoluminescence Tuning via Structural Evolution and Hydrostatic Pressure
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Physico-chemical properties of three-component mixtures based on chitosan, hyaluronic acid and collagen
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BelBuk System—Smart Logistics for Sustainable City Development in Terms of the Deficit of a Chemical Fertilizers
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