Wyniki wyszukiwania dla: carbazole derivative
-
A new and convenient method for the preparation of functionalized phosphorothioates
PublikacjaA new and efficient method for the synthesis of alkyl and aryl phosphorothioates in high yields via the reaction of (5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphorin-2-yl)disulfanyl derivatives with trimethyl phosphite was developed.
-
Chemiluminogenic acridinium salts: A comparison study. Detection of intermediate entities appearing upon light generation
PublikacjaThe nine derivatives of acridine-9-carboxylic acid (CMADs) capable for chemiluminescence (CL), representing various classes of compounds were isolated in a chemically pure state (assessed by RP-HPLC) and identified using high resolution mass spectrometry (ESI-QTOF) and magnetic resonance (1H NMR) techniques. Among them are aryl acridinium esters, containing certainly selected and located substituents in both aromatic systems, an...
-
Discrete and continuous fractional persistence problems – the positivity property and applications
PublikacjaIn this article, we study the continuous and discrete fractional persistence problem which looks for the persistence of properties of a given classical (α=1) differential equation in the fractional case (here using fractional Caputo’s derivatives) and the numerical scheme which are associated (here with discrete Grünwald–Letnikov derivatives). Our main concerns are positivity, order preserving ,equilibrium points and stability...
-
Analysis of Crash Computation on a Basis of the Pronciple of Linear Momentum and Kinetic Energy
PublikacjaThe article shows the calculation of a vehicle crash with a fixed pile, modelled by the finite element method. There were compared during the crash simulations changes in kinetic energy, as well as – changes in linear momentum and its derivative, with respect to time. Calculations were made in the HyperWorks CAE software environment. The obtained results show influence of various body parts and devices of the deceleration on...
-
Development of potent and effective SARS-CoV-2 main protease inhibitors based on maleimide analogs for the potential treatment of COVID-19
PublikacjaIn the present work, we report a new series of potent SARS-CoV-2 Main Protease (Mpro) inhibitors based on maleimide derivatives. The inhibitory activities were tested in an enzymatic assay using recombinant Mpro (3CL Protease from coronavirus SARS-CoV-2). Within the set of new Mpro inhibitors, 6e demonstrated the highest activity in the enzymatic assay with an IC50 value of 8.52 ± 0.44 mM. The IC50 value for Nirmatrelvir (PF-07321332,...
-
Structural factors affecting affinity of cytotoxic oxathiole-fused chalcones toward tubulin
PublikacjaSynthesis, in vitro cytotoxic activity, and interaction with tubulin of (E)-1-(6-alkoxybenzo[d][1,3]oxathiol- 5-yl)-3-phenylprop-2-en-1-one derivatives (2) are described. Some of the compounds demonstrated cytotoxic activity at submicromolar concentrations, and the activity could be related to interaction with tubulin at the colchicine binding site. Interaction of selected derivatives with tubulinwas evaluated using molecular modeling,...
-
The synthesis and structure of a potential immunosuppressant: N-mycophenoyl malonic acid dimethyl ester
PublikacjaThe synthesis of a potential immunosuppressant, i.e. dimethyl ester of N-mycophenoyl malonic acid was optimized in the reaction of mycophenolic acid (MPA) with amino malonic dimethyl ester in the presence of propanephosphonic anhydride (T3P) as a coupling reagent. The structural properties of the obtained MPA derivative were investigated by NMR, MS and single crystal X-ray diffraction methods. Theoretical considerations of conformational...
-
Ewelina Sokołowska dr hab.
OsobyEwelina Sokołowska, Ph.D. DSc in Economics, Professor of Economics, and Head of the Division of Digital Economy and Finance at the Faculty of Management and Economics at the Gdańsk University of Technology.She holds a master's degree in economics with a specialisation in financial management. She completed her studies at the Faculty of Economic Sciences and Management at the Nicolaus Copernicus University in Toruń, where she defended...
-
A convenient and efficient alfa-sulfenylation of carbonyl compounds
PublikacjaA method for alfa-sulfenylation of carbonyl compounds by a 5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphorinane-2-disulfanyl derivatives has been developed. Readily available reagents, mild reaction conditions, and excellent yields with high selectivity makes this method quite simple, convenient and practical.
-
A New Expression for the 3-D Dyadic FDTD-Compatible Green's Function Based on Multidimensional Z-Transform
PublikacjaIn 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...
-
Aspects of pollution in Gdansk and gdynia Harbours at the coastal zone of the South Baltic Sea
PublikacjaOrganotin compounds (OTC), as well as metals, are toxic to many organisms. Even at very low concentrations OTC and metals can have several negative effects. The paper discusses key issues relating to the location of harbours in the coastal zone (including near the river mouths and semi-closed access to the sea) and the pollution of harbour sediments with heavy metals (e.g. zinc, copper, nickel and lead) and organotin derivatives...
-
Crank–Nicolson FDTD Method in Media Described by Time-Fractional Constitutive Relations
PublikacjaIn this contribution, we present the Crank-Nicolson finite-difference time-domain (CN-FDTD) method, implemented for simulations of wave propagation in media described by time-fractional (TF) constitutive relations. That is, the considered constitutive relations involve fractional-order (FO) derivatives based on the Grünwald-Letnikov definition, allowing for description of hereditary properties and memory effects of media and processes....
-
Convenient and efficient N-methylation of secondary amines under solvent-free ball milling conditions
PublikacjaIn the present work, we report the development of a rapid, efcient, and solvent-free procedure for the N-methylation of secondary amines under mechanochemical conditions. After optimization of the milling parameters, a vibrational ball mill was used to synthesize 26 tertiary N-methylated amine derivatives in a short time of 20 min (30 Hz frequency) and high yields ranging from 78 to 95%. An exception was compounds having a hydroxyl...
-
Thermodynamic Studies of Interactions between Sertraline Hydrochloride and Randomly Methylated β-Cyclodextrin Molecules Supported by Circular Dichroism Spectroscopy and Molecular Docking Results
PublikacjaThe interaction between sertraline hydrochloride (SRT) and randomly methylated β-cyclodextrin (RM β CD) molecules have been investigated at 298.15 K under atmospheric pressure. The method used—Isothermal Titration Calorimetry (ITC) enabled to determine values of the thermodynamic functions like the enthalpy (DH), the entropy (DS) and the Gibbs free energy (DG) of binding for the examined system. Moreover, the stoichiometry coefficient...
-
Atom-economic thiophosphoroselenenylations of C–H acid esters and amides
PublikacjaThree improved thiophosphoroselenenylation procedures of CHacids, including derivatives of malonic and acetyl-, phosphono-, 4-nitrophenyl- and 3-pyridylacetic acids, have been described and compared to previously reported thiophosphoroselenylation of diethyl malonate using bis(disopropoxyphosphinothioyl)diselenide alone or with the aid of methyl iodide. The use of iodine makes it possible to utilize both equivalents of the selenenylating...
-
New Analogues of Mycophenolic Acid
PublikacjaMycophenolic acid (MPA) possesses antibacterial, antifungal, antiviral, immunosuppressive and anticancer properties. It is a non-competitive and reversible inhibitor of dehydrogenase inosine-5'-monophosphate (IMPDH). This compound belongs to the immunosuppressive drugs used for the prevention of both acute and chronic transplant rejection. Until now, two derivatives of MPA have been used clinically: mycophenolate mofetil (MMF,...
-
Solving Boundary Value Problems for Second Order Singularly Perturbed Delay Differential Equations by ε-Approximate Fixed-Point Method
PublikacjaIn this paper, the boundary value problem for second order singularly perturbed delay differential equation is reduced to a fixed-point problem v = Av with a properly chosen (generally nonlinear) operator A. The unknown fixed-point v is approximated by cubic spline vh defined by its values vi = vh(ti) at grid points ti, i = 0, 1, ... ,N. The necessary for construction the cubic spline and missing the first derivatives at the boundary...
-
Pre-treatment of bio fraction waste prior to fermentation processes
PublikacjaCurrent efforts are taken to increase resource efficiency, close material loops, and improve sustainable waste and by-products management. Thus, networking agro-food by-products and converting them into valuable products completely exhausting the potential of the raw material becomes significant. Model lignocellulosic and starch based biomass were subjected to pre-treatment with the application of acidic compounds, i.e. sulphuric...
-
The stereoselective formation of β-lactams with acyl ketenes generated from 5-acyl-Meldrum's acids
PublikacjaAcyl ketenes formed during thermal decompositions of 5-acyl-2,2-dimethyl-1,3-dioxa-4,6-diones undergo stereoselective [2+2] cycloaddition to chiral aldimines. We report the first example of optically active 3-acyl-β-lactams formation from Meldrum’s acid derivatives.
-
Applications of Alkanethiols in Organic Synthesis
PublikacjaThis manuscript is an update to the earlier Science of Synthesis contribution describing methods for the synthesis of alkanethiols. Thiols can be converted into sulfonic, sulfinic, sulfenic acid and their derivatives, sulfides, disulfides, polysulfides, sulfonium salts, and thiiranes, etc. These transformations are accomplished by nucleophilic displacement or addition, oxidation, condensation, or coupling reactions involving thiol...
-
Synthesis of amides under microwave irradiation
PublikacjaAmides belong to the most important carboxylic acid derivatives. They are constituents of natural compounds like peptides and proteins. They found applications in many branches of science and industry, especially in pharmaceutical and polymer science. Conventional procedures for amide preparation involve reaction between amine and carboxylic acid or their more active derivatives such as acid chlorides, acid anhydrides or esters....
-
Copper(II) complexes of 7-amino-2-methylchromone and 7-aminoflavone: Magneto-structural, spectroscopic and DFT characterization
PublikacjaFour new complexes of copper(II) consisting of two different chromone derivatives with carbonyl and amine donor atoms: 7-aminoflavone (L1) and 7-amino-2-methylchromone (L2), were synthesized and characterized by X-ray diffraction, UV–Vis, FT-IR, EPR spectroscopy, MS and elemental analysis. In all four compounds, the chromone derivatives were found to act as monodentate O- or N-ligands. The structural characteristics of 1a and...
-
A collection of directed graphs for the minimum cycle mean weight computation
Dane BadawczeThis dataset contains definitions of the 16 directed graphs with weighted edges that were described in the following paper: Paweł Pilarczyk, A space-efficient algorithm for computing the minimum cycle mean in a directed graph, Journal of Mathematics and Computer Science, 20 (2020), no. 4, 349--355, DOI: 10.22436/jmcs.020.04.08, URL: http://dx.doi.org/10.22436/jmcs.020.04.08 These...
-
Elżbieta Cecerska-Heryć dr n.med.
OsobyWykształcenie i stopnie naukowe: 19.06.2018 r.ukończenie studiów doktoranckich z wyróżnieniem summa cum laudena Wydziale Lekarskim z OdziałemNauczania w Języku Angielskim PUM SzczecinStopień naukowy: doktor nauk medycznychWyższe2008-2013 Pomorski Uniwersytet Medyczny w Szczecinie Kierunek: Biotechnologia Specjalność: Biotechnologia MedycznaStudia licencjackie i magisterskieZatrudnienie...
-
TOTAL CROSS SECTIONS FOR ELECTRON SCATTERING FROM SELECTED HYDROCARBONS: THE SUBSTITUTIONAL AND ADDITIVITY EFFECTS
PublikacjaTotal cross sections (TCS) for electron scattering from selected alkyne molecules, ethylene and its derivatives are compared. All cross sections have been measured in a wide energy range, from about 1 eV up to 370 eV, with the same electrostatic electron spectrometer. The substitutional and additivity effects are indicated and discussed.
-
Does the chemical modification of Nystatin A1 affect the drug's ability to overcome the multidrug resistance of fungi?
PublikacjaAlthough the contemporary medicine keeps moving forward, disseminated infections caused by fungal pathogens are an emerging challenge. The dramatic rise of fungal diseases, especially the most life-threatening systemic mycoses is associated with a permanently growing number of immunodeficient patients. Undoubted difficulties in the treatment of fungal infections are caused by lack of highly effective and selective antifungal drugs,...
-
Systems of Nonlinear Fractional Differential Equations
PublikacjaUsing the iterative method, this paper investigates the existence of a unique solution to systems of nonlinear fractional differential equations, which involve the right-handed Riemann-Liouville fractional derivatives D(T)(q)x and D(T)(q)y. Systems of linear fractional differential equations are also discussed. Two examples are added to illustrate the results.
-
Numerical solution analysis of fractional point kinetics and heat exchange in nuclear reactor
PublikacjaThe paper presents the neutron point kinetics and heat exchange models for the nuclear reactor. The models consist of a nonlinear system of fractional ordinary differential and algebraic equations. Two numerical algorithms are used to solve them. The first algorithm is application of discrete Grünwald-Letnikov definition of the fractional derivative in the model. The second involves building an analog scheme in the FOMCON Toolbox...
-
Electrochemically directed biofunctionalization of a lossy-mode resonance optical fiber sensor
PublikacjaIn this work, we present a direct electrochemical biofunctionalization of an indium-tin-oxide-coated lossy-mode resonance optical fiber sensor. The functionalization using a biotin derivative was performed by cyclic voltammetry in a 10 mM biotin hydrazide solution. All stages of the experiment were simultaneously verified with optical and electrochemical techniques. Performed measurements indicate the presence of a poly-biotin...
-
Unusual behavior of secondary amine group as a leaving group
PublikacjaIn our recent project we focused on reactivity of2,2-dimethyl-4,6-dioxane-1,3-dione carbamoilo- and thiocarbamoylo- derivatives as a ketenesource. Meldrum`s acid derivatives after thermal decomposition gives substituted keteneswith stoichiometric yield, that can be trapped with various spectrum of nucleophiles likealcohols, thiols, amine, imines etc. In case of5-[3-(dimethylamino)-sulfanyl-propyliden]-2,2-dimethyl-1,3-dioxane-4,6-dione...
-
Teloxantron inhibits the processivity of telomerase with preferential DNA damage on telomeres
PublikacjaTelomerase reactivation is one of the hallmarks of cancer, which plays an important role in cellular immortalization and the development and progression of the tumor. Chemical telomerase inhibitors have been shown to trigger replicative senescence and apoptotic cell death both in vitro and in vivo. Due to its upregulation in various cancers, telomerase is considered a potential target in cancer therapy. In this study, we identified...
-
Calix[4]arenes appended with thioamide moieties as powerful tool for heavy metals recognition
PublikacjaSelectivity of new thioamide derivatives was assessed using those ligands as sensor materials in ion-selective membrane electrodes and tested towards Pb2+ - selectivity. The influence of the nature of the thioamide function (linear, branched or cyclic substituents) on their ionophoric properties was investigated. Electrodes based on cyclic thioamide moieties are promising analytical tools for monitoring Pb2+ concentration in natural...
-
Convenient and efficient synthesis of functionalized unsymmetrical alkynyl sulfides
PublikacjaWe developed a simple and efficient method for the synthesis of functionalized unsymmetrical alkynyl sulfides under mild conditions in good yields. The designed method is based on the reaction of 5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphorinan-2-disulfanyl derivatives with lithium acetylides. The developed method allows the preparation of unsymmetrical alkynyl sulfides bearing additional hydroxyl, carboxyl, or amino functionalities.
-
TMSCl Promoted Acylation of Amines with 5-(α-amino- α'-hydroxy)methylene Meldrum's Acids - Elucidation of Mechanism.
PublikacjaRecently we have observed accelerating influence of trimethyl silyl chloride addition on the rate of the reactions of 5-(α-amino- α'-hydroxy)methylene Meldrum's Acids with amines, particularly in the case of highly basic amines. However the nature of the aforementioned process remain unexplained. In proposed communication we wish to report insightful elucidation of this mechanism. The reaction under investigation involves simply...
-
Variable-fidelity shape optimization of dual-rotor wind turbines
PublikacjaPurpose Dual-rotor wind turbines (DRWTs) are a novel type of wind turbines that can capture more power than their single-rotor counterparts. Because their surrounding flow fields are complex, evaluating a DRWT design requires accurate predictive simulations, which incur high computational costs. Currently, there does not exist a design optimization framework for DRWTs. Since the design optimization of DRWTs requires numerous model...
-
Metabolic Profiles of New Unsymmetrical Bisacridine Antitumor Agents in Electrochemical and Enzymatic Noncellular Systems and in Tumor Cells
PublikacjaNew unsymmetrical bisacridines (UAs) demonstrated high activity not only against a set of tumor cell lines but also against human tumor xenografts in nude mice. Representative UA compounds, named C-2028, C-2045 and C-2053, were characterized in respect to their physicochemical properties and the following studies aimed to elucidate the role of metabolic transformations in UAs action. We demonstrated with phase I and phase II enzymes...
-
The luminescence study of Bi-doped Cs2AgInCl6 double perovskite.
Dane BadawczeHere, we report a halide precursor acid precipitation method to synthesize Cs2AgIn1−xBixCl6 (x = 0, 0.02, 0.04, 0.08, 0.16, 0.32, 0.64, and 1) microcrystals. Cs2AgInCl6 and Bi derivative double perovskites show broadband white light emission via self-trapped excitons (STEs) and have achieved the highest internal quantum efficiency of up to 52.4% at...
-
Rengel Cane Sia Doctoral Candidate
OsobyI'm Rengel, born and raised in the Philippines. I joined the Gdansk University of Technology in October 2019 as a Maria Skłodowska-Curie early-stage researcher. Calculating the Photophysics of molecular logic sensors for the early detection of atherosclerosis - a precursor to the world's leading causes of death. I'm a professional bass player. I play music to relieve stress and express creativity. I also like reading fantasy...
-
Numerical solution of fractional neutron point kinetics in nuclear reactor
PublikacjaThis paper presents results concerning solutions of the fractional neutron point kinetics model for a nuclear reactor. Proposed model consists of a bilinear system of fractional and ordinary differential equations. Three methods to solve the model are presented and compared. The first one entails application of discrete Grünwald-Letnikov definition of the fractional derivative in the model. Second involves building an analog scheme...
-
Functionalized azobenzocrown ethers as sensor materials—The synthesis and ion binding properties
PublikacjaNew 13- and 16-membered azobenzocrown ethers with aromatic amino, amide, ether–ester or ether–amide residue in para position to an azo moiety were obtained. Acid–base properties and ion binding ability of the colored compounds were studied by spectroscopic methods: UV–vis, fluorimetry and 1H NMR spectroscopy. Selected azobenzocrowns were tested as ionophores in ion-selective membrane electrodes (ISEs) – classic and miniature all...
-
The spatial planning of industrial areas in an urbanized area for cargo, in the development of inland waterway transport
PublikacjaSpatial planning, taking into account the configuration of the surface, i.e. its shape (relief) and the presence and mutual location of objects and points of characteristic water ports, is a derivative of several natural, economic, market, technical, social and political factors. It depends on the destination port, the planned structure of trade in cargo, the forecasted traffic of ships, passageways, the technology of reloading...
-
Impact of dyes isomerization effect on the charge transfer phenomenon occurring on the dye/nanosemiconductor interface
PublikacjaThe present work aimed to find the answer how does the isomerization of the Ru based dyes affect the overall photon-to-current efficiency of the DSSCs and to explain the charge transfer phenomenon occurring on the dye/ nanosemiconductor interface. Therefore, electronic and optical properties of three bipyridine derivatives anchored on the TiO2 electrode were investigated by computational simulations based on quantum chemistry codes...
-
Enhanced Toxicity of Bisphenols Together with UV Filters in Water: Identification of Synergy and Antagonism in Three-Component Mixtures
PublikacjaContaminants of emerging concern (CEC) localize in the biome in variable combinations of complex mixtures that are often environmentally persistent, bioaccumulate and biomagnify, prompting a need for extensive monitoring. Many cosmetics include UV filters that are listed as CECs, such as benzophenone derivatives (oxybenzone, OXYB), cinnamates (2-ethylhexyl 4-methoxycinnamate, EMC) and camphor derivatives (4-methylbenzylidene-camphor,...
-
Peptide modification with thiomalonoamide moiety
PublikacjaAbstract: Meldrum acid derivatives under the thermal decomposition are well known source of ketenes. Recently we investigated chemical properties of thiocarbamolyl meldrum acids. We found that 5-(α-alkylamino- α'-sulfhydryl)methylene Meldrum's acids hated in the presence of amines produce thiomalonamides. We used this reaction to the one pot synthesis of series of short peptides containing thiomalonoamide motif.
-
Synthesis and Cholinesterase Inhibitory Activity of N-Phosphorylated /N-Tiophosphorylated Tacrine
PublikacjaNovel phosphorus and thiophosphorus tacrine derivatives were designed, synthesized and their biological activity and molecular modeling was investigated as a new potential anti-Alzheimer's disease (AD) agents. All new synthesized compound exhibited lower toxicity against neuroblastoma cell line (SH-SY5Y) in comparison with tacrine. Two analogues in the series, 7 and 9, demonstrated lack of cytotoxicity against hepatocellular cells...
-
SYNTHESIS OF PHOSPHORUS TACRINE ANALOGUES AS A NEW POTENTIAL ANTI-ALZHEIMER’S DISEASE AGENTS
PublikacjaA series of novel phosphorus tacrine derivatives was obtained in three steps, including synthesis of 9-chlorotacrine, connection of 9-chlorotacrine with hexamethylenediamine, 1,8-diaminooctane and 1,12-diaminododecane linkers and reaction of obtained tacrine diamine analogues with corresponding acid ester to give nine tacrine organophosphorus compounds. All of the obtained final structures were characterized by 1H NMR, 13C NMR,...
-
Cross-linking of epoxy-oligomeric mixtures in the presence of modified phenol-formaldehyde resins
PublikacjaCross-linking of epoxy oligomeric mixtures consisting of industrial epoxy resin ED-20, oligoetheracrylate TGM-3, peroxide derivative of epoxy resin ED-24 and phenol-formaldehyde oligomer with unsaturated methacrylate fragments or peroxide groups was studied in the presence of polyethylenepolyamine at room temperature and heated to 383, 403 or 423 K for 15, 30, 45, 60 and 75 minute. The influence of mixture composition, temperature...
-
Recurrence scheme for FDTD-compatible discrete Green's function derived based on properties of Gauss hypergeometric function
PublikacjaIn this paper, the formulation of one-dimensional FDTD (Finite-difference time-domain)-compatible discrete Green's function (DGF) is derived based on the Gauss hypergeometric function (GHF). The properties of GHF make it possible to derive the recurrence scheme only in the time domain for the DGF generation. Furthermore, this recurrence scheme is valid for any stable time-step size and can be implemented using standard numerical...
-
Novel Functionalization of Boron-Doped Diamond by Microwave Pulsed-Plasma Polymerized Allylamine Film
PublikacjaWe report the novel modification of a hydrogen-terminated polycrystalline boron-doped electrode with a microwave pulsed-plasma polymerized allylamine. Boron-doped diamond (BDD) was coated with a very thin layer of adherent cross-linked, pinhole- and additive-free allylamine plasma polymer (PPAAm) resistant to hydrolysis and delamination and characterized by a high density of positively charged amino groups. The pulsed microwave...
-
‘Acridines’ as New Horizons in Antifungal Treatment
PublikacjaFrequent fungal infections in immunocompromised patients and mortality due to invasive mycosis are important clinical problems. Opportunistic pathogenic Candida species remain one of the leading causes of systemic mycosis worldwide. The repertoire of antifungal chemotherapeutic agents is very limited. Although new antifungal drugs such as lanosterol 14α-demethylase and β-glucan synthase inhibitors have been introduced into clinical...