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Multi-DBD plasma actuator for flow separation control around NACA 0012 and NACA 0015 airfoil models
PublicationIn this paper application of innovative multi-DBD plasma actuator for flow separation control is presented. The influence of the airflowgenerated by this actuator on the flow around NACA 0012 and NACA 0015 airfoil models was investigated. The results obtained from 2D PIVmeasurements showed that the multi-DBD actuator with floating interelectrode can be attractive for leading and trailing edge separation control.
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Effective Gap Size Index for Determination of Optimum Separation Distance Preventing Pounding between Buildings during Earthquakes
PublicationSeismic excitations may lead to collisions between adjacent civil engineering structures causing major damage. In this paper, an effective equation for calculating the gap size index is proposed so as to provide the optimum separation distance preventing structural pounding during different earthquakes. Evaluation of the best prediction of the required separation distance between two adjacent buildings was carried out by using...
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Zr‐Based Metal‐Organic Framework UiO‐66/Ultem® 1000 Membranes for Effective CO2/H2 Separation
PublicationMixed-matrix membranes (MMMs) using UiO-66 nanofillers as dispersing inorganic phase and polyetherimide (PEI) as continuous polymeric matrix were synthesized. Different UiO-66 loadings of 10, 20, and 30 wt % were applied. The morphology and UiO-66 dispersion over the prepared MMMs were examined. Gas separation measurements were performed for H2/CO2 gas mixture to evaluate the influence of UiO-66 on the separation yield of resulting...
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The 41Σ+ electronic state of LiCs molecule
PublicationThe 41Σ+ state of LiCs molecule is observed experimentally for the first time. The inverted perturbation approach (IPA) method is used to derive the potential energy curve of the state from the measured spectra. The experiment is accompanied by theoretical calculations of adiabatic potentials for excited states in LiCs including 41Σ+, performed with the MOLPRO program package. The irregular shape of the 41Σ+ state potential predicted...
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Electron Elastic Collisions with C3F6 Molecule
PublicationObliczono różniczkowy i scałkowany przekrój czynny na zderzenia elektronu z molekułą C3F6 w zakresie średnich i wysokich energii (50-1000eV). Obliczenia wykonano stosując metodę atomów niezależnych. Stwierdzono dobrą zgodność z wynikami oszacowanymi na podstawie eksperymentu.
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Long-range, water-mediated interaction between a moderately active antifreeze protein molecule and the surface of ice
PublicationUsing molecular dynamics simulations, we show that a molecule of moderately active antifreeze protein (type III AFP, QAE HPLC-12 isoform) is able to interact with ice in an indirect manner. This interaction occurs between the ice binding site (IBS) of the AFP III molecule and the surface of ice, and it is mediated by liquid water which separates these surfaces. As a result, the AFP III molecule positions itself at a specific orientation...
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Properties of retrograded and acetylated starch preparations: Part 1. Structure, susceptibility to amylase, and pasting characteristics
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Health-promoting function of wheat or potato resistant starch preparations obtained by physico-biochemical process
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Fermentation of native wheat, potato, and pea starches, and their preparations by bifidobacterium - changes in resistant starch content
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Native wheat, potato and pea starches and their physically modified preparations testedin vitroas the substrates for selectedBifidobacteriumstrains
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Utilization of resistant starch of native tapioca, corn and waxy corn starches and their retrograded preparations byBifidobacterium
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Electron collision with B(CD3)3 molecules
PublicationArtykuł prezentuje całkowite przekroje czynne na rozpraszanie elektronów na drobinach B(CD3)3 zmierzone dla niskich i średnich energii zderzenia. Wyniki porównano z elastycznymi i jonizacyjnymi przekrojami czynnymi obliczonymi dla drobiny B(CD3)3 dla średnich energii zderzenia. Porównano i przedyskutowano przekroje czynne dla drobin zawierających bor.
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Superhalogen oxidizers capable of ionizing water molecules
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Applications of water molecules for analysis of macromolecule properties
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Quantum correlations in one-dimensional Wigner molecules
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Ionization and fragmentation of furan molecules by electron collisions
PublicationCation mass spectra obtained by electron impact were measured to investigate the ionization and ionic fragmentation of furan, C4H4O, molecules in the gas phase. The most abundant cations, with comparable intensities in the mass spectra, were the parent, C4H4O+, cation (68 amu) and the C3H3+ fragment (39 amu). The appearance energies of most of the observed ionic fragments were determined and the possible fragmentation processes...
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Sanguiins—Promising Molecules with Broad Biological Potential
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Roadmap on dynamics of molecules and clusters in the gas phase
PublicationThis roadmap article highlights recent advances, challenges and future prospects in studies of the dynamics of molecules and clusters in the gas phase. It comprises nineteen contributions by scientists with leading expertise in complementary experimental and theoretical techniques to probe the dynamics on timescales spanning twenty orders of magnitudes, from attoseconds to minutes and beyond, and for systems ranging in complexity...
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Synthesis and polymerisation techniques of molecularly imprinted polymers
PublicationMolecularly Imprinted Polymers (MIPs) are materials that has been processed using the molecular imprinting technique which permit to obtain well-defined three-dimensional cavities, with affinity to a template molecule, in the polymer matrix. Technology involves three strategies, i.e., covalent, non-covalent and semi-covalent approach, but the most popular is non-covalent approach. The most important components for the synthesis...
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Dissociative photo-double-ionization of the isoxazole molecules
PublicationThe five-membered heterocyclic rings are incorporated into a wide variety of structures that play a vital role in many biochemical processes. In particular, the isoxazole molecule appears in many bioactive compounds due to its unique ring structure that consists of one oxygen atom and one nitrogen atom at adjacent positions. The unique atomic composition and bond arrangement of isoxazole imply its specific electronic properties...
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Molecularly imprinted polymers for the detection of volatile biomarkers
PublicationIn the field of cancer detection, the development of affordable, quick, and user-friendly sensors capable of detecting various cancer biomarkers, including those for lung cancer (LC), holds utmost significance. Sensors are expected to play a crucial role in the early-stage diagnosis of various diseases. Among the range of options, sensors emerge as particularly appealing for the diagnosis of various diseases, owing to their cost-effectiveness,...
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Electron scattering from C4H6 and C4F6 molecules.
PublicationZmierzono całkowity przekrój czynny (TCS) na zderzenie elektronów z izomerami C4H6 i z drobiną C4F6. Pomiary przeprowadzono w oparciu o liniową metodę transmisyjną. Dla izomerów C4H6 stwierdzono różnice w kształcie i wielkości TCS w obszarze niskich energii. Wskazano na efekt fluoryzacji.
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Scattering of electron from hydride molecules: PH3.
PublicationArtykuł prezentuje zmierzone całkowite przekroje czynne na rozpraszanie elektronów dla PH3 w zakresie energii 0.5-370eV. Wyniki otrzymane za pomocą metody transmisyjnej zostały porównane z dostępnymi danymi doświadczalnymi i teoretycznymi. Przeprowadzono również analizę zachowania się całkowitego przekroju czynnego w funkcji energii dla drobin izoelektronowych zawierających wodór i atomy pierwiastków z trzeciego okresu (SiH4, PH3,H2S,...
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Electron collisions with trifluorides: BF3 and PF3 molecules.
PublicationArtykuł prezentuje zmierzone metodą transmisyjną całkowite przekroje czynne na rozpraszanie elektronów na płaskich drobinach BF3 i piramidalnych cząstkach PF3 w zakresie energii 0.5-370eV. Otrzymane wyniki zostały porównane z dostępnymi cząstkowymi przekrojami czynnymi (tj. sprężystym, jonizacyjnym). Zaprezentowane całkowite przekroje czynne porównano także ze sobą aby zbadać wpływ geometrii drobiny na wartość i kształt całkowitego...
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Electron collisions with nitrogen trifluoride (NF3) molecules.
PublicationArtykuł prezentuje zmierzone całkowite przekroje czynne oraz obliczone sprężyste i jonizacyjne przekroje czynne na rozpraszanie elektronów na drobinach fluorku azotu (NF3) dla niskich i średnich energii zderzenia. Wyniki porównano z dostępnymi cząstkowymi przekrojami czynnymi. W celu zbadania wpływu podstawienia atomów fluoru w miejsce atomów wodoru porównano całkowite przekroje czynne dla NF3 i NH3 (efekt fluorowania).
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Electron collisions with boron trichloride (BCl3) molecules
PublicationPrzedstawiono wyniki pomiarów absolutnych, całkowitych przekrojów czynnych na rozpraszanie elektronów na drobinach BCl3. Pomiary przeprowadzono w zakresie energii 0.3 - 370eV. Otrzymane wyniki porównano z dostępnymi cząstkowymi przekrojami czynnymi (tj. sprężystym, jonizacyjnym. Przedyskutowano rolę peryferyjnych atomów molekuły, zestawiając wyniki pomiarów całkowitych przekrojów czynnych dla drobin BCl3 i BF3.
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Electron scattering by sulfur tetrafluoride (SF4) molecules
PublicationZmierzono absolutny, całkowity przekrój czynny na rozpraszanie elektronów na drobinach SF4 w zakresie energii 0.1-370 eV. Wyniki porównano z oszacowaniami przeprowadzonymi wcześniej w oparciu o cząstkowe, tj. sprężyste i jonizacyjne przekroje czynne dla SF4. Otrzymane charakterystyki dla drobiny SF4 zestawiono z wynikami uzyskanymi dla drobin SFn (n=1,2,6)
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PROJECT OF AN TDC SIGNAL DISTRIBUTOR PROTOTYPE WITH GAL-VANIC SEPARATION DESTINED FOR STUDIES OF THE BEGINNING OF SELFIGNITION USING LANGMUIR PROBE
PublicationThe knowledge of pistons' TDC is crucial while performing any kind of measurement beneficial to diagnostic inference of a diesel engine. The research of engines under exploitation often cause impartial difficulties with, eg. capability of probe installation. Therefore, it becomes crucial to minimalize those. The paper presents a description of a TDC impulse distributor - divider that provides signal delivery to more than one measurement...
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Comparison of Polypropylene and Ceramic Microfiltration Membranes Applied for Separation of 1,3-PD Fermentation Broths and Saccharomyces cerevisiae Yeast Suspensions
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Evaluation of solid phase extraction for downstream separation of propane-1,3-diol and butan-1-ol from fermentation broth
PublicationGlycerol is mainly a by-product of fat splitting and biodiesel production. This study examined the use of chemically modified silica gels for downstream separation of propane-1,3-diol and butan-1-ol from fermentation broths obtained through the glycerol fermentation process. The developed method was found to be simple and efficient for the isolation and purification of butan-1-ol from the other components in the fermentation mixture....
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Verification of Formulas for Periods of Adjacent Buildings Used to Assess Minimum Separation Gap Preventing Structural Pounding during Earthquakes
PublicationInsufficient separation distance between adjacent buildings may lead to serious damages during earthquakes due to structural pounding. The best way to prevent collisions is to provide sufficiently large separation distance between the structures. In this paper, the periods of two closely-spaced linear and nonlinear buildings have been investigated so as to accurately assess the minimum in-between separation gap. A new equation...
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Separation and determination of the group-type composition of modern base and lubricating oils with a wide range of polarity, especially emitted to the environment
PublicationLubricating oils are composed of base oils (>85% v/v) and enriching additives (<15% v/v). Three types of base oils may be distinguished: 1) traditional bases (obtained by low-volatile fractions from crude oil distillation refining), 2) synthetic bases (mainly poly-alpha-olefins, sometimes esters, especially succinic acid esters), 3) bases of natural origin (especially obtained from refined plant oils). The bases of natural origin...
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Crystal and molecular structure of bis(O,O'-diethyldithiophosphato-S,S')nickel(II): A redetermination
PublicationDoniesienie przedstawia ponownie wyznaczoną strukturę tytułowego, centrosymetrycznego kompleksu, [Ni{S2P(OC2H5)2}2]. Centralny rdzeń (S2P)2 jest płaski, co potwierdza wcześniejsze wyniki uzyskane przez McConnell'a i Kastalsky'ego, przy czym odchylenia standardowe są około siedmiokrotnie mniejsze oraz wyznaczono wszystkie pozycje atomów wodoru. W strukturze krystalicznej zaobserwowano róznież parę krótkich kontaktów HH (2.33 Å).
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Chapter 32. Method to predict the critical micelle concentration of ionic liquids from the molecular volume
PublicationAmfifilowość wielu imidazoliowych cieczy jonowych powoduje, że zjawiska powierzchniowe mają znaczny wpływ na właściwości układów zawierających te związki. Dotychczas przeprowadzono wiele badań w celu wyznaczenia krytycznego stężenia micelizacji cieczy jonowych o różnej budowie. Ze względu na możliwość modyfikacji budowy kationu i wyboru anionu oraz ich kombinacji, podjęto próbę opracowania empirycznego równania pozwalajacego na...
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Bacterial SSB-like proteins of family Deinococcaceae - indentification, isolation, obtaining, purification and molecular characteristic
PublicationWiększość poznanych białek SSB jest aktywna w formie homotetramerycznej. Od 2002 roku znane są białka organizmów ekstremofilnych. Scharakteryzowano białka mikroorganizmów rodziny Deinococaceae. Uzyskane termostabilne białka stanowią atrakcyjną alternatywę w stosunku do znanych białek SSB w metodach diagnostyki molekularnej, technikach biologii molekularnej i analityce.
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The anion [Mg6Cl8Cp*5]-: a final intermediate on the way to the molecular donor-free Grignard compound MgClCp*?
PublicationOtrzymano i scharakteryzowano strukturalnie rzadki przypadek związku Grignarda pozbawionego donora. Struktura krystaliczna [Mg6Cl8Cp*5][AlCp*2] C6H6 zawiera zarówno metallocen (Cp*AlCp*) jak i odwrócony metallocen (MgCp*Mg).
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Positional Scanning Identifies the Molecular Determinants of a High Affinity Multi-Leucine Inhibitor for Furin and PACE4
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Isolation and molecular characterization of Fowl adenovirus strains in Black grouse: First reported case in Poland
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Application of gas chromatographic data and 2D molecular descriptors for accurate global mobility potential prediction
PublicationMobility is a key feature affecting the environmental fate, which is of particular importance in the case of persistent organic pollutants (POPs) and emerging pollutants (EPs). In this study, the global mobility classification artificial neural networks-based models employing GC retention times (RT) and 2D molecular descriptors were constructed and validated. The high usability of RT was confirmed based on the feature selection...
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Solubility of dapsone in deep eutectic solvents: Experimental analysis, molecular insights and machine learning predictions
PublicationBackground. Dapsone (DAP) is an anti-inflammatory and antimicrobial active pharmaceutical ingredient used to treat, e.g., AIDS-related diseases. However, low solubility is a feature hampering its efficient use. Objectives. First, deep eutectic solvents...
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Effect of bio-polyol molecular weight on the structure and properties of polyurethane-polyisocyanurate (PUR-PIR) foams
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Municipal landfill leachate nitrification in RBC biofilm – Process efficiency and molecular analysis of microbial structure
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Molecular dynamics study on the influence of C-terminal sugar substitution on dynamics and conformation of vancomycin derivatives
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Structure of the twist-bend nematic phase with respect to the orientational molecular order of the thioether-linked dimers
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Molecular mechanism(s) of regulation(s) of c-MET/HGF signaling in head and neck cancer
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Molecular dynamics simulation of human neurohypophyseal hormone receptors complexed with oxytocin—modeling of an activated state
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Classical to Path-Integral Adaptive Resolution in Molecular Simulation: Towards a Smooth Quantum-Classical Coupling
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Molecular modeling and evaluation of novel dibenzopyrrole derivatives as telomerase inhibitors and potential drug for cancer therapy
PublicationDuring previous years, many studies on synthesis, as well as on anti-tumor, anti-inflammatory and anti-bacterial activities of the pyrazole derivatives have been described. Certain pyrazole derivatives exhibit important pharmacological activities and have proved to be useful template in drug research. Considering importance of pyrazole template, in current work the series of novel inhibitors were designed by replacing central...
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Coordination polymers and molecular structures among complexes of mercury(II) halides with selected 1-benzoylthioureas
PublicationSix new 1-benzoyl-3-phenylthiourea and 1-benzoyl-3-(2-methylphenyl)thiourea complexes of mercury( II) were obtained in the reactions of the ligands with HgX2 in methanol (X = Cl, Br, I). Their structures, determined by single-crystal X-ray diffraction analysis, exhibit different stoichiometries and molecular organization. Coordination centers adopt more or less distorted tetrahedral geometry (five structures) or distorted trigonal...
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Synthesis, Molecular Structure, Metabolic Stability and QSAR Studies of a Novel Series of Anticancer N-Acylbenzenesulfonamides
PublicationA series of novel N-acyl-4-chloro-5-methyl-2-(R1-methylthio)benzenesulfonamides 18–47 have been synthesized by the reaction of N-[4-chloro-5-methyl-2-(R1-methylthio) benzenesulfonyl]cyanamide potassium salts with appropriate carboxylic acids. Some of them showed anticancer activity toward the human cancer cell lines MCF-7, HCT-116 and HeLa, with the growth percentages (GPs) in the range from 7% to 46%. Quantitative structure-activity relationship...