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Search results for: 2-D]THIOPHENE
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Role of Vitamin D in schizophrenia in elderly patient
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The supramolecular organization of self-assembling chlorosomal bacteriochlorophyll c, d, or e mimics
PublicationBacteriochlorophylls (BChls) c, d, and e are the main light-harvesting pigments of green photosynthetic bacteria that self-assemble into nanostructures within the chlorosomes forming the most efficient antennas of photosynthetic organisms. All previous models of the chlorosomal antennae, which are quite controversially discussed because no single crystals could be grown so far from these organelles, involve a strong hydrogen-bonding...
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Topochemical, Single‐Crystal‐to‐Single‐Crystal [2+2] Photocycloadditions Driven by Chalcogen‐Bonding Interactions
PublicationThe face-to-face association of (E)-1,2-di(4-pyridyl)ethylene (bpen) molecules into rectangular motifs stabilized for the first time by chalcogen bonding (ChB) interactions is shown to provide photoreactive systems leading to cyclobutane formation through single-crystal-to-single-crystal [2+2] photodimerizations. The chelating chalcogen bond donors are based on original aromatic, ortho-substituted bis(selenocyanato)benzene derivatives...
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Volumetric and acoustic properties of D-mannitol in aqueous sodium or magnesium(II) chloride solutions over temperature range of 293.15 to 313.15 K
PublicationWykorzystując zmierzone wartości gęstości oraz prędkości rozchodzenia się dźwięku wyznaczono pozorne objętości molowe i pozorne ściśliwości molowe D- mannitolu w (1, 5 i 10) % wodnych roztworach chlorku sodu oraz chlorku magnezu(II). Obliczono graniczne wartości pozornych wielkości molowych, odpowiednie funkcje przeniesienia oraz współczynniki rozszerzalności. Otrzymane wielkości powiązano z oddziaływaniami D-mannitol -sól (NaCl...
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The significance of VEGF-C/VEGFR-2 interaction in the neovascularization and prognosis of nephroblastoma (Wilms' tumour)
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A fault diagnosis method for analog parts of embedded systems based on time response and identification curves in the 3-D space
PublicationPrzedstawiono nową wersję 3-D nowej metody diagnostycznej części analogowych w mieszanych sygnałowo systemach wbudowanych bazujących na mikrokontrolerach. Bazuje ona na krzywych identyfikacyjnych w przestrzeni 3-D i pomiarze próbek napięcia odpowiedzi układu badanego na pobudzenie impulsem prostokątnym. Zalety metody: pomiary są wykonywane wyłącznie za pomocą urządzeń peryferyjnych popularnych mikrokontrolerów, procedura diagnostyczna...
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In silico assessment and sonochemical synthesis of 2-alkynyl 3-chloropyrazines as prospective ligands for SARS-CoV-2
PublicationThe recent global pandemic caused by COVID-19 has triggered an intense effort worldwide towards the development of an effective cure for this disease. In our effort we have explored the 2-alkynyl substituted 3-chloropyrazine framework as a potential template for the design of molecules for this purpose. Our strategy was supported by the in silico studies of representative compounds to assess their binding affinities via docking...
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Scattering of electrons from 1-butene, H2C=CHCH2CH3, and 2-methylpropene,H2C=C(CH3)2, molecules
PublicationZmierzono, wykorzystując liniową technikę transmisyjną, całkowite absolutne przekroje czynne (TCS) na rozpraszanie elektronów na cząsteczce 1-butenu (H2C=CHCH2CH3) oraz 2-metylpropene (H2C=C(CH3)2) w zakresie energii padających elektronów, od 1 do 400 eV oraz od 1 do 350 eV. Kształt przekroju czynnego dla obu badanych izomerów butenu jest podobny. Dwie struktury w uzyskanych krzywych TCS, są wyraźnie widoczne: mały pik w okolicy...
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Intrinsic and extrinsic factors in anion electron -stimulated desorption: D- from deuterated hydrocarbons condensed on Kr and water ice films.
PublicationPrzedstawiono wynik desorpcji anionów D indukowanej zderzeniami elektronów ze skondensowanymi drobinami CD4, C2D6, C3D8,C2D4 i C2D2. Cienkie warstwy badanych drobin skondensowano na powierzchniach innych warstw atomowych i molekularnych (krypton porowaty i nieporowaty amorficzny lód) zestalony na powierzchni platyny. Zaobserwowano znaczące zaburzenia desorpcji anionów D poprzez obecność innych kondensatów. Zaproponowano oraz przedyskutowano...
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Measurements of photoionization of mercury atoms into the 6s 2S1/2, 5d96s2 2D5/2 and 5d96s2 2D3/2 ionic states over the energy range from 10.5 eV to 18.7 eV
PublicationPhotoionization of mercury atoms into the three lowest ionic states, 5d106s 2S1/2, 5d96s2 2D5/2 and 5d96s2 2D3/2 has been studied in the photon energy ranges from their respective thresholds to 18.7 eV. The photoionization spectra were obtained with high energy resolution at an angle of 0° with respect to the polarization vector of the photon beam. The high energy resolution and sensitivity achieved in the measurements permitted...
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Novel 2-(2-alkylthiobenzenesulfonyl)-3-(phenylprop-2-ynylideneamino)guanidine derivatives as potent anticancer agents – Synthesis, molecular structure, QSAR studies and metabolic stability
PublicationA series of new 2-(2-alkylthiobenzenesulfonyl)-3-(phenylprop-2-ynylideneamino)guanidine derivatives have been synthesized and evaluated in vitro by MTT assays for their antiproliferative activity against cell lines of colon cancer HCT-116, cervical cancer HeLa and breast cancer MCF-7. The obtained results indicated that these compounds display prominent cytotoxic effect. The best anticancer properties have been observed for derivatives...
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3-D finite-difference time-domain modelling of ground penetrating radar for identification of rebars in complex reinforced concrete structures
PublicationThis paper presents numerical and experimental investigations to identify reinforcing bars using the ground penetrating radar (GPR) method. A novel element of the paper is the inspection of different arrangements of reinforcement bars. Two particular problems, i.e. detection of few adjacent transverse bars and detection of a longitudinal bar located over or under transverse reinforcement, have been raised. An attention was also...
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Multilevel model order reduction with generalized compression of boundaries for 3-d FEM electromagnetic analysis
PublicationThis paper presents a multilevel Model Order Reduction technique for a 3-D electromagnetic Finite Element Method analysis. The reduction process is carried out in a hierarchical way and involves several steps which are repeated at each level. This approach brings about versatility and allows one to efficiently analyze complex electromagnetic structures. In the proposed multilevel reduction the entire computational domain is covered...
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A New Expression for the 3-D Dyadic FDTD-Compatible Green's Function Based on Multidimensional Z-Transform
PublicationIn this letter, a new analytic expression for the time-domain discrete Green's function (DGF) is derived for the 3-D finite-difference time-domain (FDTD) grid. The derivation employs the multidimensional Z-transform and the impulse response of the discretized scalar wave equation (i.e., scalar DGF). The derived DGF expression involves elementary functions only and requires the implementation of a single function in the multiple-precision...
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Crystal Growth, Structure, and Magnetism of the 2D Spin 1/2 Triangular Lattice Material Rb3Yb(PO4)2
PublicationThe single-crystal growth, crystal structure, heat capacity, and anisotropic magnetization characterization of Rb3Yb- (PO4)2, a Yb-based triangular lattice material, are presented. Single-crystal X-ray diffraction shows that Rb3Yb(PO4)2 exhibits [Yb(PO4)]∞ layers, with the Yb in an ordered plane of equilateral triangles. One phosphate group oxygen that is not a near neighbor of the magnetic Yb displays positional disorder. The...
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Relationships between concentrations of selected organohalogen contaminants and thyroid hormones and vitamins A, E and D in Faroese pilot whales
PublicationPilot whales (Globicephala melas) from the Faroe Islands, North-East Atlantic, have high body concentrations of organohalogenated compounds (OHCs), such as polychlorinated biphenyls (PCBs), organochlorinated pesticides (OCPs) and brominated flame retardants (BFRs). The aim of the present study was to examine if and to what extent blood plasma and liver concentrations of several groups of these OHCs are related to concentrations...
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Bandwidth Dependence of the Propagation Channel in Circular Metallic BAN Environments
PublicationIn this paper, the bandwidth dependence of the propagation channel for Body Area Networks (BANs) in circular metallic environments is addressed and models are proposed to evaluate the appropriate short-term fading margins that should be considered as a function of the system bandwidth. The deployment of BANs in metallic indoor environments, such as ships, factories, warehouses and other similar environments, involves additional...
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New oryginal generic technologies: A Polish R&D strategic implementation programme
PublicationPolands's pharmaceutical industry is of great significance to the whole economy. According to Forbs (2 October 2012), the cost of launching a new drug varies from USD 1 to 11 bilion. There is little Chance of a Polish pharmaceutical company developing an original drug due to financial reason.Many research teams in Poland take up research projects aimed at new biologically active compounds. But such an objective has no broader perspective,...
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n-butyl 2-(3-chloro-1,2-dihydropyrazin-2-ylidene)-2-cyanoacetate
PublicationStrukturę C11H12ClN3O2 wyznaczono metodą rentgenowskiej analizy strukturalnej. Geometria i długości wiązań w pierścieniu pirazynowym są typowe dla tej klasy związków. Cała cząsteczka, poza ogonem n-butylowym, jest płaska (r.m.s. 0.0131(1)Å). Występujące intramolekularne wiązanie wodorowe N2-H2BO1 tworzy S(6) pierścień stabilizując całą cząsteczkę. W sieci krystalicznej obserwuje się nieuporządkowanie statyczne dla reszty...
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A new cold-adapted beta-D-galactosidase from the Antarctic Arthrobacter sp. 32c - gene cloning, overexpression, purification and properties
PublicationThe development of a new cold-active β-D-galactosidases and microorganisms that efficiently ferment lactose is of high biotechnological interest, particularly for lactose removal in milk and dairy products at low temperatures and for cheese whey bioremediation processes with simultaneous bio-ethanol production. In this article, we present a new β-D-galactosidase as a candidate to be applied in the above mentioned biotechnological...
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[N,N'-Bis(2,6-diisopropylphenyl)pentane-2,4-diamine(1-)-2[kappa]2N,N']-[mu]2-chlorido-1:2[kappa]2Cl:Cl-chlorido-2[kappa]Cl-bis(1,2-dimethoxyethane-1[kappa]2O,O')iron(II)lithium
PublicationIn the title compound, [FeLi(C29H41N2)Cl2(C4H10O2)2], theFeII atom is coordinated by two N and two Cl atoms,generating a distorted FeN2Cl2 tetrahedral geometry. Additionally,one of the chloride atoms bridges to a lithium ion,which is solvated by two dimethoxyethane molecules and iscoordinated in a distorted trigonal-bipyramidal environment.The central Fe, Cl (*2) and Li atoms are coplanar with amaximum deviation of 0.034 A ° .
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Designing efficient A-D-A1-D-A type fullerene free acceptor molecules with enhanced power conversion efficiency for solar cell applications
PublicationThe achievement of highly efficient power conversion efficiency (PCE) is a big concern for non-fullerene organic solar cells (NF-OSCs) because PCE can depend on numerous variables. Here, new five novel acceptor molecules without fullerenes were developed and investigated using DFT (density functional theory) and TD-DFT (time dependent-density functional theory). Compared to the recently synthesized molecule (PZ-dIDTC6), the developed...
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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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Study of impurities in alpha-Al 2 O 3 powders and crystals using EPR spectroscopy
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Synthesis of 3-(2-Alkylthio-4-chloro-5-methylbenzenesulfonyl)-2-(1-phenyl-3-arylprop-2-enylideneamino)guanidine Derivatives with Pro-Apoptotic Activity against Cancer Cells
PublicationThe untypical course of reaction between chalcones and benzenesulfonylaminoguanidines led to the new 3-(2-alkylthio-4-chloro-5-methylbenzenesulfonyl)-2-(1-phenyl-3-arylprop-2- enylideneamino)guanidine derivatives 8–33. The new compounds were tested in vitro for their impact on the growth of breast cancer cells MCF-7, cervical cancer cells HeLa and colon cancer cells HCT-116 by MTT assay. The results revealed that the activity of...
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A spline-based FE approach to modelling of high frequency dynamics of 1-D structures
PublicationIn this paper a computational methodology leading to the development of a new class of FEs, based on the application of continuous and smooth approximation polynomials, being splines, has been presented. Application of the splines as appropriately defined piecewise elemental shape functions led the authors to the formulation of a new approach for FEM, named as spFEM, where contrary to the well-known NURBS approach, the boundaries...
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Type D personality and the degree of control of bronchial asthma
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New vitamin D analogs as potential therapeutics in melanoma
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Vitamin D receptor(s): In the nucleus but also at membranes?
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Trend research of vitamin D receptor: Bibliometric analysis
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Spatiotemporal dynamics of the active perirheic zone in a natural wetland floodplain
PublicationAbstract The ecologically and biogeochemically significant perirheic zone is a part of the floodplain where waters originating from both the river and adjacent floodplain are present. In this study, we investigate the spatiotemporal dynamics of the active perirheic zone, i.e. river and floodplain waters and their transient mixing extent. This is achieved by using the Hydraulic Mixing-Cell method, a complement to a fully integrated...
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Highly selective impedimetric determination of Haemophilus influenzae protein D using maze-like boron-doped carbon nanowall electrodes
PublicationThis study reports a novel impedimetric immunosensor for protein D detection in purified and bacterial (Haemophilus influenzae, Hi) samples. The detection was based on antigen recognition by anti-protein D antibodies (apD) immobilised at the maze-like boron-doped carbon nanowall electrodes (B:CNW). The B:CNW electrodes were synthesised, and their surface was characterised by scanning electron microscopy (SEM) and X-ray photoelectron...
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NbIr 2 B 2 and TaIr 2 B 2 – New Low Symmetry Noncentrosymmetric Superconductors with Strong Spin–Orbit Coupling
PublicationSuperconductivity was first observed more than a century ago, but the search for new superconducting materials remains a challenge. The Cooper pairs in superconductors are ideal embodiments of quantum entanglement. Thus, novel superconductors can be critical for both learning about electronic systems in condensed matter and for possible application in future quantum technologies. Here two previously unreported materials, NbIr2B2...
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On the derivatives $\partial^{2}P_{\nu}(z)/\partial\nu^{2}$ and $\partial Q_{\nu}(z)/\partial\nu$ of the Legendre functions with respect to their degrees
PublicationWe provide closed-form expressions for the degree-derivatives $[\partial^{2}P_{\nu}(z)/\partial\nu^{2}]_{\nu=n}$ and $[\partial Q_{\nu}(z)/\partial\nu]_{\nu=n}$, with $z\in\mathbb{C}$ and $n\in\mathbb{N}_{0}$, where $P_{\nu}(z)$ and $Q_{\nu}(z)$ are the Legendre functions of the first and the second kind, respectively. For $[\partial^{2}P_{\nu}(z)/\partial\nu^{2}]_{\nu=n}$, we find that % \begin{displaymath} \frac{\partial^{2}P_{\nu}(z)}{\partial\nu^{2}}\bigg|_{\nu=n} =-2P_{n}(z)\Li_{2}\frac{1-z}{2}+B_{n}(z)\ln\frac{z+1}{2}+C_{n}(z), \end{displaymath} % where...
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The Mediation Function of Job Satisfaction's between Organizational Culture Dimensions and Knowledge Sharing
PublicationIt is commonly acknowledged that organizational culture is a valuable element of intellectual capital and as a hidden source of competitive advantage can considerably affect the achieving of strategic business goals. The axiological dimension of organizational culture is mostly identified with a set of shared assumptions and values, while work practices mainly define its behavioral dimension. Both these dimensions influence, among...
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3-[(E)-2-(5,7-dichloro-8-hydroxyquinolin-2-yl)vinyl]-4-hydroxyphenyl acetate
PublicationTytułowy związek otrzymano w reakcji 2,5 dihydroksybenzaldehydu z równomolową ilością 5,7-dichloro-2-metylochinolin-8-olu. Strukturę C19H13Cl2NO4 wyznaczono metodą rentgenowskiej analizy strukturalnej. Zawarte w komórce elementarnej cząsteczki posiadają konfiguracje E a długości wiązań C=C wynoszą w tym przypadku C10-C11 1.328(3) Å oraz C29-C30 1.330(3) Å. Cząsteczki otrzymanego związku stabilizowane są przez układ...
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Cobalt(II) tri-tert-butoxysialanethiolates.Synthesis, properties, crystal and molecular structures of [Co{SSi(OtBu)3}2(L)] and[Co{SSi(OtBu)3}2(L)2] type complexes with monodentate nitrogen ligands.
PublicationThe title heteroleptic neutral cobalt(II) tri-tert-butoxysilanethiolate complexes with monodentate nitrogen bases (L) as additional ligands have been prepared by the reactions of [Co{μ-SSi(OtBu)3}{SSi(OtBu)3}(NH3)]2 (1) with respective bases. For pyridine both types have been prepared...
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Application of wet powder spraying for anode supported solid oxide fuel cell with a perowskite SrTi0.98Nb0.02O3-d anode
PublicationAnode-supported solid oxide fuel cell with SrTi0.98Nb0.02O3–d anode, yttria-stabilized zirconia electrolyte and La(Ni0.6Fe0.4) O3d cathode has been successfully fabricated and evaluated. Process of anode support fabrication has been presented. Wet powder spraying and high temperature sintering method have been studied and applied to deposit the thin electrolyte layer.In order to improve catalytic properties of the anode, it has...
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α-Pinene, 3-carene and d-limonene in indoor air of Polish apartments: The impact on air quality and human exposure
PublicationMonoterpenes are among most ubiquitous volatile organic compounds (VOCs) to be detected in indoor air. Since the quality of indoor air is considered important for inhabitants' well-being, the present study aimed at investigating impact of human activity on levels of selected monoterpenes applying passive sampling technique followed by thermal desorption and gas chromatography coupled mass spectrometry. One of the objectives of...
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Dyfuzyjne spalanie turbulentne metanu w strudze: analiza numeryczna płomienia Sandia D
PublicationDyfuzyjne spalanie turbulentne jest najpowszechniej występującym w zastosowa-niach przemysłowych rodzajem tego procesu. Jednak jego dokładny opis wciąż sprawia trudności i obserwuje się rozwój konkurujących modeli implementowanych w podejściu RANS (Reynolds Averaged Navier Stokes), a współcześnie coraz częściej także w metodzie dużych wirów (LES) o czym świadczą liczne publikacje [13, 16, 18, 21]. W niniejszej pracy przedstawiono...
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On the deformation and frequency analyses of SARS-CoV-2 at nanoscale
PublicationThe SARS-CoV-2 virus, which has emerged as a Covid-19 pandemic, has had the most significant impact on people's health, economy, and lifestyle around the world today. In the present study, the SARS-CoV-2 virus is mechanically simulated to obtain its deformation and natural frequencies. The virus under analysis is modeled on a viscoelastic spherical structure. The theory of shell structures in mechanics is used to derive the governing...
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Bio and slide biobearings, their lubrication by non-newtonian fluids and application in non-conventional systems. Vol. 2, The theory of human joint unsteady lubrication.
PublicationW monografii przedstawiono zasady niestacjonarnego smarowania stawów człowieka o odkształcalnych chrząstkach i powierzchniach kostnych w polach indukcji magnetycznej. W opisie stochastycznym uwzględnione zostały nienewtonowskie, lepkosprężyste właściwości cieczy synowialnych jako czynnika smarującego. Monografia prezentuje rozkłady wartości ciśnienia i nośności stawów człowieka w warunkach niestacjonarnego smarowania dla drgań...
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Ekspertyza(2)
PublicationEkspertyza dotycząca odrzucenia odwołania złożonego przez firmę MLU Sp. z o.o. z siedzibą w Katowicach, ul. Połomińska 16 40-585 Katowice w Krajowej Izbie Odwoławczej przy Prezesie Urzędu Zamówień Publicznych, ul. Postępu 17a 02-676 Warszawa, wobec treści ogłoszenia o zamówieniu opublikowanym dnia 8 maja 2013r. w Dzienniku Urzędowym Unii Europejskiej pod numerem 151218-2013, dotyczącym postępowania o udzielenie zamówienia publicznego...
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Manifestation of Intermolecular Interactions in the IR Spectra of 2- and 4-Methylmethcathinones Hydrochlorides: DFT Study and Hirshfeld Surfaces Analysis
PublicationThis 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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Bromidotetrakis(2-ethyl-1H-imidazole-KN3)copper(II) bromide
PublicationThe CuII ion in the title complex, [CuBr(C5H8N2)4]Br, is coordinated in a square-pyramidal geometry by four N atoms of imidazole ligands and one bromide anion in the apical position. In the crystal, the ions are linked by a 3-D network of N-H---Br and CH---Br hydrogen bonds.
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Error analysis of calculating average d-q current components using Regular Sampling and Park transformation in FOC drives
PublicationIn electric drives using voltage source inverters, motor currents contain ripple component resulting from pulse-width modulated (PWM) voltage. The frequency range of the ripples is much higher than the bandwidth of current control. Therefore the control is performed on the basis of a fundamental current component, i.e. average value with the averaging time being the PWM period. In majority of cases the average current is measured...
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Analysis of bandwidth reservation algorithms in HIPERLAN/2.
PublicationZaprezentowano metody alokacji zasobów (pasma) w systemie HIPERLAN/2. Przedyskutowano efektywność funkcjonowania typowych algorytmów pracy podwarstwy MAC oraz zaproponowano modyfikację jednego z algorytmów, polegającą na wstępnej rezerwacji pasma i okresowym uaktualnianiu przydziału zasobów. Dokonano weryfikacji symulacyjnej zaproponowanych rozwiązań.
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Convenient and Efficient Synthesis of Functionalized 2-Sulfenylindoles
PublicationA simple, efficient, and practical sulfenylation at the C2 position of N-tosylindoles under mild conditions was developed. The designed transformation is based on the reaction of N-tosylindoles with BuLi and S-alkyl, and S-aryl phosphorodithioates or thiotosylates to produce 2-sulfenylindoles in moderate to high yields. The presence of additional hydroxy, carboxy, or amino functionalities did not disturb the formation of products
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A New Expression System Based on Psychrotolerant Debaryomyces macquariensis Yeast and Its Application to the Production of Cold-Active β-D-Galactosidase from Paracoccus sp. 32d
PublicationYeasts provide attractive host/vector systems for heterologous gene expression. The currently used yeast-based expression platforms include mesophilic and thermotolerant species. A eukaryotic expression system working at low temperatures could be particularly useful for the production of thermolabile proteins and proteins that tend to form insoluble aggregates. For this purpose, an expression system based on an Antarctic psychrotolerant...
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Giant Reed (Arundo donax L.) Fiber Extraction and Characterization for Its Use in Polymer Composites
PublicationThis work describes an extraction method for giant reed fibers from stems and leaves based on chemical soaking and crushing through a rolling mill. Obtained fibers, together with the shredded plant (stems + leaves), are characterized in terms of chemical composition, thermal stability, morphology, and crystallinity. Mechanical properties of fibers have also been assessed (single fiber tensile tests). The results show that the proposed...