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Wyniki wyszukiwania dla: QUANTUM MATTER CHEMISTRY
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Journal of the Korean Society for Applied Biological Chemistry
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Journal of the Turkish Chemical Society, Section A: Chemistry
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Chemistry Africa-A Journal of the Tunisian Chemical Society
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Witold Przychodzeń dr hab. inż.
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Anna Kuczyńska-Łażewska dr inż.
OsobyAnna Kuczyńska-Łażewska ukończyła studia na Wydziale Chemicznym Politechniki Gdańskiej na kierunku Chemia (I st.) i Technologie Ochrony Środowiska, specjalizacja: systemy ochrony środowiska (II st.). W 2014 odbyła 3-miesięczny staż w Leibniz-Institut für Katalyse w Rostocku. Doktorat w tematyce recyklingu modułów I i II generacji obroniła w 2018 roku po opieką prof. dr hab. Ewy Klugmann-Radziemskiej w Katedrze Aparatury i Maszynoznawstwa...
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A derivatisation agent selection guide
PublikacjaThe development of new tools for providing high quality information in a cost-effective and expeditious way is one of the main aims of analytical chemistry. Remarkably, the introduc- tion of the 12 principles of green chemistry paved the way forward for the development of analytical methodologies that are, ideally, inherently safe for the operator and the environ- ment, with the least possible consumption of energy and chemicals,...
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Toward Mechanosynthesis of diamondoid structures: III. Quantum-chemical study of silylene molecule and silicon atom transfer mechanism from caped SWCNT tip to the reaction center on a hydrogenated Si(111) surface
PublikacjaOpublikowana wcześniej (Modelling Simul. Mater. Sci. Eng., Vol. 7, 1999, pp. 43-58) strategia mechanosyntezy struktur krzemu na uwodornionej płaszczyźnie Si(111) została poszerzona poprzez uwzględnienie ostrza w postaci zamkniętej SWCNT jako urządzenia kontrolującego położenie cząsteczki sililenu oraz atomu krzemu.
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Aneta Panuszko dr hab.
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Dorota Martysiak-Żurowska dr hab. inż.
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AGREE—Analytical GREEnness Metric Approach and Software
PublikacjaGreen analytical chemistry focuses on making analytical procedures more environmentally benign and safer to humans. The amounts and toxicity of reagents, generated waste, energy requirements, the number of procedural steps, miniaturization, and automation are just a few of the multitude of criteria considered when assessing an analytical methodology’s greenness. The use of greenness assessment criteria requires dedicated tools. We...
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Anna Skwierawska dr hab. inż.
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CLINICAL CHEMISTRY
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Open Chemistry
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Environmental Chemistry
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Hasse diagram as a green analytical metrics tool: ranking of methods for benzo[a]pyrene determination in sediments
PublikacjaThis study presents an application of the Hasse diagram technique (HDT) as the assessment tool to select the most appropriate analytical procedures according to their greenness or the best analytical performance. The dataset consists of analytical procedures for benzo[a]pyrene determination in sediment samples, which were described by 11 variables concerning their greenness and analytical performance. Two analyses with the HDT...
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IEEE JOURNAL OF SELECTED TOPICS IN QUANTUM ELECTRONICS
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Ecological Chemistry and Engineering A - Chemia i Inżynieria Ekologiczna A
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CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE
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Biochemistry Moscow-Supplement Series B-Biomedical Chemistry
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Anti-Inflammatory and Anti-Allergy Agents in Medicinal Chemistry
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Journal of Macromolecular Science Part A-Pure and Applied Chemistry
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TALANTA.The International Journal of Pure and Applied Analytical Chemistry
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Optimization of the femtosecond laser impulse for excitation and the spin-orbit-mediated dissociation in the NaRb molecule
Dane BadawczeHigh accuracy ab initio potential energy curves (1tSigma+, 2sSigma+, 1tPi), electronic transition dipole moment function (1tSigma+ - 1tPi), and spin-orbit coupling (2sSigma+ - 1tPi) have been calculated for the NaRb molecule. The time-dependent excitation and dissociation processes in the polar alkali diatomic NaRb molecule and the quantum properties...
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Izabela Koss-Mikołajczyk dr inż.
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Daria Kowalkowska-Zedler dr inż.
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Application of molecularly imprinted polymers in analytical chiral separations and analysis
PublikacjaOver the last two decades the process of development and application of a new types of molecular imprinted polymer (MIP) sorbents in the field of analytical chemistry have been widely described in the literature. One of the new trends in analytical chemistry practice is the use of new types of MIP sorbents as specific sorption materials constituting the stationary phase in advanced separation techniques. The following review paper...
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How can analysts use multicriteria decision analysis?
PublikacjaProper decision making in multifacitated situation is very challenging task. It is especially difficult if there are many alternatives and criteria that are often contradictory. Analytical chemistry and related sciences involve many situations where decisions on complex problems are made. The support tools may be the use of MCDA (Multi-criteria Decision Analysis) algorithms. They formalize the decision process, make it transparent...
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Application of TOPSIS for Selection and Assessment of Analytical Procedures for Ibuprofen Determination in Wastewater
PublikacjaThis paper describes the possible implementation of the Technique for Order Preference by Similarity to Ideal Solution (TOPSIS) as green analytical chemistry metrics tools. TOPSIS is one of the multi-criteria decision analysis (MCDA) tools that is applied in the selection of the best alternative from many possible. In this case we have applied it to assess the nineteen analytical procedures for ibuprofen determination in wastewater...
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Overview of the three multicriteria approaches applied to a global assessment of analytical methods
PublikacjaCritical and global evaluation of analytical methods should be one of the primary goals in analytical chemistry. A holistic approach, however, requires a look at the varied features: commonly discussed validation criteria, often underrated practical and economic aspects, and typically overlooked compliance with the principles of green analytical chemistry. Carrying out such an assessment in a critical and transparent way is extremely...
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Aleksandra Ziółkowska dr inż.
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Anna Ciborska dr inż.
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Trends in the new generation of green solvents in extraction processes
PublikacjaAnalytical chemistry, like other scientific fields, has undergone a number of changes to make it more consistent with the concept of sustainable development. Among the various steps of chemical analysis, without a doubt, sample preparation is the bottleneck in regard to following a green protocol, especially in terms of solvent consumption. Therefore, many attempts have been made to improve the environmental friendliness of this...
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CLICK 'n' Sleep: Light-Switch Behavior of Triazole-Containing Tris(bipyridyl)ruthenium Complexes
PublikacjaA set of RuII complexes incorporating triazole subunits are presented. They show a solvent-dependent light-switch effect. Theoretical calculations revealed the excited states involved in the emission process. The findings are highly important for future design of light-switch sensors and suggest a severe restriction for functional photomolecular devices synthesized by CLICK chemistry.
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The spontaneous electron emission and rotational predissociation lifetimes of the diatomic silver anion
Dane BadawczeThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Anna Ordyszewska dr inż.
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Karol Biernacki dr inż.
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Eu2Mg3Bi4: Competing Magnetic Orders on a Buckled Honeycomb Lattice
PublikacjaThe honeycomb lattice and its derived variants provide information on modeling and designing quantum magnets. A novel magnetic material, Eu2Mg3Bi4, which stabilizes in a previously unknown buckled honeycomb lattice, was discovered by high-pressure and high-temperature methods. We report here on the synthesis exploration of pure single crystals, structural determination of the buckled honeycomb lattice of europium moments, and experimental observation...
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IRANIAN JOURNAL OF CHEMISTRY & CHEMICAL ENGINEERING-INTERNATIONAL ENGLISH EDITION
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Electronic Journal of the International Federation of Clinical Chemistry and Laboratory Medicine
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Synthesis and Reactivity in Inorganic Metal-Organic and Nano-Metal Chemistry
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Monte Carlo simulations
Kursy OnlineVirtual platform for the project "Monte Carlo simulations of energetic electrons and positrons in condensed matter".
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Supramolecular deep eutectic solvents and their applications
PublikacjaIn recent years, the growing awareness of the harmfulness of chemicals to the environment has resulted in the development of green and sustainable technologies. The compromise between economy and environmental requirements is based on the development of new efficient and green solutions. Supramolecular deep eutectic solvents (SUPRADESs), a new deep eutectic solvent (DES) subclass characterized by inclusion properties, are a fresh...
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ENZO-BIO-PUR Zrównoważone poliuretany: "od kołyski aż po grób" z użyciem enzymów
ProjektyProjekt realizowany w Katedra Technologii Polimerów zgodnie z porozumieniem UMO-2023/05/Y/ST8/00076
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Intramolecular transformation of an antifungal antibiotic nystatin A1 into its isomer, iso-nystatin A1 - structural and molecular modeling studies
PublikacjaNystatin A1, a polyene macrolide antifungal antibiotic, in a slightly basic or acidic solution undergoes an intramolecular transformation, yielding a structural isomer, the translactonization product, iso-nystatin A1 with lactone ring diminished by two carbon atoms. Structural evidence is provided by advanced NMR and Mass Spectrometry (MS) studies. Molecular dynamics simulations and quantum mechanics calculations gave the insight...
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Absolute configurations of C34 and C35 of antibiotic niphimycin A
PublikacjaThe relative configurations of four stereogenic centers of the C33-C42 fragment of niphimycin A were assigned as 2S*, 3R*, 4S* and 6S*, based upon 1H NMR analysis with double-quantum filtered COSY and nuclear Overhauser spectroscopy experiments. These data were then correlated with absolute configurations at C36 and C38 of niphimycin A, which were declared previously as 36S and 38S [3]. This allowed for the assignment of the absolute...
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Absolute configurations of C34 and C35 of antibiotic niphimycin A
PublikacjaThe relative configurations of four stereogenic centers of the C33-C42 fragment of niphimycin A were assigned as 2S*, 3R*, 4S* and 6S*, based upon (1)H NMR analysis with double-quantum filtered COSY and nuclear Overhauser spectroscopy experiments. These data were then correlated with absolute configurations at C36 and C38 of niphimycin A, which were declared previously as 36S and 38S [3]. This allowed for the assignment of the...
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The effect of paleo-environment on hydrocarbon generation potential: Example from Vaca Muerta Formation, Neuquén Basin, Argentina
PublikacjaA 137-m continuous core from the Jurassic-Early Cretaceous marine derived oil shale with the maturity Ro about 0.7 %, representing the oil window in the Vaca Muerta Formation, Neuquén Basin, Argentina, was examined using geological, mineralogical, petrographic, and geochemistry techniques. Three distinct intervals were identified within the core: the upper carbonate-rich section with intense bioturbation, indicating dysoxic to...
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Experimentally feasible semi-device-independent certification of four-outcome positive-operator-valued measurements
PublikacjaRecently the quantum information science community devoted a lot of attention to the theoretical and practical aspects of generalized measurements, the formalism of all possible quantum operations leading to acquisition of classical information. On the other hand, due to imperfections present in quantum devices, and limited thrust to them, a trend of formulating quantum information tasks in a semi-device-independent manner emerged....
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The biotic and abiotic mercury at the coastal zone of Gulf of Gdańsk
Dane BadawczeConcentration of neurotoxin Hg (mercury) was determined monthly form 01.2012 to 05.2013 (total and suspended) in the surface microlayer and the surface water as well as in: phytoplankton, zooplankton, epilithon, epifithon, phytobenthos (macroalgae and angiosperms), zoobenthos, and in the sediment. The study was conducted in the coastal zone of the Puck...
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The rovibrational energy levels of the diatomic silver anion and neutral silver dimer
Dane BadawczeThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...