Filtry
wszystkich: 125
wybranych: 80
Wyniki wyszukiwania dla: d-glukitolo-6-fosforan
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Experimental Investigations on the Influence of Coil Arrangement on Melting/Solidification Processes
PublikacjaThe latent heat thermal energy storage units are very popular because of their high energy density and almost close to constant temperature during the charging/discharging. In the present study has been proposed new shell-and-coil geometry with a shifted coil position to enhance the performance of phase change thermal magazine. The experimental investigations have been performed both for the melting and solidification process of...
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DMSO and TMAO—Differences in Interactions in Aqueous Solutions of the K-Peptide
PublikacjaInteractions between a solvent and their co-solute molecules in solutions of peptides are crucial for their stability and structure. The K-peptide is a synthetic fragment of a larger hen egg white lysozyme protein that is believed to be able to aggregate into amyloid structures. In this study, a complex experimental and theoretical approach is applied to study systems comprising the peptide, water, and two co-solutes: trimethylamide...
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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...
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Guanosine Dianions Hydrated by One to Four Water Molecules
PublikacjaIntermolecular interactions such as those present in molecule···water complexes may profoundly influence the physicochemical properties of molecules. Here, we carried out an experimental–computational study on doubly deprotonated guanosine monophosphate···water clusters, [dGMP – 2H]2–·nH2O (n = 1–4), using a combination of negative anion photoelectron spectroscopy (NIPES) with molecular dynamics (MD) and quantum chemical (QM) calculations....
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The influence of the grid density of measurement points on damage detection in an isotropic plate by the use of elastic waves and laser scanning Doppler vibrometry
PublikacjaDamage detection in structural components, especially in mechanical engineering, is an 2 important element of engineering practice. There are many methods of damage detection, in which 3 changes in various parameters caused by the presence of damage are analysed. Recently, methods 4 based on the analysis of changes in dynamic parameters of structures, i.e. frequencies or mode shapes 5 of natural vibrations, as well as changes in...
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Ekspertyza techniczna w sprawie uszkodzeń nawierzchni drogi wojewódzkiej nr 434, odcinek Śrem-Rawicz
PublikacjaZe względu na postępujący proces degradacji nawierzchni (warstwy ścieralnej) drogi wojewódzkiej nr 434 na odcinku Śrem-Rawicz Wykonawca przebudowy drogi zwrócił się do Katedry Inżynierii Drogowej Politechniki Gdańskiej o ustalenie mechanizmu i przyczyn zniszczenia nawierzchni. W ramach prowadzonych prac wykonano analizę następujących zagadnień: 1. Ocena zgodności prac z projektem i dokumentacją kontraktu. 2. Ocena stabilności wbudowanej...
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Low energy elastic scattering of electrons from hexafluoropropene (C3F6)
PublikacjaWe present cross sections from a joint experimental and theoretical study on elastic electron scattering from hexafluoropropene (C3F6) in the gas phase. The experimental results, using low energy electron spectroscopy, were obtained at incident electron energies of 0.5, 1, 1.5, 2, 3, 4, 5, 6, 10, 12, 15 and 20 eV, for scattering angles ranging from 10°to 130°. The theoretical method used in the computation of the integral, momentum...
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Diaryl Sulfide Derivatives as Potential Iron Corrosion Inhibitors: A Computational Study
PublikacjaThe present work aimed to assess six diaryl sulfide derivatives as potential corrosion inhibitors. These derivatives were compared with dapsone (4,4′-diaminodiphenyl sulfone), a common leprosy antibiotic that has been shown to resist the corrosion of mild steel in acidic media with a corrosion efficiency exceeding 90%. Since all the studied compounds possess a common molecular backbone (diphenyl sulfide), dapsone was taken as the...
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Optymalizacja eksperymentu identyfikującego modele procesów biomedycznych
Publikacjaksiążka przedstawia wybrane metody modelowania procesów w systemach biomedycznych oraz metody optymalnej identyfikacji modeli. w rozdziale 2 zaprezentowano metodykę modelowania kinetyki substancji. omówiono kompartmentowe modelowanie struktury wewnętrznej systemu oparte na koncepcji zmiennych stanu. w rozdziale 3 przedstawiono zagadnienie optymalizacji eksperymentu biomedycznego ze szczególnym uwzględnieniem optymalizacji sygnału...
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Manifestation of Intermolecular Interactions in the IR Spectra of 2- and 4-Methylmethcathinones Hydrochlorides: DFT Study and Hirshfeld Surfaces Analysis
PublikacjaThis paper reports a Hirshfeld surfaces analysis of crystalline 2- and 4-methylmethcathinone (2-MMC and 4-MMC) hydrochlorides to analyze NH∙Cl and CH∙∙∙Cl intermolecular interactions and approve the formation of the NН2+–Cl– salt fragment in both 2-MMC∙HCl and 4-MMC∙HCl crystals. Two isomeric dimers were separated from the corresponding crystal packing to model IR spectra of the crystalline 2-MMC∙HCl...
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Superconductivity in a breathing kagome metals ROs2 (R = Sc, Y, Lu)
PublikacjaWe have successfully synthesized three osmium-based hexagonal Laves compounds ROs2 (R = Sc, Y, Lu), and discussed their physical properties. LeBail refinement of pXRD data confirms that all compounds crystallize in the hexagonal centrosymmetric MgZn2- type structure (P63/mmc, No. 194). The refined lattice parameters are a = b = 5.1791(1) Å and c = 8.4841(2) Å for ScOs2, a = b = 5.2571(3) Å and c = 8.6613(2) Å for LuOs2 and a =...
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The Mechanism of a Retro-Diels–Alder Fragmentation of Luteolin: Theoretical Studies Supported by Electrospray Ionization Tandem Mass Spectrometry Results
PublikacjaThe mechanisms of retro-Diels–Alder fragmentation of luteolin are studied theoretically using the Density Functional Theory method (B3LYP hybrid functional) together with the 6-311++G(d,p) basis set and supported by electrospray ionization tandem mass spectrometry (ESI-MS) results. The reaction paths leading to the formation of 1,3A and 1,3B fragment ions observed as the main spectral features in the ESI-MS spectrum are described...
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Role for chitin and chitooligomers in the capsular architecture of Cryptococcus neoformans
PublikacjaW pracy opisano wyniki badań nad rolą struktur zawierających N-acetylo-D-glukozaminę (GlcNAc) w tworzeniu kapsuły otaczającej komórki patogennych dla człowieka grzybów Cryptococcus neoformans. Ekspresja w warunkach in vivo chitooligomerów łączących polisacharydy kapsuły ze ścianą komórkową jest różna, w zależności od rodzaju zainfekowanej tkanki, co określono poprzez wykazanie różnej reaktywności komórek form drożdżowych C. neoformans...
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New, fast and cheap prediction tests for BRCA1 gene mutations identification in clinical samples.
PublikacjaDespite significant progress in cancer therapy, cancer is still the second cause of mortality in the world. The necessity to make quick therapeutic decisions forces the development of procedures allowing to obtain a reliable result in a quick and unambiguous manner. Currently, detecting predictive mutations, including BRCA1, is the basis for effectively treating advanced breast cancer. Here, we present new insight on gene mutation...
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Development of Biocompatible Fe3O4@SiO2 Nanoparticles as Subcellular Delivery Platform for Glucosamine-6-phosphate Synthase Inhibitors
PublikacjaNumerous inhibitors of glucoseamine-6-phophate synthase (GlcN-6-P), the enzyme responsible from catalysis of the first step of metabolic pathway leading to metabolism 5’-diphospho-N-acetyl-D- glucosamine, were reported as effective agents for inhibiting the growth of various fungal pathogens. Among the reported inhibitors,...
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Intramolecular Proton Transfer in the Radical Anion of Cytidine Monophosphate Sheds Light on the Sensitivities of Dry vs Wet DNA to Electron Attachment-Induced Damage
PublikacjaSingle-strand breaks (SSBs) induced via electron attachment were previously observed in dry DNA under ultrahigh vacuum (UHV), while hydrated electrons were found not able to induce this DNA damage in an aqueous solution. To explain these findings, crossed electron-molecular beam (CEMB) and anion photoelectron spectroscopy (aPES) experiments coupled to density functional theory (DFT) modeling were used to demonstrate the fundamental...
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Novel Research on Biomedical Polyurethanes
PublikacjaThe variety of mechanical properties characterizes properly designed PURs. They may be biocompatible and reveal compatibility with blood, making them attractive materials for the fabrication of tissue scaffolds; however, like all synthetic materials, PURs don’t reveal sufficient biocompatibility. PURs may undergo certain chemical modifications (e.g., 1,4:3,6-dianhydro-D-sorbitol, ascorbic acid (AA), growth factors, covering with...
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Methane emissions from mangrove soils in hydrologically disturbed and reference mangrove tidal creeks in southwest Florida
PublikacjaStudies have suggested that some mangrove soils might contribute to wetland methane (CH4) production and emissions, especially when the mangroves are disturbed. CH4 emissions were measured seasonally from nine locations on two mangrove creeks on Naples Bay in southwest Florida, USA. One of the tidal creeks has been impacted in the past few decades with alteration of upstream watersheds and freshwater inflows; the other creek was...
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OECD Guidelines for Micro Statistics on Household Wealth
PublikacjaThis report reflects the contributions of members of the OECD Expert Group on Micro Statistics on Household Income, Consumption and Wealth. Members of the Expert Group included representatives from National Statistical Offices – Bob McColl (Chair, Australia); Alison Hale (Canada); Andre Bustamante and David Niculcar (Chile); Henrik Sejerbo Soerensen (Denmark); Yafit Alfandari (Israel); Shinji Yoshioka (Japan); Sinho Kim...
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Guided wave propagation in structures. Modelling, experimental studies and application to damage detection
PublikacjaCelem niniejszej pracy są eksperymentalne i numeryczne analizy propagacji prowadzonych fal sprężystych w stalowych konstrukcjach prętowych, belkowych, ramowych, tarczowych i płytowych. W szczególności praca poświęcona jest: (a) modelowaniu propagacji fal z uwzględnieniem zjawiska dyspersji; (b) budowie modeli obliczeniowych w formalizmie metody elementów spektralnych; (c) eksperymentalnej weryfikacji zaproponowanych modeli; (d)...