Search results for: INHIBITORY SYNTAZY GLCN-6-P
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Partial characterization of indigo (Polygonum tinctorium Ait.) plant seeds and leaves
PublicationThe aim of this study was to assess the contents of indigo's bioactive compounds, its antioxidant and anticancer activities in acetone, hexane and DMSO extracts and to compare the overall bioactivity with another more used medicinal plant named prolipid. It was found that the contents of the bioactive compounds in the studied extracts from different parts of indigo plant varied (P < 0.05): the significantly highest content of polyphenols...
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Wybrane zagadnienia przepływów ciepła
PublicationSkrypt poświęcony jest omówieniu procesów przewodzenia, konwekcji i promieniowania czyli trzech mechanizmów przepływu ciepła. W rozdziale 1 wprowadzone zostały podstawowe pojęcia oraz definicje kluczowych wielkości fizycznych i zależności pomiędzy nimi. Rozdział 2 zawiera opis wyprowadzenia równania przewodzenia ciepła wraz z przedstawieniem warunków brzegowych i początkowych. Rozdział 3 prezentuje przegląd wybranych zagadnień...
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Imunofan—RDKVYR Peptide—Stimulates Skin Cell Proliferation and Promotes Tissue Repair
PublicationRegeneration and wound healing are vital to tissue homeostasis and organism survival. One of the biggest challenges of today’s science and medicine is finding methods and factors to stimulate these processes in the human body. Effective solutions to promote regenerative responses will accelerate advances in tissue engineering, regenerative medicine, transplantology, and a number of other clinical specialties. In this study, we...
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Efficient and robust quadratures for isogeometric analysis: Reduced Gauss and Gauss–Greville rules
PublicationThis work proposes two efficient quadrature rules, reduced Gauss quadrature and Gauss–Greville quadrature, for isogeometric analysis. The rules are constructed to exactly integrate one-dimensional B-spline basis functions of degree p, and continuity class C^{p−k}, where k is the highest order of derivatives appearing in the Galerkin formulation of the problem under consideration. This is the same idea we utilized in Zou et al....
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Cross-linking of sodium caseinate-structured emulsion with transglutaminase alters postprandial metabolic and appetite responses in healthy young individuals
PublicationThe physico-chemical and interfacial properties of fat emulsions influence lipid digestion and may affect postprandial responses. The aim of the present study was to determine the effects of the modification of the interfacial layer of a fat emulsion by cross-linking on postprandial metabolic and appetite responses. A total of fifteen healthy individuals (26·5 (sem 6·9) years and BMI 21·9 (sem 2·0) kg/m2) participated in a cross-over...
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Cytokine IL6, but not IL-1β, TNF-α and NF-κB is increased in paediatric cancer patients
PublicationCytokines are responsible for maintaining homeostasis as cell growth, differentiation, migration and apoptosis mediators. They play a pivotal role in immune responses to inflammatory reactions. In oncological diseases, the cross-talk between cells of the immunological system and cells of the tumour microenvironment is led by cytokines. Also, the overproduction of cytokines may change the tumour microenvironment and stimulate tumour...
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Evaluation of the yield, chemical composition and biological properties of essential oil from bioreactor-grown cultures of Salvia apiana microshoots
PublicationMicroshoot cultures of the North American endemic Salvia apiana were established for the first time and evaluated for essential oil production. Stationary cultures, grown on Schenk-Hildebrandt (SH) medium, supplemented with 0.22 mg/L thidiazuron (TDZ), 2.0 mg/L 6-benzylaminopurine and 3.0% (w/v) sucrose, accumulated 1.27% (v/m dry weight) essential oil, consisting mostly of 1,8-cineole, β-pinene, α-pinene, β-myrcene and camphor....
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Lower rim substituted p-tert-butylcalix[4]arene; Part 14. Synthesis, structures and binding studies of calix[4]arene thioamides
PublicationA number of p-tert-butylcalix[4]arene thioamides were synthesized and characterized by 1H-NMR and elemental analysis. Compounds 1-5 are O-substituted derivatives with -CH2-C(=S)-N-X groups, where NX = morpholidyl, NEt2, NHC2H4Ph, NHCH2Ph and NHEt,respectively. The X-ray structures of the ligands 1, 3, 5 and of the complex 3Pb(ClO4)2, (compound 6), are presented and their slightly distorted cone conformation is established. The...
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Adipokine and cytokine levels in patients with adrenocortical cancer, subclinical Cushing's syndrome and healthy controls
PublicationIntroduction In recent years researchers have focused at hormonal activity in Cushing’s syndrome (CS) in connection with metabolic disorders and the role of adipokines and cytokines secreted by the adipose tissue. The aim of the study was to investigate levels of adipokines and cytokines in patients with: subclinical CS (SCS) – in relation to hormonal parameters of hypercortisolemia, and, adrenocortical cancer (ACC). Materials...
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Products of Photo- and Thermochemical Rearrangement of 19-Membered di-tert-Butyl-Azoxybenzocrown
PublicationThe preparation and characterization of products of the photochemical and thermochemical rearrangements of 19-membered azoxybenzocrowns with two, bulky, tert-butyl substituents in benzene rings in the para positions to oligooxyethylene fragments (meta positions to azoxy group, i.e., t-Bu-19-Azo-O have been presented. In photochemical rearrangement, two colored typical products were expected, i.e., 19-membered o-hydroxy-m,m′-di-tert-butyl-azobenzocrown...
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Nonlinear Properties of Seawater as a Factor Determining Nonlinear Wave Propagation
PublicationTaking practical advantage of nonlinear acoustical interactions occurring in seawater [1, 2] requires knowledge of the parameter of nonlinearity B=A of this medium. The literature does not offer much reports on B=A parameter value for seawater. In the few papers concerning that address the issue, results concerning ocean waters with high salinity and at large depths are given [3], while studies concerning seawater with low salinity...
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Impact of the Alkyl Side Chains of Cations and Anions on the Activity and Renaturation of Lysozyme: A Systematic Study Performed Using Six Amino‐Acid‐Based Ionic Liquids
PublicationThe impact of the structure of ionic liquid on the activity and renaturation of lysozyme from the hen egg white (HEWL) was investigated. A set of six ionic liquids based on morpholinium cation and N-acylated amino acids as anions were exploited. The matrix used was based on two homologous series: one with N-acetyl-L-valinate [Val] as a common anion and morpholinium cation with a different number of...
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Galerkin formulations of isogeometric shell analysis: Alleviating locking with Greville quadratures and higher-order elements
PublicationWe propose new quadrature schemes that asymptotically require only four in-plane points for Reissner–Mindlin shell elements and nine in-plane points for Kirchhoff–Love shell elements in B-spline and NURBS-based isogeometric shell analysis, independent of the polynomial degree p of the elements. The quadrature points are Greville abscissae associated with pth-order B-spline basis functions whose continuities depend on the specific...
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The cytokine profile of mature milk from smoking and non-smoking mothers
PublicationZweryfikowano wpływ palenia kobiet na poziom cytokin (IL-1α, IL-1β, IL-6, IL-8, IL-10 i TNF-α) w mleku ludzkim w 30-32 dni po porodzie. Badana grupa składała się z 24 kobiet po porodzie, które deklarowały palenie więcej niż pięciu papierosów dziennie. Grupę kontrolną stanowiło 45 niepalących kobiet. W porównaniu do kobiet niepalących w mleku kobiet palących stwierdzono znacznie wyższe stężenia cytokiny IL-1α (P = 0,04). Nie stwierdzono...
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Structural and mechanical properties of hydroxyapatite coatings formed by ion-beam assisted deposition
PublicationThe ion-beam assisted deposition (IBAD) is an advanced method capable of producing crystalline coatings at low temperatures. We determined the characteristics of hydroxyapatite Ca10(PO4)6(OH)2 target and coatings formed by IBAD using X-ray photoemission spectroscopy (XPS), X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM) and energy dispersive X-ray (EDX). The composition of the coatings'...
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Actions of a nitric oxide donor on prostaglandin production and angiogenic activity in the equine endometrium
PublicationNitric oxide (NO) plays an important role in prostaglandin secretion and angiogenesis in the reproductive system. In the present study, the roles of the NO donor spermine NONOate and tumour necrosis factor-alpha (TNF; as a positive control) in prostaglandin production and angiogenic activity of equine endometria during the oestrous cycle were evaluated. In addition, the correlation between NO production...
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An investigation on the chemistry of the R2P=P ligand: reactions of a phosphanylphosphinidene complex of tungsten(VI) with electrophilic reagents
PublicationThe nucleophilic properties of the title compound [(2,6-i-Pr2C6H3N)2(Cl)W(η2-t-Bu2PvP)]Li·3DME (1) were investigated in reactions with selected electrophilic reagents such as MeI, M(CO)5THF (M = Cr, Mo, W), AlCl3, and GaCl3. Methylation of 1 by MeI yields phosphanylphosphido complexes [(2,6-i-Pr2C6H3N)2W(X)(1,2-η-t-Bu2PvP–CH3)] (X = Cl, I) (2-Cl/2-I) with the formation of a new P–C bond. Moreover, 1 reacts with electrophilic compounds...
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Neurotrophic factors in human milk in early lactation and the effect of Holder and microwave pasteurization on their concentrations
PublicationObjective: The objective of this study was to determine the level of brain-derived neurotrophic factor (BDNF) and glial cell line-derived neurotrophic factor (GDNF) in human milk in the first two weeks of breastfeeding and compare of the effects of Holder pasteurization (HoP, 62.5°C, 30 minutes) and microwave pasteurization (MP) at constant temperature (62.5°C) on the concentraion of both neurotrophic factors (NFs). Methods: Concentration...
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Spectroscopic and cytotoxic characteristics of (p-cymene)Ru(II) complexes with bidentate coumarins and density functional theory comparison with selected Pd(II) complexes
PublicationThis paper presents the synthesis of two new (p-cymene)-ruthenium(II) complexes with the bidentate coumarin ligands. Both complexes were characterized by FTIR spectroscopy, 1H NMR, 13C NMR, MS, elemental analysis and DFT calculations. The X-ray structure of complex 3a was also solved. The cytotoxic properties of both complexes were examined on human leukemia NALM-6 and HL-60 cells and melanoma WM-115 cells. The complexes possess...
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Virtual immersive environments
PublicationYet a higher level of active systems may be achieved when users are fully immersed in an interface which is a 3D computer generated virtual world and can interact with surrounding objects of that world as they were in a real one. This is the issue covered by Chapter 7. Interaction in such a world is both multidimensional and multimodal, with the possibility of free movement of the user in any direction and the simultaneous stimulation...
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Intermetallic disordered magnet Gd2Pt1.1Ge2.9 and its relation to other AlB2 -type compounds
PublicationThe intermetallic germanide Gd 2 Pt 1.1 Ge 2.9 was synthesized using an arc-melting method. The crystal structure was characterized using powder x-ray diffraction, revealing a disordered ternary AlB 2 -type structure (space group P 6 / m m m , No. 191) with lattice parameters a = 4.2092 ( 1 ) Å and c = 4.0546 ( 2 ) Å . Physical properties were investigated by magnetic susceptibility and heat capacity measurements, which...
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Experimental and predicted physicochemical properties of monopropanolamine-based deep eutectic solvents
PublicationIn this work, the novel deep eutectic solvents (DESs) based on 3-amino-1-propanol (AP) as hydrogen bond donor (HBD) and tetrabutylammonium bromide (TBAB) or tetrabutylammonium chloride (TBAC) or tetraethylammonium chloride (TEAC) as hydrogen bond acceptors (HBAs) were synthesized with different molar ratios of 1: 4, 1: 6 and 1: 8 salt to AP. Fourier Transform Infrared Spectroscopy measurements were performed to provide an evidence...
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Witold Parteka Dr
PeopleWykształcenie: Uniwersytet Gdański - Wydział Filologiczno-Historyczny – kierunek historia specjalność nauczycielska – dyplom (20 czerwiec 1997) – mgr historii Akademia Pomorska w Słupsku Wydział Filologiczno-Historyczny, Instytut Historii –– 21 październik 2009 - dr nauk humanistycznych w zakresie historii. Temat doktoratu: Szkolnictwo oficerskie Polskiej Marynarki Handlowej w latach 1945-1968 Zainteresowania badawcze: historia...
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Urinary Tract Infections of Escherichia coli Strains of Chaperone-Usher System
PublicationZakażenia dróg moczowych stanowią bardzo poważny problem zdrowotny i ekonomiczny dotyczący milionów ludzi, każdego roku na całym świecie. Najbardziej rozpowszechnionym czynnikiem etiologicznym tego typu infekcji bakteryjnych, obejmujących górne i dolne drogi moczowe, są szczepy E. coli, reprezentujące około 80% przypadków. Uropatogenne szczepy E. coli produkują kilka czynników urowirulentncyh, które można podzielić na dwa główne...
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L1 Cell Adhesion Molecule Overexpression Down Regulates Phosphacan and Up Regulates Structural Plasticity-Related Genes Rostral and Caudal to the Complete Spinal Cord Transection
PublicationL1 cell adhesion molecule (L1CAM) supports spinal cord cellular milieu after contusion and compression lesions, contributing to neuroprotection, promoting axonal outgrowth, and reducing outgrowth-inhibitory molecules in lesion proximity. We extended investigations into L1CAM molecular targets and explored long-distance effects of L1CAM rostral and caudal to complete spinal cord transection (SCT) in...
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Leukemia and risk of recurrent Escherichia coli bacteremia: genotyping implicates E. coli translocation from the colon to the bloodstream.
PublicationIn patients with leukemia, the portal(s) and reasons for the persistence of an Escherichia coli recurrent bacteremia remain unclear. Adult Hematology Clinic (AHC) databases at the State Clinical Hospital in Gdańsk were reviewed to evaluate the frequency of E. coli bacteremia between 2002 and 2005. Blood and bowel E. coli strains were obtained and the genetic relatedness of the strains was analyzed. The rate of E. coli bacteremia...
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Zastosowanie geosyntetyków przy wzmocnieniu podłoża pod nawierzchnie drogowe
PublicationZastosowanie geosyntetyków przy wzmocnieniu podłoża pod nawierzchnie drogoweThe use of geosynthetics in the reinforcement of subsoil for road surfaces
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Theoretical study of the structure, energetics and vibrational frequencies of water-acetone and water-2-butanone complexes
PublicationKompleksy acetonu i 2-butanonu z 0-2 cząsteczkami wody połączonymi wiązaniem wodorowym z tlenem karbonylowym zbadano z wykorzystaniem teorii funkcjonału gęstości (DFT) na poziomie B3LYP/6-311++G(d,p). Obliczenia w fazie gazowej uzupełniono o optymalizacje w otoczeniu rozpuszczalnika, symulowanego za pomocą modelu polaryzowalnego kontinuum (PCM). Częstości drgań oscylacyjnych otrzymane na podstawie zależności empirycznej sa zgodne...
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Lower rim substituted tert-butyl calix[4]arene (part VII): ionophoric properties of calix[4]arene-crown-6 derivatives in plasticized PVC-membrane electrodes and in solution.
PublicationW pracy przedstawiono syntezę i charakterystykę otrzymanych produktów (2-9), pochodnych p-tert-butylokaliks[4]-korony-6. Zdolności kompleksujące tych związków badano w elektrodach jonoselektywnych, stosując te związki jako jonofory w plastyfikowanej membranie PCW.Wyznaczono wartości stałych trwałości kompleksów z jonami metali I grupy. Stwierdzono, że selektywność kompleksowania zależy od rozmiaru i natury podstawnika wprowadzonego...
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Uniform expansion estimates in the quadratic map as a function of the partition size, using Johnson’s algorithm
Open Research DataThis dataset contains selected results of numerical computations described in the paper "Quantitative hyperbolicity estimates in one-dimensional dynamics" by S. Day, H. Kokubu, S. Luzzatto, K. Mischaikow, H. Oka, P. Pilarczyk, published in Nonlinearity, Vol. 21, No. 9 (2008), 1967-1987, doi: 10.1088/0951-7715/21/9/002.
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Uniform expansion estimates in the quadratic map as a function of the partition size, using the Floyd–Warshall algorithm
Open Research DataThis dataset contains selected results of numerical computations described in the paper "Quantitative hyperbolicity estimates in one-dimensional dynamics" by S. Day, H. Kokubu, S. Luzzatto, K. Mischaikow, H. Oka, P. Pilarczyk, published in Nonlinearity, Vol. 21, No. 9 (2008), 1967-1987, doi: 10.1088/0951-7715/21/9/002.
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Fuzyjne polimerazy DNA – otrzymywanie, charakterystyka i zastosowanie
PublicationObecnie reakcje PCR (ang. Polymerase Chain Reaction) wykazują bardzo szerokie zastosowanie w diagnostyce medycznej, biologii molekularnej czy inżynierii genetycznej. Efektywność tych reakcji rozumiana jako wydajność i wierność przeprowadzonej amplifikacji jest nieodłącznie związana ze stosowaną polimerazą DNA i warunkami prowadzenia reakcji PCR. Aby sprostać wymaganiom stawianym przez nowoczesne metody diagnostyczne oraz współczesną...
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THREE-DIMENSIONAL numerical investigation of MHD nanofluid convective heat transfer inside a CUBIC porous container with corrugated bottom wall
PublicationSimultaneous use of porous media and nanofluid as a heat transfer improvement method has recently captivated a great deal of attention. The heat transfer and entropy production of the Cu-water nanofluid inside a cubic container with a heated bottom wavy wall and an elliptic inner cylinder were numerically analyzed in this study. The container is partitioned into two sections: the left side is filled with permeable media and...
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Materiały do poznania ważek (Odonata) Pojezierza Litewskiego (Polska północno-wschodnia), ze szczególnym uwzględnieniem Suwalskiego Parku Krajobrazowego, zebrane przy okazji XIX Sympozjum Sekcji Odonatologicznej Polskiego Towarzystwa Entomologicznego w 2023 r.
PublicationFrom 6-9 July 2023, the participants of the 19th Symposium of the Odonatological Section of the Polish Entomological Society carried out fieldwork on the dragonflies in and around the Suwałki Landscape Park (SPK) (NE Poland). The symposium was preceded by a field reconnaissance (8-10 June). The results of this fieldwork, which yielded 45 species at 22 sites, are presented and discussed. Three species...
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Psychometric assessment of the Internet Gaming Disorder diagnostic criteria: An Item Response Theory study
PublicationInternet Gaming Disorder (IGD) has been recognized by the American Psychiatric Association (APA) as a tentative disorder in the latest fifth revision of the Diagnostic and Statistical Manual of Mental Disorders (DSM-5). In order to advance research on IGD, the APA has suggested that further research on the nine IGD criteria to investigate its clinical and empirical feasibility is necessary. The aim of the present study was to...
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Chemical investigation on the mechanism and kinetics of the atmospheric degradation reaction of Trichlorofluoroethene by OH⋅ and Its subsequent fate in the presence of O2/NOx
PublicationThe M06-2X/6-311++G(d,p) level of theory was used to examine the degradation of Trichlorofluoroethene (TCFE) initiated by OH⋅ radicals. Additionally, the coupled-cluster single-double with triple perturbative [CCSD(T)] method was employed to refine the single-point energies using the complete basis set extrapolation approach. The results indicated that OH-addition is the dominant pathway. OH⋅ adds to both the C1 and C2 carbons,...
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Electronic structure of PrBa2Cu3O7 after high-pressure compressionfrom first principles
PublicationW pracy zbadano wpływ ściskania wysokociśnieniowego (P=9GPa) na elektronową strukturę pasmową, rozkład ładunku i momenty magnetyczne w pełni utlenionego stechiometrycznego układu PrBa2Cu3O7. Zaobserwowano następujące zmiany wywołane ściskaniem: (1) zmniejszoną gęstość stanów (DOS) na poziomie Fermiego Ef, (2) zwiększona różnicę pomiędzy wartościami DOS dla stanów "spin-up" i "spin-down" w najbliższym otoczeniu Ef, (3) zmniejszone...
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Theoretical calculation of pKas of phosphoric (V) acidin the polarisable continuum and cluster-continuum models
PublicationW pracy oceniono dokładność modelu polaryzowalnego kontinuum (PCM) i mieszanego modelu klaster-kontinuum do przewidywania wartości trzech kolejnych stałych dysocjacji kwasu fosforowego (V). Obliczenia PCM na poziomie MP2/6-31+G(d,p) odtwarzają wartość pierwszego pKa z rozsądną niepewnością, jednak wartości kolejnych pKa obarczone są bardzo dużym błędem, nawet po podniesieniu poziomu teorii do metody zespolonej G3B3. Dopiero obliczenia...
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Ionophores in polymeric membranes for selective ion recognition:impedance studies
PublicationW pracy badano dwa typy elektrod: membranowe elektrody jonoselektywne (ISE) oraz elektrody nowego typu all-solid-state (AAS). Elektrody AAS zawierają przewodzącą warstwę polimerową na węglu szklistym lub platynie, na który nałożona jest membrana zawierająca jonofor. Do badań użyto dwa jonofory: p-tert-butylokaliks[4]aren-korona-4 (L1) selektywnie kompleksująca jony Na+ oraz kaliks[4]aren-korona-6 (L2) selektywnie kompleksująca...
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5-Thiocyanato-2′-deoxyuridine as a possible radiosensitizer: electron-induced formation of uracil-C5-thiyl radical and its dimerization
PublicationIn this work, we have synthesized 5-thiocyanato-2′-deoxyuridine (SCNdU) along with the C6-deuterated nucleobase 5-thiocyanatouracil (6-D-SCNU) and studied their reactions with radiation-produced electrons. ESR spectra in γ-irradiated nitrogen-saturated frozen homogeneous solutions (7.5 M LiCl in H2O or D2O) of these compounds show that electron-induced S–CN bond cleavage occurs to form a thiyl radical (dU-5-S˙ or 6-D-U-5-S˙) and...
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Uptake, accumulation, and translocation of Zn, Cu, Pb, Cd, Ni, and Cr by P. australis seedlings in an urban dredged sediment mesocosm: impact of seedling origin and initial trace metal content
PublicationThe study presents results from 6 months of phytoremediation of sediments dredged from three urban retention tanks carried out in a mesocosm setup with the use of P. australis. Two kinds of P. australis seedlings were considered: seedlings originating from natural (uncontaminated - Suncont) and anthropogenically changed environments (contaminated – Scont); this distinction was reflected in the baseline concentrations of trace metals...
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SYNAT_MUSIC_GENRE_FV_173
Open Research DataThis is the original dataset containing 51582 music tracks (22 music genres) and 173 element-feature vector [1-6,9]. A collection of more than 50000 music excerpts described with a set of descriptors obtained through the analysis of 30-second mp3 recordings was gathered in a database called SYNAT. The SYNAT database was realized by the Gdansk University...
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Pełnienie nadzoru naukowego nad naprawą po awarii i dalszą budową konstrukcji mostu M-78. Ekspertyza techniczna
PublicationCelem opracowania jest szczegółowa analiza mostu M-78 wykonywanego w ramach zadania „Projekt i budowa drogi ekspresowej S-6 na odcinku od węzła „Kołobrzeg Zachód" /bez węzła/ węzeł „Ustronie Morskie" /z węzłem/ oraz „Budowa obwodnicy m. Kołobrzeg w ciągu drogi krajowej nr 11” ”. Opracowanie w sposób szczegółowy przedstawia prace zrealizowane na potrzeby wydanych opinii technicznych w trakcie realizacji mostu. Zakres opracowania...
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DMSO and TMAO—Differences in Interactions in Aqueous Solutions of the K-Peptide
PublicationInteractions 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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SYNAT Music Genre Parameters PCA 19
Open Research DataThe dataset contains feature vector after Principal Component Analysis (PCA) performing, so there are 11 music genres and 19-element vector derived from music excerpts. Originally, a feature vector containing 173 elements was conceived in earlier research studies carried out by the team of authors [1-6]. A collection of 52532 music excerpts described...
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SYNAT_PCA_48
Open Research DataThere is a series of datasets containing feature vectors derived from music tracks. The dataset contains 51582 music tracks (22 music genres) and feature vector after Principal Component Analysis (PCA) performing, so there are 48-element vectors derived from music excerpts. Originally, a feature vector containing 173 elements was conceived in earlier...
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SYNAT_PCA_11
Open Research DataThe dataset contains 51582 music tracks (22 music genres) and feature vector after Principal Component Analysis (PCA) performing, so there are 11-element vectors derived from music excerpts. Originally, a feature vector containing 173 elements was conceived in earlier research studies carried out by the team of authors [1-6]. A collection of more than...
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Elucidation of chemical compounds in different extracts of two Lavandula taxa and their biological potentials: Walking with versatile agents on the road from nature to functional applications
PublicationDue to their health-promoting and nutraceutical properties, lavenders are frequently employed in the food and pharmaceutical industries. Here, we focused on investigate the chemical profile of hexane, MeOH, and water extracts of leaf, flower, and root of L. pedunculata and L. stoechas and to assess their antioxidant, enzyme inhibitory, and antibacterial properties. The highest total polyphenolic and flavonoids contents were recorded...
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Color prediction from first principle quantum chemistry computations: a case of alizarin dissolved in methanol
PublicationThe 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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Studies on the charge density distribution in p-substituted phenylnitrenium cation
PublicationAniline and its derivatives are known to be mutagenic. This activity is caused by the formation of phenylnitrenium cations during aniline oxidation. Reactivity of the positively charged chemical species can be measured by means of s+ substituent constant. In this paper charge density distribution in p-substituted nitrenium cations and reactivity indices such as, hardness η, electronegativity χ , and electrophilicily ω were analyzed....