Filtry
wszystkich: 4258
wybranych: 3634
-
Katalog
- Publikacje 3634 wyników po odfiltrowaniu
- Czasopisma 230 wyników po odfiltrowaniu
- Konferencje 3 wyników po odfiltrowaniu
- Osoby 83 wyników po odfiltrowaniu
- Projekty 11 wyników po odfiltrowaniu
- Kursy Online 23 wyników po odfiltrowaniu
- Wydarzenia 4 wyników po odfiltrowaniu
- Dane Badawcze 270 wyników po odfiltrowaniu
Filtry wybranego katalogu
wyświetlamy 1000 najlepszych wyników Pomoc
Wyniki wyszukiwania dla: MOLECULAR MOTORS
-
RANS-based design optimization of dual-rotor wind turbines
PublikacjaPurpose An improvement in the energy efficiency of wind turbines can be achieved using dual rotors. Because of complex flow physics, the design of dual-rotor wind turbines (DRWTs) requires repetitive evaluations of computationally expensive partial differential equation (PDE) simulation models. Approaches for solving design optimization of DRWTs constrained by PDE simulations are investigated. The purpose of this study is to determine...
-
Variable-fidelity shape optimization of dual-rotor wind turbines
PublikacjaPurpose Dual-rotor wind turbines (DRWTs) are a novel type of wind turbines that can capture more power than their single-rotor counterparts. Because their surrounding flow fields are complex, evaluating a DRWT design requires accurate predictive simulations, which incur high computational costs. Currently, there does not exist a design optimization framework for DRWTs. Since the design optimization of DRWTs requires numerous model...
-
MOOCs in SP4CE - case studies (Strategic Partnership for Creativity and Entrepreneurship)
PublikacjaSP4CE stands for Strategic Partnership for Creativity and Entrepreneurship project which has been funded with support from the European Commission under the ERASMUS+ Programme in the period 1st September 2014 - 31st August 2017. The main purpose of SP4CE project is to design innovative e-learning tools for collaboration between students, enterprises and teachers. It concentrates on identifying users’ needs and supports the development...
-
Novel analogues of bradykinin conformationally restricted in the C-terminal part of the molecule
Publikacja -
Double amino acid – A novel molecule enabling peptide interpenetrating structures
Publikacja -
Evidence for solid state electrochemical degradation within a small molecule OLED
PublikacjaAcridone derivative have been synthesised and used as OLED (Organic Light Emitting Diode) emitters which were found to be electroactive. Electrochemical investigations showed a side reaction takes place inside an active layer which diminished the overall device efficiency. By using a dopant and host active layer architecture, the formation of the by product was removed. The by-product was identified as a σ-dimer formed inside an...
-
Charge dependence of fragmentation process induced by ion collisions with furan molecule
PublikacjaThe goal of this work is to describe the system evolution after ion-molecule interaction. We combine different quantum chemistry and statistical mechanics approaches in order to give extended description of the process. Herein we report on a recent study of the fragmentation mechanism of neutral, singly- and doubly-ionized furan molecule in the gas phase.
-
Electron-scattering total cross sections for complex molecules: group additivity rule
PublikacjaZaprezentowano całkowite przekroje czynne na rozpraszanie elektronów na dwóch rodzinach drobin: pierwszej - zawierającej azot jako atom centralny [N(CH3)3, NH2CH3, NH3]oraz drugiej - rodzinę eterów cyklicznych [c-(CH2)nO, gdzie n=2-5]. Zostało pokazane, że TCS dla niektórych drobin wieloatomowych można wyznaczyć na podstawie wyników TCS dla drobin o prostszej budowie lub ich fragmentów.
-
Formation of CN (B2Σ+) radicals in the vacuum-ultraviolet photodissociation of pyridine and pyrimidine molecules
Publikacja -
Magnetic Molecularly Imprinted Polymer Particles Synthesized by Suspension Polymerization in Silicone Oil
Publikacja -
Molecularly Imprinted Polymers for Stir Bar Sorptive Extraction: Synthesis, Characterization, and Application
Publikacja -
In-Tube Molecularly Imprinted Polymer Solid-Phase Microextraction for the Selective Determination of Propranolol
Publikacja -
Exploring Solanum tuberosum Epoxide Hydrolase Internal Architecture by Water Molecules Tracking
Publikacja -
Review of the applicability of ionic liquid matrices for the quantification of small molecules by MALDI MS
Publikacja -
Non-parametric application of Tsallis statistics to systems consisting of M hydrogen molecules
Publikacja -
Formation of CN (B2∑+) radicals in the vacuum-ultraviolet photodissociation of pyridine and pyrimidine molecules
PublikacjaFormation of the excited CN(B2∑+) free radicals in the photodissociation of pyridine (C5H5N) and pyrimidine (C4H4N2) molecules was investigated over the energy ranges 16–27 and 14.7–25 eV, respectively. Photon-induced fluorescence spectroscopy was applied to detect the vibrationally and rotationally excited CN radicals by recording the B2∑+→X2∑+ emission bands (violet system). The measured dissociation yield curves demonstrate...
-
Fragmentation of isoxazole molecules by electron impact in the energy range 10-85 eV
PublikacjaBadano fragmentację cząsteczek isoxazolu w zderzeniach z elektronami metodą wzbudzenia optycznego. Obserwowano linie wzbudzonego wodoru z serii Balmera oraz pasma emisyjne fragmentów CH oraz CN. Zmierzono bezwzględne wartości emisyjnych przekrojów czynnych.
-
Total electron-scattering cross section measurements for tetrahydropyran, (CH2)5O, molecules
PublikacjaZmierzono całkowity przekrój czynny (TCS) na rozproszenie elektronów na drobinach tetrahydropyranu. Pomiary przeprowadzono metodą transmisyjną w zakresie energii zderzenia 1 - 400 eV. Otrzymana zależność energetyczna TCS wskazuje na obecność procesów rezonansowych w zakresie 3 - 15 eV. Wyniki porównano z całkowitymi przekrojami czynnymi dla drobin tetrahydrofuranu i alkoholu alfa-tetrahydrofurfurylowego.
-
Cross sections for electron scattering from sulfuryl chloride fluoride (SO2ClF) molecules
PublikacjaArtykuł prezentuje zmierzone całkowite przekroje czynne oraz obliczone sprężyste i jonizacyjne przekroje czynne na rozpraszanie elektronów na drobinach SO2ClF dla niskich i średnich energii zderzenia. Wyniki porównano z dostępnymi przekrojami czynnymi dla drobin zawierających siarkę jako atom centralny.
-
Influence of diffusion on nonradiative energy transfer between FMN molecules in aqueous solution
PublikacjaZmierzono zależności wydajności kwantowej roztworów wodnych FMN w zakresie koncentracji od 6,31x10^-5 do 1,8x10^-2 M w temperaturach 298,2 i 323,9 K. Otrzymane wyniki porównano z analogicznymi, uzyskanymi teoretycznie na podstawie modelu nie biorącego i biorącego pod uwagę dyfuzję molekuł fluoroforu. Porównanie wykazuje, że dla badanych roztworów dyfuzja nie może być pominięta, oraz, że dla uzyskania zgodności otrzymanych wyników...
-
Genetic programming extension to APF-based monocular human body pose estimation
PublikacjaNew method of the human body pose estimation based on a single camera 2D observation is presented, aimed at smart surveillance related video analysis and action recognition. It employs 3D model of the human body, and genetic algorithm combined with annealed particle filter for searching the global optimum of model state, best matching the object's 2D observation. Additionally, new motion cost metric is employed, considering current...
-
Calculation of Vibrational Resonance Raman Spectra of Molecules Using Quantum Chemistry Methods
PublikacjaThe understanding and interpretation of experimental resonance Raman (RR) spectra can strongly benefit from theoretical simulations. These can be achieved by combining quantum chemistry (QC) methods to calculate the electronic and vibrational molecular properties, together with appropriate models and approximations to compute the Raman intensities. This chapter presents the main and most commonly employed approaches to calculate...
-
Hydrogen migration in formation of NH(A3Π) radicals in photodissociations of isoxazole and pyridine molecules
PublikacjaIn the present study, the H atom migration was observed in the photodissociation processes of the isoxazole and pyridine molecules in the gas-phase, applying the photon-induced fluorescence spectroscopy (PIFS).
-
Electron collisions with X(CH3)4 molecules (X = C, Si, Ge)
PublikacjaAbsolute grand-total cross sections (TCSs) for electron scattering from tetramethylmethane [C(CH3)4], tetramethylsilane [Si(CH3)4], and tetramethylgermane [Ge(CH3)4] molecules have been measured at electron-impact energies extending from around 0.5 to 300 eV in the linear electron-transmission experiment. The measured TCS energy dependences show very pronounced broad enhancement, peaking near 5.5 eV for Si(CH3)4 and Ge(CH3)4 molecules...
-
Annihilation rates of low-energy positron scattering from simple diatomic molecules
PublikacjaWe discuss the calculations of Zeff coefficients for a series of diatomic molecules over the range of energies below the positronium formation. During the development of a general code for polyatomic, nonlinear molecules colliding with positrons, it was discovered that the earlier one, employed only for diatomic molecules, had an error. The error is corrected and the corrected results are presented here. We also discuss a way of...
-
Positron-electron correlation-polarization potentials for the calculation of positron collisions with atoms and molecules
PublikacjaWe present correlation-polarization potentials for the calculation of scattering cross sections of positrons with atoms and molecules. The potentials are constructed from a short-range correlation term and a long-range polarization term. For the short-range correlation term we present four different potentials that are derived from multi-component density functionals. For the long-range polarization term we employ a multi-term...
-
How water mediates the long-range interactions between remote protein molecules
PublikacjaThe high crowding of macromolecules in the cytoplasm affects the processes that occur inside a living cell. It can, for example, promote the forming of various loosely connected structures of proteins. It also means that bulk water is, essentially, not present there. The relatively thin layer of solvent that separates macromolecules may be able to participate in the long-range interactions between them and make them respond to...
-
Recent advancements in molecularly imprinted polymers for the removal of heavy metal ions and dyes
PublikacjaContamination set off by highly toxic metal ions and dyes is a big threat to the environment and living beings. Various industries like metal plating, mining, pesticides, battery manufacturing, and dyeing release metal ions and toxic dyes directly into the water. It is necessary to remove these toxic substances from the environment. Molecular imprinting technology (MIT) got a lot of attention in the last two decades because of...
-
Biotransformation of Modified Benzylisoquinoline Alkaloids: Boldine and Berberine and In Silico Molecular Docking Studies of Metabolites on Telomerase and Human Protein Tyrosine Phosphatase 1B
Publikacja -
Enantiomeric Resolution of N,N'-Dimethyldithiodianthranilide through Diastereomeric silver(I) complex. Chiroptical spectra, racemization barrier and molecular self-assembly
PublikacjaN,N'-dimetyloditiodiantranilid, związek o chiralności płaszczyznowej, rozdzielono na enancjomery. Optycznie czynne molekuły uzyskano w wyniku tworzenia chiralnego kompleksu N,N'-dimetyloditiodiantranilidu z solą srebrową kwasu (1S)-kamforosulfonowego. W oparciu o badania rentgenostrukturalne monokryształu uzyskanego kompleksu określono absolutną konfigurację przykoordynowanego ligandu jako (R). Enancjomery N,N'-dimetyloditiodiantranilid...
-
CD99 correlates with low cyclin D1, high topoisomerase 2 status and triple negative molecular phenotype but is prognostically irrelevant in breast carcinoma
Publikacja -
Water vapor induced self-assembly of islands/honeycomb structure by secondary phase separation in polystyrene solution with bimodal molecular weight distribution
Publikacja -
Erratum to “Molecular simulation study of cooperativity in hydrophobic association: clusters of four hydrophobic particles” [Biophys. Chem. 105 (2003) 339–359]
Publikacja -
Synergic Effect of Selected Ingredients and Calcium Chloride on the Technological, Molecular and Microbial Usefulness of Eggshells and Their Impact on Sensory Properties in a Food Model System
Publikacja -
Human Umbilical Vein Endothelial Cells (HUVECs) Co-Culture with Osteogenic Cells: From Molecular Communication to Engineering Prevascularised Bone Grafts
Publikacja -
Analysis of interactions responsible for vasopressin binding to human neurohypophyseal hormone receptors—molecular dynamics study of the activated receptor–vasopressin–Gα systems
Publikacja -
Molecular Characterization of a DNA Polymerase from Thermus thermophilus MAT72 Phage vB_Tt72: A Novel Type-A Family Enzyme with Strong Proofreading Activity
Publikacja -
"Car-Parrinello molecular dynamics" jako kluczowe narzędzie informatyczne w badaniach syntezy cienkich warstw diamentowych metodą PA CVD
PublikacjaPraca omawia zastosowanie metody Car-Parrinello MD w symulacji procesu wzrostu cienkich warstw diamentowych w metodzie PAC VD.
-
The effect of sunscreen 4‐methylbenzylidene camphor in different and reproductive models, its bioaccumulation and molecular effects on ligand‐receptor interaction, and protein expression
Publikacja4-Methylbenzylidene camphor (4-MBC) is a photo-absorbing UV filter prevalently used in cosmetics, which can be absorbed into circulation and cause systemic effects. 4-MBC is continued to be released in the environment despite the growing knowledge about its bioaccumulation and endocrine disrupting effects. Previous reviews have mentioned UV-filter together but this review considers 4-MBC alone, due to its prevalence and concerning...
-
Spectroscopic studies on physicochemical properties of selected unsymmetrical bisacridine derivatives and NMR analysis of their interactions with the model sequence Pu22 aided by molecular dynamics
PublikacjaIn recent years, new promising acridine derivatives have appeared, belonging to the unsymmetrical bisacridines (UAs) family with high anticancer activity. Both their physicochemical properties and their mechanism of action at the molecular level have not been thoroughly analyzed so far. Four derivatives were selected for the study, termed as: C-2028, C-2041, C-2045 and C-2053. The first aim of this work was to determine the protonation...
-
Electrochemical, theoretical and surface physicochemical studies of the alkaline copper corrosion inhibition by newly synthesized molecular complexes of benzenediamine and tetraamine with π acceptor
PublikacjaTwo charge transfer complexes, namely [(BDAH)+(PA−)] CT1 [(BTAH)2+(PA−)2] and CT2 (BDAH = 1,2-benzenediamine, BTAH = 1,2,4,5-benzenetetramine, and PA− = 2,4,6-trinitrophenolate), were synthesized and fully characterized using various spectroscopic techniques. CT1 and CT2 were tested as inhibitors to effectively control the uniform and anodic corrosion processes of copper in an alkaline electrolyte (1.0 M KOH) using various electrochemical...
-
Interactions of N-alkyl-N-methylmorpholinium based ionic liquids with acetonitrile studied by density and velocity of sound measurements and molecular dynamics simulations
PublikacjaMorpholinium-based ionic liquids (ILs) and their mixtures with polar co-solvents are an interesting class of emerging electrolytes in electrochemistry that is relatively poorly studied. In this work, densities and sound velocities of four ILs, N-ethyl-N-methylmorpholinium tetrafluoroborate, N-butyl-N-methylmorpholinium tetrafluoroborate, N-octyl-N-methylmorpho-linium tetrafluoroborate and N-decyl-N-methylmorpholinium tetrafluoroborate...
-
Synthesis, Molecular Structure, Anticancer Activity, and QSAR Study of N-(aryl/heteroaryl)-4-(1H-pyrrol-1-yl)Benzenesulfonamide Derivatives
PublikacjaA series of N-(aryl/heteroaryl)-4-(1H-pyrrol-1-yl)benzenesulfonamides were synthesized from 4-amino-N-(aryl/heteroaryl)benzenesulfonamides and 2,5-dimethoxytetrahydrofuran. All the synthesized compounds were evaluated for their anticancer activity on HeLa, HCT-116, and MCF-7 human tumor cell lines. Compound 28, bearing 8-quinolinyl moiety, exhibited the most potent anticancer activity against the HCT-116, MCF-7, and HeLa cell lines,...
-
Mechanism of Binding of Antifungal Antibiotic Amphotericin B to Lipid Membranes: An Insight from Combined Single-Membrane Imaging, Microspectroscopy, and Molecular Dynamics
PublikacjaAmphotericin B is a lifesaving polyene antibiotic used in the treatment of systemic mycoses. Unfortunately, the pharmacological applicability of this drug is limited because of its severe toxic side effects. At the same time, the lack of a well-defined mechanism of selectivity hampers the efforts to rationally design safer derivatives. As the drug primarily targets the biomembranes of both fungi and humans, new insights into the...
-
Rigid Finite Element Modeling for Identification of Vibrations in Elastic in Elastic Rod Driven by a DC-motor Suplied from a Thyristor Rectifier
PublikacjaRozdział dotyczy analizy numerycznej układu elektromechanicznego. Układ składa się z silnika zasilanego z jednopołówkowego prostownika tysystorowego i napędzanego tym silnikiem wirującego pręta. Celem obliczeń jest określenie postaci i wielkości drgań pręta, jeśli uwzględniamy jego elastyczność. Dyskretna struktura modelu to łańcuch wielomasowy ciał - sztywnych ciał połączonych bezmasowymi węzłami. Autorzy obliczyli zachowanie...
-
Characterization of Mechanical and Bactericidal Properties of Cement Mortars Containing Waste Glass Aggregate and Nanomaterials
Publikacja -
Mechanical response of buried High-Density Polyethylene pipelines under normal fault motions
Publikacja -
The Impact of a Single Educational Lecture on the Vaccine Confidence among Pregnant Women and Young Mothers
Publikacja -
Degradation of stiffness of building columns exposed to bending and impact load during ground motions
PublikacjaThe safety of civil engineering structures under external loads, including ground motions, is one of the issues related to the idea of sustainable society. The earthquake-induced soft-storey failure is a typical type of damage observed in buildings due to seismic excitation. The failure of an intermediate soft storey of a structure results in large vertical impact loading acting on the lower floors due to the fall of the upper...
-
Correlation between Compressive Strength and Heat of Hydration of Cement Mortars with Siliceous Fly Ash
PublikacjaThis paper presents the results of calorimetric and strength tests of mortars with ordinary Portland cement and two substitution rates (10 and 20%) of cement by siliceous fly ash. The prepared samples were cured under isothermal conditions at four different temperatures: 23, 33, 43 and 53 °C. Heat of hydration was measured using an isothermal calorimeter dedicated to monitor the hydration process of cementitious composites such...