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Hydration of simple amides. FTIR spectra of HDO and theoretical studies
PublikacjaZastosowano metodę ważonych widm różnicowych do opisu hydratacji amidów w roztworach wodnych: formamidu, N-metyloformamidu, N,N-dimetyloformaidu, acetamidu, N-metyloacetamidu, N,N-dimetyloacetamidu. Narzędziem wspomagającym interpretację wyników eksperymentalnych są struktury agregatów solwatacyjnych wokół cząsteczki substancji rozpuszczonej uzyskane na podstawie obliczeń teoretycznych metodą ab initio z korelacją elektronową...
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Photofragmentation of tetrahydrofuran molecules in the vacuum-ultraviolet region via superexcited states studied by fluorescence spectroscopy
PublikacjaPhotofragmentation of tetrahydrofuran molecules in the vacuum-ultraviolet region, producing excited atomic and molecular fragments, has been studied over the energy range 14-68 eV using photon-induced fluorescence spectroscopy. Excited hydrogen atoms H(n), n = 3-11, have been detected by observation of the Hα to Hı lines of the Balmer series. The diatomic CH(A2Δ), CH(B2Σ-) and C2(d3Πg) fragments, which are excited to low vibrational...
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Long-term simulation of the activated sludge process at the Hanover-Gümmerwald pilot WWTP
PublikacjaCelem badań było uzyskanie zweryfikowanego modelu ASM3P, który mógłby być wykorzystany jako narzędzie decyzyjne do wyznaczania maksymalnych przepływów w oczyszczalniach ścieków. Symulacje przeprowadzono w oparciu o wyniki badań obciążeń hydraulicznych w pilotowej oczyszczalni ścieków Hanower-Gummerwald. Wyniki symulacji zostały porównane z wynikami pomiarów on-line w komorach osadu czynnego (N-NH4, N-NO3) oraz w odpływie z osadnika...
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Organic-inorganic materials for fast charging-discharging processes in energy storage devices
PublikacjaPraca dotyczy materiału kompozytowego złożonego z poli(3,4-etylenodioksytiofenu) i heksacyjanokobaltanu żelaza. Materiał został otrzymany elektrochemicznie bezpośrednio na elektrodzie tytanowej metodą jednoetapowa z zawiesiny zawierającej monomer (EDOT) oraz Fe3[Co(CN)6]2 w postaci proszku. Warstwy pEDOT/FehcCo otrzymane potencjostatycznie ładunkiem od 0,6 do 1,5 C/cm2 charakteryzują się różną grubością (od 1,9 do 4 μm) zależną...
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Modyfikacja poliuretanów do zastosowań medycznych kolagenem i chitozanem
PublikacjaW referacie omówiono syntezę i przedstawiono charakterystykę segmentowych poliuretanów (PU) do zastosowań medycznych otrzymanych z wykorzystaniem o poli(ε- kaprolaktonodiolu) jako oligodiolu, alifatycznego 1,6-diizocyjanianu heksametylenowego oraz 1,4-butanodiolu jako przedłużacza łańcuchów. Tak otrzymane poliuretany modyfikowano naturalnymi polimerami: kolagenem i chitozanem. Celem modyfikacji było podniesienie biozgodność uzyskanych...
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Tight bounds on the complexity of semi-equitable coloring of cubic and subcubic graphs
PublikacjaWe consider the complexity of semi-equitable k-coloring, k>3, of the vertices of a cubic or subcubic graph G. In particular, we show that, given a n-vertex subcubic graph G, it is NP-complete to obtain a semi-equitable k-coloring of G whose non-equitable color class is of size s if s>n/3, and it is polynomially solvable if s, n/3.
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A space-efficient algorithm for computing the minimum cycle mean in a directed graph
PublikacjaAn algorithm is introduced for computing the minimum cycle mean in a strongly connected directed graph with n vertices and m arcs that requires O(n) working space. This is a considerable improvement for sparse graphs in comparison to the classical algorithms that require O(n^2) working space. The time complexity of the algorithm is still O(nm). An implementation in C++ is made publicly available at http://www.pawelpilarczyk.com/cymealg/.
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IR and Raman study of oxy-nitride glasses
PublikacjaVarious silicate and phosphate glasses with and without nitride addition were structurally characterized by IR and Raman spectroscopy. The studied glass systems include Na-Ca-P-O-N (1), AE-Si-O-N (with AE=Mg, Ca, Sr, Ba)(2), La-Si-O-N (3) as well as the Na-(Li)-Be-O-(N) (4,5) system. The samples were prepared by different techniques such as remelting of pre-prepared glass samples of the oxide systems with Mg and/or Si3N4 powders...
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The hydration of selected biologically relevant molecules – the temperature effect on apparent molar volume and compression
PublikacjaThe densities and sound velocities at T = (288.15, 293.15, 298.15, 303.15 and 308.15) K were measured for aqueous solutions of glycine, trimethylamine-N-oxide, taurine and N-methylacetamide. From these data, the apparent molar volumes, V the apparent molar isentropic compressions, KS,, and the Passynski hydration numbers of solutes were determined. The concentration dependencies of the calculated quantities, their limiting values...
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Towards a classification of networks with asymmetric inputs
PublikacjaCoupled cell systems associated with a coupled cell network are determined by (smooth) vector fields that are consistent with the network structure. Here, we follow the formalisms of Stewart et al (2003 SIAM J. Appl. Dyn. Syst. 2, 609–646), Golubitsky et al (2005 SIAM J. Appl. Dyn. Syst. 4, 78–100) and Field (2004 Dyn. Syst. 19, 217–243). It is known that two non-isomorphic n-cell coupled networks can determine the same sets of...
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Distinguishing views in symmetric networks: A tight lower bound
PublikacjaThe view of a node in a port-labeled network is an infinite tree encoding all walks in the network originating from this node. We prove that for any integers n ≥ D ≥ 1, there exists a port-labeled network with at most n nodes and diameter at most D which contains a pair of nodes whose (infinite) views are different, but whose views truncated to depth Omega( D log(n/ D )) are identical.
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Approximation Strategies for Generalized Binary Search in Weighted Trees
PublikacjaWe consider the following generalization of the binary search problem. A search strategy is required to locate an unknown target node t in a given tree T. Upon querying a node v of the tree, the strategy receives as a reply an indication of the connected component of T\{v} containing the target t. The cost of querying each node is given by a known non-negative weight function, and the considered objective is to minimize the total...
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The New 3D Printed Left Atrial Appendage Closure with a Novel Holdfast Device: A Pre-Clinical Feasibility Animal Study
PublikacjaMany patients undergoing cardiac surgery have risk factors for both atrial fibrillation and stroke. The left atrial appendage (LAA) is the primary site for thrombi formation. Therefore LAA occlusion devices should be tested for their ability to reduce future cerebral ischemic events in patients with high-risk of haemorrhage. The aim of this study was to evaluate the safety and feasibility of a novel left atrial appendage exclusion...
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All graphs with paired-domination number two less than their order
PublikacjaLet G=(V,E) be a graph with no isolated vertices. A set S⊆V is a paired-dominating set of G if every vertex not in S is adjacent with some vertex in S and the subgraph induced by S contains a perfect matching. The paired-domination number γp(G) of G is defined to be the minimum cardinality of a paired-dominating set of G. Let G be a graph of order n. In [Paired-domination in graphs, Networks 32 (1998), 199-206] Haynes and Slater...
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Experimental and Theoretical Screening for Green Solvents Improving Sulfamethizole Solubility
PublikacjaSolubility enhancement of poorly soluble active pharmaceutical ingredients is of crucial importance for drug development and processing. Extensive experimental screening is limited due to the vast number of potential solvent combinations. Hence, theoretical models can offer valuable hints for guiding experiments aimed at providing solubility data. In this paper, we explore the possibility of applying quantum-chemistry-derived...
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An algorithm for selecting a machine learning method for predicting nitrous oxide emissions in municipal wastewater treatment plants
PublikacjaThis study presents an advanced algorithm for selecting machine learning (ML) models for nitrous oxide (N2O) emission prediction in wastewater treatment plants (WWTPs) employing the activated sludge process. The examined ML models comprised multivariate adaptive regression spline (MARS), support vector machines (SVM), and extreme gradient boosting (XGboost). The study explores the concept that involves new criteria to select the...
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A new optimal algorithm for a time-dependent scheduling problem
PublikacjaIn this article a single machine time-dependent scheduling problem with total completion time criterion is considered. There are n given jobs j_1, ..., j_n and the processing time pi of the i-th job is given by p_i = 1 + b_is_i, where si is the starting time of the i-th job, i = 1, ..., n. If all jobs have different and non-zero deterioration rates and bi > bj => bi >= (b_min+1)/(b_min) b_j + 1/b_min, where b_min = min{b_i}, then...
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Phonons at the Fe(110) Surface
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Sleep bruxism: An interdisciplinary concern
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The European Training Network ETUDE (Encompassing Training in fUnctional Disorders across Europe): a new research and training program of the EURONET-SOMA network recruiting 15 early stage researchers
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Liczby Ramseya on-line dla różnych klas grafów
PublikacjaRozpatrujemy grę rozgrywaną na nieskończonej liczbie wierzchołków, w której każda runda polega na wskazaniu krawędzi przez jednego gracza - Budowniczego oraz pokolorowaniu jej przez drugiego gracza - Malarkę na jeden z dwóch kolorów, czerwony lub niebieski. Celem Budowniczego jest zmuszenie Malarki do stworzenia monochromatycznej kopii wcześniej ustalonego grafu H w jak najmniejszej możliwej liczbie ruchów. Zakładamy, że gracze...
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ADAPTATION OF THE ACTIVATED SLUDGE TO THE DIGESTATE LIQUORS DURING THE NITRIFICATION AND DENITRIFICATION PROCESSES
PublikacjaThe activated sludge process of the digestate liquors after chemical separation was conducted using a 10 L lab-scale sequencing batch reactor (SBR) and a 0.50 m3 pilotscale SBR independently (with pH control). Due to the relatively high concentration of free ammonia (FA), clear inhibitory effects of the digestate liquors on the nitrifying bacteria were observed. The adaptation of the activated sludge to the toxicity was evaluated...
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Stark effect of atomic helium singlet lines
PublikacjaWe present experimental and theoretical investigations of the He spectral series 2S1−nQ1 (n=3÷9, Q=S,P,D,…,n−1) and 2P1−nQ1 (n=3÷9, Q=S,P,D,…,n−1) in electric fields up to 1635 kV/cm. Apart from the allowed transitions with |ΔL|=1, the transitions with |ΔL|=0,2,3,…-without field strictly forbidden-were observed. Several He patterns become similar to hydrogen patterns, which means they are nearly symmetric and show in higher fields...
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One dimensional coordination polymers generated from Cd(II) tri-tert-butoxysilanethiolates and flexible aliphatic diamines.
PublikacjaPraca ta dotyczy chemii koordynacyjnej tri-tert-butoksysilanotiolanu kadmu(II) z diaminami alifatycznymi. Reakcja dwucentowego [Cd{SSi(OtBu)3}2]2 z poszczególnymi diaminami pozwala otrzymać pięć nowych obojętnych jednowymiarowych polimerów koordynacyjnych o różnej topologii łańcuchów [Cd{SSi(OtBu)3}2(μ-C4H12N2)(CH3OH)]n (1), [Cd{SSi(OtBu)3}2(μ-C5H14N2)(CH3OH)]n (2) [Cd{SSi(OtBu)3}2(μ-C6H16N2)(CH3OH)]n (3), [Cd{SSi(OtBu)3}2(μ-C7H18N2)]n...
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Ellipsometric study of carbon nitride films deposited by DC-magnetron sputtering
PublikacjaWe report the optical properties of a carbon nitride (CNx) film as a function of nitrogen concentration (N/C) of the deposited film. As nitrogen concentration is increased (N/C ratio) in a CNx film, the refractive index and band gap also increase. The real and imaginary parts, n and k (refractive index and extinction coefficient) of the complex refraction index of carbon nitride films were determined by spectroscopic ellipsometry...
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Amyloid fibril formation in the presence of water structure-affecting solutes
PublikacjaThe impact of the differently hydrated non-electrolytes (protein structure destabilizers) on the fibrillation of hen egg white lysozyme (HEWL) was investigated. Two isomeric urea derivatives i.e. butylurea (BU) and N,N,N′,N′-tetramethylurea (TMU) were chosen as a tested compounds. The obtained results show that butylurea exerts greater impact on HEWL and its fibrillation than tetramethylurea. Both substances decrease the time of...
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Valence and ionic lowest-lying electronic states of ethyl formate as studied by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy, and ab initio calculations
PublikacjaThe highest resolution vacuum ultraviolet photoabsorption spectrum of ethyl formate, C2H5OCHO, yet reported is presented over the wavelength range 115.0–275.5 nm (10.75–4.5 eV) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series, observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies...
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Efficient synthesis of PMMA@Co0.5Ni0.5Fe2O4 organic-inorganic hybrids containing hyamine 1622 – Physicochemical properties, cytotoxic assessment and antimicrobial activity
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Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides
PublikacjaBy the reaction of urea or thiourea, acetylacetone and hydrogen halide (HF, HBr or HI), we have obtained seven new 4,6-dimethyl-2-pyrimido(thio)nium salts, which were characterized by single-crystal X-ray diffraction, namely, 4,6-dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium bifluoride, C₆H₉N₂O⁺·HF₂⁻ or (dmpH)F₂H, 4,6-dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium bromide, C₆H₉N₂O⁺·Br⁻ or (dmpH)Br, 4,6-dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium...
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The influence of synthetic polyhydroxybutyrate on selected properties of novel polyurethanes for medical applications. Part I. Polyurethanes with aromatic diisocyanates in hard segments
PublikacjaZsyntetyzowano poliuretany (PUR) z udziałem 37% segmentu sztywnego uzyskanego na etapie przedłużania łańcucha prepolimeru w reakcji 4,4â-diizocyjanianu difenylometanu (MDI) z 1,4-butanodiolem (1,4-BD). Segmenty giętkie wytworzonych PUR były zbudowane z poli([R,S]-3--hydroksymaoelanu) (a-PHB) i polikaprolaktonodiolu (PCL) lub z a-PHB i polioksytetrametylenodiolu(PTMG). Zbadano wpływ obecności w łańcuchu PUR syntetycznego a-PHB...
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Modyfikacja biodegradowalnych poliestrów alifatycznych za pomocą inicjatorów nadtlenkowych
PublikacjaCzynniki ekologiczne, ekonomiczne oraz większa świadomość społeczeństwa wpływają korzystnie na dynamiczny rozwój bio- degradowalnych materiałów, które sukcesywnie zastępują polimery „konwencjonalne”. Biodegradowalne polimery zarówno ze źródeł odnawialnych, jak i nieodnawialnych wzbudzają duże zainteresowanie wielu jednostek naukowo-badawczych oraz firm, głównie w zakresie ich modyfikacji. W pracy przedstawiono wyniki badań wpływu...
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Wpływ produkcji butelek z tworzyw sztucznych na środowisko naturalne. Cz. I. Zastosowanie metody oceny ReCiPe 2016 w celu identyfikacji problemów środowiskowych
PublikacjaDokonano oceny wpływu opakowań na środowisko naturalne. Głównym celem było przeprowadzenie analizy cyklu życia (LCA) butelki do napojów wykonanej z poli(tereftalanu etylenu) (PET). Za jednostkę funkcjonalną przyjęto łącznie 1000 szt. butelek PET o pojemności 1 L. Granica przyjętego systemu obejmowała kroki od momentu dostarczenia preform do zakładu produkcyjnego aż do ich prawidłowego ukształtowania w procesie produkcyjnym. Z systemu...
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Generation of chirality in 4,4'-azopyridine by co-crystallization with optically active dicarboxylic acids
PublikacjaOtrzymano kokryształy anti-4,4'-azopirydyny z optycznie czynnymi kwasai: 9,10-dihydro-9,10-etanoantraceno-11,12-dikarboksylowym i trans-1,2-cykloheksnodikarboksylowym. Następnie pomierzono dichroizm kołowy otrzymanych kryształów. Dodatni znak efektu Cottona, odpowiadający niskoenergetycznemu wzbudzeniu elektronowemu n-pi*, został skorelowany z M helikalnością skręconego chromoforu Ar-N=N. Absolutna konfiguracja skręconej cząsteczki...
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Reconfiguring Minimum Dominating Sets in Trees
PublikacjaWe provide tight bounds on the diameter of γ-graphs, which are reconfiguration graphs of the minimum dominating sets of a graph G. In particular, we prove that for any tree T of order n ≥ 3, the diameter of its γ-graph is at most n/2 in the single vertex replacement adjacency model, whereas in the slide adjacency model, it is at most 2(n − 1)/3. Our proof is constructive, leading to a simple linear-time algorithm for determining...
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Geometric analogue of holographic reduced representation
PublikacjaHolographic reduced representations (HRRs) are distributed representations of cognitive structuresbased on superpositions of convolution-bound n-tuples. Restricting HRRs to n-tuples consisting of 1,one reinterprets the variable binding as a representation of the additive group of binary n-tupleswith addition modulo 2. Since convolutions are not defined for vectors, the HRRs cannot be directlyassociated with geometric structures....
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Understanding the interactions between protein stabilizers and the peptide bond through the analysis of the volumetric and compressibility properties for the model systems
PublikacjaThis work confirms our earlier supposition, that volumetric and acoustic parameters for simple model proposed by us are directly related to stabilizing/destabilizing effect of osmolytes on proteins structure. The apparent molar volumes, V and the apparent molar isentropic compressions, KS,, of glycine and N,N,N –trimethylglycine (betaine) were determined from densities and speed of sound measurements in aqueous solution of N-methylacetamide...
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An Algorithm for Listing All Minimal 2-Dominating Sets of a Tree
PublikacjaWe provide an algorithm for listing all minimal 2-dominating sets of a tree of order n in time O(1.3248n) . This implies that every tree has at most 1.3248 n minimal 2-dominating sets. We also show that this bound is tigh.
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Nitrification, denitrification, and dephosphatation capability of activated sludge during co-treatment of intermediate-age landfill leachates with municipal wastewater
PublikacjaThis study focuses on the possible use and efficacy of the co-treatment of landfill leachate (intermediate-age) with municipal wastewater. The nitrification, denitrification, and dephosphatation capability of activated sludge acclimated with a mixture of raw municipal wastewater (RWW) with gradually increasing amounts of raw landfill leachate (RLL) (from 0.5 to 5% v/v) were tested. Biochemical tests were conducted simultaneously...
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Effect of Aromatic System Expansion on Crystal Structures of 1,2,5-Thia- and 1,2,5-Selenadiazoles and Their Quaternary Salts: Synthesis, Structure, and Spectroscopic Properties
PublikacjaRational manipulation of secondary bonding interactions is a crucial factor in the construction of new chalcogenadiazole-based materials. This article reports detailed experimental studies on phenanthro[9,10-c][1,2,5]chalcogenadiazolium and 2,1,3-benzochalcogenadiazolium salts and their precursors. The compounds were synthesized, characterized employing NMR and UV-Vis spectroscopy. TD-DFT calculations were also performed. The influence...
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Discussion of “Axisymmetric Simulations of Cone Penetration in Saturated Clay” by Diane M. Moug, Ross W. Boulanger, Jason T. DeJong, and Robert A. Jaeger
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Sustainable nitrogen removal in anammox-mediated systems: Microbial metabolic pathways, operational conditions and mathematical modelling
PublikacjaAnammox-mediated systems have attracted considerable attention as alternative cost-effective technologies for sustainable nitrogen (N) removal from wastewater. This review comprehensively highlights the importance of understanding microbial metabolism in anammox-mediated systems under crucial operation parameters, indicating the potentially wide applications for the sustainable treatment of N-containing wastewater. The partial...
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Pochodne kwasu neopentylidenofosforoditiowego jako substraty do syntezy ugrupowania trisulfidowego
PublikacjaBadania przeprowadzone w Katedrze Chemii Organicznej Wydziału Chemicznego Politechniki Gdańskiej na przestrzeni ostatnich kilku lat, pokazały wszechstronność pochodnych kwasu neopentylidenofosforoditiowego [32] w syntezie symetrycznie i niesymetrycznie podstawionego ugrupowania disulfidowego. Wyniki powyższych badań doprowadziły do opracowania nowej strategii syntetycznej, umożliwiającej otrzymywanie...
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An improved preparation of N2-tert-butoxycarbonyl- and N2-benzyloxycarbonyl-(S)-2,4-diaminobutanoic acids.
PublikacjaN-Benzyloksykarbonylo i N-tert-butoksykarbonylo-(S)-asparaginę przekształcono do odpowiednio chronionego kwasu (S)-2,4-diaminobutanowego z dobrą wydajnością, w reakcji z octanem jodobenzenu w temp. 0 st.C w mieszaninie tetrahydrofuranu i wody.
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Chromogenic amides of pyridine-2,6-dicarboxylic acid as anion receptors
PublikacjaThe synthesis of simple, chromogenic pyridine-2,6-dicarboxylic acid amides, derivates of isomeric nitroanilines and aminonitrophenols, and their ion binding properties are described. The ligands' response to ionic species was examined by naked eye and was studied with the use of UV-Vis spectroscopy in DMSO and its mixture with water. The effect of the localisation and the type of the substituents in aromatic rings were discussed....
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Routing equal-size messages on a slotted ring
PublikacjaAnalizujemy problem routingu wiadomości w sieci slotted ring, biorąc pod uwagę dwa kryteria optymalizacyjne: długość uszeregowania oraz liczbę 'cykli' pracy sieci. Optymalny routing dla wiadomości o rozmiarze k jest silnie NP-trudny, natomiast dla k=q, gdzie q jest rozmiarem sieci, można obliczyć w czsie O(n^2log n) dla pierwszego kryterium. Podajemy również algorytm o czasie działania O(nlog n) oraz o stałym współczynniku dobroci....
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Superexcited states in the vacuum-ultraviolet photofragmentation of isoxazole molecules
PublikacjaThe photofragmentation of isoxazole molecules producing excited atomic and molecular fragments has been investigated over the energy range 16-50 eV, using photon-induced fluorescence spectroscopy. The following fragments have been identified by their fluorescence: the excited hydrogen atoms H(n), n = 3-7 and the diatomic CH(A2Δ, B2Σ−), CN(B2Σ+) and C2(d3Πg) fragments. The diatomic fragments are vibrationally and highly rotationally...
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Nondestructive Optical Sensing of Flavonols and Chlorophyll in White Head Cabbage ( Brassica oleracea L. var. capitata subvar. alba ) Grown under Different Nitrogen Regimens
PublikacjaA multiparametric optical sensor was used to nondestructively estimate phytochemical compounds in white cabbage leaves directly in the field. An experimental site of 1980 white cabbages (Brassica oleracea L. var. capitata subvar. alba), under different nitrogen (N) treatments, was mapped by measuring leaf transmittance and chlorophyll fluorescence screening in one leaf/cabbage head. The provided indices of flavonols (FLAV) and...
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Experimental and theoretical study of protonated water cluster
PublikacjaZa pomocą metody rojowej zbadano powstanie i dryf dodatnio naładowanych klastrów wody H+(H20)n n=1-7. Oszacowano energie dysocjacji. Prace uzupełniają obliczenia kwantowe konfiguracji wybranych klastrów. Dokonano obliczeń kilkunastu konfiguracji zjonizowanych klastrów.
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BASECOL2023 scientific content
PublikacjaContext. The global context of making numerous data produced by researchers available requires collecting and organising the data, assigning meaningful metadata, and presenting the data in a meaningful and homogeneous way. The BASECOL database, which collects inelastic rate coefficients for application to the interstellar medium and to circumstellar and cometary atmospheres, meets those requirements. Aims. We aim to present the...
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Bromidotetrakis(2-ethyl-1H-imidazole-KN3)copper(II) bromide
PublikacjaThe 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.