Filtry
wszystkich: 4452
-
Katalog
- Publikacje 3740 wyników po odfiltrowaniu
- Czasopisma 212 wyników po odfiltrowaniu
- Konferencje 4 wyników po odfiltrowaniu
- Wydawnictwa 1 wyników po odfiltrowaniu
- Osoby 167 wyników po odfiltrowaniu
- Projekty 3 wyników po odfiltrowaniu
- Kursy Online 59 wyników po odfiltrowaniu
- Wydarzenia 5 wyników po odfiltrowaniu
- Dane Badawcze 261 wyników po odfiltrowaniu
wyświetlamy 1000 najlepszych wyników Pomoc
Wyniki wyszukiwania dla: QUANTUM-CHEMICAL CALCULATIONS
-
Exposure status of sea-dumped chemical warfare agents in the Baltic Sea
Publikacja -
Deep sea habitats in the chemical warfare dumping areas of the Baltic Sea
Publikacja -
Application of Chemical Sensors and Olfactometry Method in Ecological Audits of Degraded Areas
Publikacja -
Influence of chemical composition of amide block on the thermal properties and structure of terpolymers
Publikacja -
Improving of Cherry Fruit Quality and Bearing Regularity by Chemical Thinning with Fertilizer
Publikacja -
Polymer films based on silk fibroin and collagen - the physico-chemical properties
Publikacja -
Chemical and thermal stability of core-shelled magnetite nanoparticles and solid silica
Publikacja -
Evaluation of Chemical Changes in Laboratory-Induced Colistin-Resistant Klebsiella pneumoniae
Publikacja -
Chemical and magnetic functionalization of graphene oxide as a route to enhance its biocompatibility
Publikacja -
Development of Chemical Tools to Monitor Human Kallikrein 13 (KLK13) Activity
Publikacja -
Polylactide Films with the Addition of Olive Leaf Extract—Physico-Chemical Characterization
Publikacja -
Application of Coordination Compounds with Transition Metal Ions in the Chemical Industry—A Review
Publikacja -
Application of electrochemical sensors and sensor matrixes for measurement of odorous chemical compounds
PublikacjaIn this paper describes the principle of operation of the electrochemical sensors and the sensor matrixes comprised of electrochemical sensors intended for measurement of odorous compounds. Critical comparison of these sensors’ advantages and disadvantages has been made. The fields of economy contributing to release of odours and the potential sources of their emission have been identified. Commercially available electrochemical...
-
Preliminary studies of the chemical composition and cytotoxic activity of Hottonia palustris herb
Publikacja -
Chemical Aspects of Biological Activity of Isothiocyanates and Indoles, the Products of Glucosinolate Decomposition
PublikacjaThere is growing evidence that cancer chemoprevention employing natural, bioactive compounds may halt or at least slow down the different stages of carcinogenesis. A particularly advantageous effect is attributed to derivatives of sulfur-organic phytochemicals, such as glucosinolates (GLs) synthesized mainly in Brassicaceae plant family. GLs are hydrolysed enzymatically to bioactive isothiocyanates (ITC) and indoles, which exhibit strong...
-
Chemical analysis of low carbon content coals and their applications as dye adsorbent
PublikacjaCoal is primarily a fuel material but lately it has been utilized as an adsorbent for removing toxic metal ions. However, its usage for removing organic pollutants is not well studied. We report here a systematic study on the use of coal samples of varying carbon contents as adsorbents for removing Basic Blue 41 as a model cationic dye. The coal samples were collected from coal mines and were thoroughly characterized. The concentrations...
-
ELECTRICAL CONDUCTIVITY AND pH IN SURFACE WATER AS TOOL FOR IDENTIFICATION OF CHEMICAL DIVERSITY
PublikacjaIn the present study, the creeks and lakes located at the western shore of Admiralty Bay were analysed. The impact of various sources of water supply was considered, based on the parameters of temperature, pH and specific electrolytic conductivity (SEC25). All measurements were conducted during a field campaign in January-February 2017. A multivariate dataset was also created and a biplot of SEC25 and pH of the investigated waters...
-
A Molecular dynamics study of the influence of chemical reduction on the structure of amorphous germania
PublikacjaPraca poświęcona jest badaniom struktury blisko- i średniozasięgowej redukowanego amorficznego tlenku germanu o składzie 1Ge 1GeO2 za pomocą symulacji dynamiczno-molekularnych. Symulacje MD realizowano w zespole mikrokanonicznym (NVE), z wykorzystaniem dwuciałowego potencjału oddziaływania miedzyatomowego Borna-Mayera-Hugginsa. Wyraźnie widoczna tendencja do aglomeracji neutralnych atomów Ge została porównana z tendencją do aglomeracji...
-
A Chemical Recognition Element for Lithium Ions Based on Optical Electronic Absorption.
PublikacjaOtrzymano próbki kserożeli techniką zol-żel. Otrzymane materiały zastosowano do konstrukcji czujników optycznych. Rolę elementu rozpoznającego w uzyskanych próbkach pełnią chromogeniczne etery koronowe zawierające w makro pierścieniu dwie grupy azowe oraz resztę fenolu. W obecności soli metali I grupy układ u okresowego obserwowano zmiany w widmach absorpcyjnych. Dla matrycy zawierającej jako materiał czujnikowy 21-członową...
-
Biological fluids as a source of information on the exposure of man to envinonmental chemical agents.
PublikacjaWiele związków (min. lotne związki chlorowcoorganiczne, metale) ma szkodliwy wpływ na tkanki i narządy organizmu ludzkiego, wywołując nieodwracalne zmiany chorobowe. W celu określenia zagrożenia zawodowego coraz częściej wykonuje się pomiar stężeń substancji chemicznych i ich metabolitów w płynach biologicznych - moczu, krwi, rzadziej w mleku matki, żółci, ślinie, czy też spermie. Aby oznaczyć poziomy tych stężeń, pobrane próbki...
-
Investigations of dissimilar stainless steels welded joints for chemical tankers construction
PublikacjaArtykuł przedstawia właściwości mechaniczne złączy różnoimiennych stali typu duplex oraz austenitycznej typu 316L otrzymanych za pomocą spawania automatycznego łukiem krytym. Wykazano możliwość wykorzystania wysokowydajnej metody SAW w miejsce dotychczas stosowanych metod GTAW i GMAW do spawania blach zbiorników statków do przewozu chemikaliów.
-
Excimer-based red-infrared organic light emitting diodes with very high quantum efficiency
PublikacjaW pracy opisano konstrukcję wydajnej organicznej ekscymerowej diody EL emitującej światło czerwone i podczerwone z wykorzystaniem organicznego kompleksu platyny.
-
Color prediction from first principle quantum chemistry computations: a case of alizarin dissolved in methanol
PublikacjaThe 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...
-
Effect of selective doping on the spatial dispersion of donor-induced quantum dots in Si nanoscale transistors
Publikacja -
Absolute Configuration Determination by Quantum Mechanical Calculation of Chiroptical Spectra: Basics and Applications to Fungal Metabolites
Publikacja -
Bound entanglement maximally violating Bell inequalities: quantum entanglement is not fully equivalent to cryptographic security
PublikacjaW pracy pokazano, że czterokubitowy stan o splątaniu związanym może maksymalnie łamać prostą nierówność Bella podobną do standardowej nierówności CHSH. Prostota rozważanego układu oraz odporność splątania sprawiają, że łamanie to jest obiecujące dla współczesnej technologii eksperymentalnej. Z drugiej strony, splątanie tego stanu nie pozwala na destylację bezpiecznego klucza kryptograficznego, zatem ani splątanie, ani maksymalne...
-
Classical to Path-Integral Adaptive Resolution in Molecular Simulation: Towards a Smooth Quantum-Classical Coupling
Publikacja -
Ab Initio Analysis of a Quantum Dot Induced by a Local External Potential in a Semiconducting Carbon Nanotube
Publikacja -
FROM HARVESTING TO DISTILLATION - EFFECT OF ANALYTICAL PROCEDURES ON THE YIELD AND CHEMICAL COMPOSITION OF RHODODENDRON TOMENTOSUM (LEDUM PALUSTRE) ESSENTIAL OIL
PublikacjaRhododendron tomentosum possesses the anti-inflammatory, analgesic and antimicrobial properties, determined by the chemical composition of its essential oil. The effects of place (Miszewko, Lubichowo) and time of harvesting (June, November) as well as drying (air-drying, oven-drying, freeze-drying) and isolation (in Deryng, Clevenger and Likens-Nickerson apparatus) procedures on the yield and quality of R. tomentosum essential...
-
The impact of interactions between polyphenolic antioxidants on the redox-related chemical and biological properties of their mixtures – the extension of food synergy concept.
PublikacjaThe results of studies indicate that chemopreventive efficiency of isolated phytochemicals is lower than that of polyphenol-rich foods. This discrepancy has been ascribed to the food synergy concept that assumes additive or even synergistic influence of different food ingredients on human health. The results presented in the dissertation made it possible to propose an alternative and innovative explanation of these observations. The...
-
Mater-Bi/Brewers’ Spent Grain Biocomposites—Novel Approach to Plant-Based Waste Filler Treatment by Highly Efficient Thermomechanical and Chemical Methods
PublikacjaThermoplastic starch (TPS) is a homogenous material prepared from native starch and water or other plasticizers subjected to mixing at a temperature exceeding starch gelatinization temperature. It shows major drawbacks like high moisture sensitivity, poor mechanical properties, and thermal stability. To overcome these drawbacks without significant cost increase, TPS could be blended with bio-based or biodegradable polymers and...
-
An insight into the mixed quantum mechanical-molecular dynamics simulation of a ZnII-Curcumin complex with a chosen DNA sequence that supports experimental DNA binding investigations
PublikacjaAn important aspect of research pertaining to Curcumin (HCur) is the need to arrest its degradation in aqueous solution and in biological milieu. This may be achieved through complex formation with metal ions. For this reason, a complex of HCur was prepared with ZnII, that is not likely to be active in redox pathways, minimizing further complications. The complex is monomeric, tetrahedral, with one HCur, an acetate and a molecule...
-
The influence of chemical composition of amide block on the thermal properties and structure of terpoly(ester-b-ether-b-amide) elastomers
PublikacjaMultiblock terpolymers-(PBT-b-PTMO-b-PA12,10)(n)- constituting the polymer systems, in which one of the three blocks (PBT) does not dissolve in PA12,10 block (hard phase) and, depending on its molecular weight is slightly soluble in PTMO block (soft phase), have been obtained. The DSC method was applied to investigate the thermal properties of these polymers and it was found that PBT block acts as an element that produces stiffness...
-
CHEMICAL ENGINEERING SCIENCE
Czasopisma -
DRUG AND CHEMICAL TOXICOLOGY
Czasopisma -
Relationship between Chemical Structure and Biological Activity Evaluated In Vitro for Six Anthocyanidins Most Commonly Occurring in Edible Plants
PublikacjaNumerous studies have provided evidence that diets rich in anthocyanins show a broad spectrum of health benefits. Anthocyanins in nature are usually found in the form of glycosides. Their aglycone forms are called anthocyanidins. The chemical structure of anthocyanins is based on the flavylium cation, but they differ in the position and number of substituents. However, the bioactives and foods that contain them are frequently treated...
-
Nonlinear Optics Quantum Optics-Concepts in Modern Optics
Czasopisma -
INFINITE DIMENSIONAL ANALYSIS QUANTUM PROBABILITY AND RELATED TOPICS
Czasopisma -
Chemical Composition of Atmospheric Air in Nemoral Scots Pine Forests and Submountainous Beech Forests: The Potential Region for the Introduction of Forest Therapy
PublikacjaStudies show that forests are one of the main recreational destinations. This can be explained by their beneficial effects on the health of their visitors, which can be attributed to compounds from the terpene group. The aim of this research was to determine the chemical composition of air in the interiors of Nemoral Scots pine forests and submountainous beech forests, with the determination of compounds of the terpene group. Samples...
-
Comparison of two approaches to potential of mean force calculations of hydrophobic association: particle insertion and weighted histogram analysis methods
Publikacja -
Modeling and Strength Calculations of Parts Made Using 3D Printing Technology and Mounted in a Custom-Made Lower Limb Exoskeleton
PublikacjaThis study is focused on the application of 3D-printed elements and conventional elements to create a prototype of a custom-made exoskeleton for lower limb rehabilitation. The 3D-printed elements were produced by using Fused Deposition Modeling technology and acrylonitrile butadiene styrene (ABS) material. The scope of this work involved the design and construction of an exoskeleton, experimental testing of the ABS material and...
-
3D calculations of aerodynamic forces causing self-excited vibrations of turbine rotor systems. Part II: Pressure forces
PublikacjaPrzedstawiono wyniki badań numerycznych sił generowanych w uszczelnieniu nadbandażowym stopnia turbinowego przeprowadzone metodą Fluent. Uwzględniono niecentryczne położenie osi wirnika względem osi korpusu. Rozpatrzono bandaże o różnej geometrii. Niektóre wyniki zweryfikowano doświadczalnie.
-
Vibrational inelastic electron-H2 scattering revisited: numerically converged coupled channels space frame calculations with model interaction
PublikacjaZderzeniowe wzbudzenie niższych oscylacyjnych poziomów molekuły H2 (^1Σ^+,g) przez elektrony o niskiej energii. Obliczenia wykonano przy użyciu empirycznego modelowego potencjału oraz przez rozwiązanie równania rozpraszania dwukanałowego w układzie współrzędnych, związanych z molekułą.
-
Notched concrete beams under bending - calculations of size effects within stochastic elasto-plasticity with non-local softening
PublikacjaW artykule przedstawiono wyniki numerycznej analizy efektów skali (efektu deterministycznego i stochastycznego) w belkach betonowych nacięciem poddanych zginaniu z uwzględnieniem lokalizacji odkształceń. Obliczenia wykonano przy zastosowaniu metody elementów skończonych i sprężysto-plastycznego modelu z nielokalnym osłabieniem. Pokazano wpływ wielkości belek na nośność z uwzględnieniem stochastycznego rozkładu wytrzymałości na...
-
The effect of Fe on chemical stability and oxygen evolution performance of high surface area SrTix-1FexO3-δ mixed ionic-electronic conductors in alkaline media
PublikacjaDevelopment of environmentally friendly, high performing oxygen evolution reaction (OER) catalysts is an important research challenge. In this work, iron doped strontium titanates with a general formula SrTi1-xFexO3-δ (x = 0.35, 0.50, 0.70, 0.90, and 1.00) denoted as STFx, were synthesized via a solid state reaction technique and characterized in terms of oxygen evolution reaction electrocatalysis in an alkaline electrolyte (0.1...
-
CHEMICAL ENGINEERING RESEARCH & DESIGN
Czasopisma -
CHEMICAL RESEARCH IN CHINESE UNIVERSITIES
Czasopisma -
BRAZILIAN JOURNAL OF CHEMICAL ENGINEERING
Czasopisma -
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
Czasopisma -
CHINESE JOURNAL OF CHEMICAL ENGINEERING
Czasopisma