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Search results for: N-NITROZO-2,4-DIARYLO-3-AZABICYKLO[331]NONANY
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Potassium Tri-tert-butoxysilanethiolates: Synthesis, Properties, and Crystal and Molecular Structures of [(tBuO)3SiSK]6[THF]2·2THF, {[(tBuO)3SiS]2K2}n, and [(tBuO)3SiSK]4[H2O]4·C6H6
PublicationW reakcji tri-tert-butoksysilanotiolu z potasem otrzymano trzy nowe związki:[(tBuO)3SiSK]6[THF]2·2THF, {[(tBuO)3SiS]2K2}n, i[(tBuO)3SiSK]4[H2O]4·C6H6. Stanowią one dogodne substraty w syntezach kompleksów silanotiolanowych metali przejściowych. Charakteryzują się one również różnorodnością tworzonych układów. Rentgenowska analiza strukturalna wykazała, iż tworzą one trzy typy makrocząsteczkowych układów, w których...
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Influence of synthesis conditions on glass formation, structure and thermal properties in the Na 2 O-CaO-P 2 O 5 system doped with Si 3 N 4 and Mg
PublicationOxynitride phosphate glasses and glass-ceramics were prepared using new synthesis routes for phosphate glasses. Materials were melted from pre-prepared glass samples in the system Na-Ca-P-O with addition of Mg and/or Si3N4 powders under different preparation conditions. The melting process was conducted at 1000–1500 °C either under air or nitrogen atmosphere to obtain materials with different nitrogen content. Their topography...
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Approximating the maximum 2- and 3-edge-colorable subgraph problems
PublicationDla ustalonej wartości parametru k>=2, problem maksymalnego podgrafu krawędziowo k-kolorowalnego polega na wskazaniu k rozłącznych skojarzeń w grafie prostym, a kryterium optymalizacji jest maksymalizacja całkowitej liczby użytych krawędzi. W pracy podano algorytmy 5/6- i 4/5-przybliżone odpowiednio dla przypadków k=2 i k=3, poprawiając wyniki znane z literatury.
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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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Karolina Lademann mgr
PeopleCurriculum vitae
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Novel 2-alkythio-4-chloro-N-[imino(heteroaryl)methyl]benzenesulfonamide Derivatives: Synthesis, Molecular Structure, Anticancer Activity and Metabolic Stability
PublicationA series of novel 2-alkythio-4-chloro-N-[imino-(heteroaryl)methyl]benzenesulfonamide derivatives, 8–24, were synthesized in the reaction of the N-(benzenesulfonyl)cyanamide potassium salts 1–7 with the appropriate mercaptoheterocycles. All the synthesized compounds were evaluated for their anticancer activity in HeLa, HCT-116 and MCF-7 cell lines. The most promising compounds, 11–13, molecular hybrids containing benzenesulfonamide...
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Creation of Hydrogen Bonded 1D Networks by Cocrystallization of N,N`-bis(2-pyridyl) aryldiamines with Dicarboxylic Acids.Tworzenie 1D sieci krystalicznych poprzez kokrystalizację N,N` -bis(2-piry- dylo) arylodiamin z kwasami dikarboksylowymi.
PublicationZsyntetyzowano szereg N,N`-bis(2-pirydylo) arylodiamin, a następnie otrzymano serię kompleksów w/w amin z kwasami dikarboksylowymi oraz kwasem kwadratowym w postaci monokryształów. Jednostki N,N`-bis(2-pirydylo) arylodiamin i kwasy dikarboksylowe oddziaływują ze sobą poprzez wiązania wodorowe tworząc ośmioczłonowy cykliczny układ. W kompleksach 1:1 cząsteczki układają się w jedno-wymiarową sieć krystaliczną tworzoną przy udziale...
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Dataset of non-isomorphic graphs of the coloring types (K3,Km;n), 2<m<7, 1<n<R(3,m)
Open Research DataFor K3 and Km graphs, a coloring type (K3,Km;n) is such an edge coloring of the full Kn graph, which does not have the K3 subgraph in the first color (representing by no edges in the graph) or the Km subgraph in the second color (representing by edges in the graph).The Ramsey number R(3,m) is the smallest natural number n such that for any edge coloring...
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N-Alkylation of D-glucosamine and 2-amino-2-deoxy-D-glucitol-6-phosphate
PublicationTematem pracy była synteza N-alkilowych pochodnych D-glukosaminy i 2-amino-2-deoxy-D-glukitolo-6-fosforanu
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Anion recognition by α-arylazo-N-confused calix[4]pyrroles
PublicationZsyntezowano nowe azowe pochodne N-odwróconych kaliks[4]piroli na drodze sprzęgania z różnymi solami arylodiazoniowymi. Zbadano zdolność kompleksowania anionów w chlorku metylenu oraz w acetonitrylu przez otrzymane związki z zastosowaniem spektrofotometrii UV-Vis.
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Thermal analysis of manganese(II) complexes of general formula(Et4N)2[MnBrnCl4−n]
PublicationBadano termiczną dekompozycję związków zawierających aniony [MnBrnCl4−n]2− (n = 0-4) i kation tetraetylammonium. Wykorzystywano metody DSC i TG. Badania prowadzono w atmosferze argonu w temperaturze 173-500K (DSC)i 300-1073K (TG). Produkty dekompozycji określono za pomocą MS, FTIR, Far-FTIR i dyfraktometrii rentgenowskiej.
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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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Lead(II) coordination polymers with imidazole-4- and pyrazole-3-carboxylate isomeric linkers: Structural diversity and luminescence properties
PublicationUsing 1H-imidazole-4-carboxylic acid (4imCOOH) and 1H-pyrazole-3-carboxylic acid (3pyrCOOH) coordination polymers [Pb(4imCOO)2(H2O)]n (1) and [Pb2(3pyrCOO)4]n (2) were constructed. Obtained polymers were characterized via FT-IR, X-ray, PL and TG methods. The coordination polyhedron around Pb(II) in 1 is described as distorted pentagonal pyramid with hemidirected coordination sphere (based on DFT calculations). Compound 2 consists...
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Thermal analysis of manganese(II) complexes of general formula (Bu4N)2[MnBrnCl4−n]
PublicationBadano termiczną dekompozycję związków zawierających aniony tetrahalogenomanganese(II), [MnBrnCl4−n]2−(n = 0-4) i kationy tetrabutylammonium. Stosowane metody to: DSC, TG-FTIR, TG-MS i DTA. Pomiary prowadzono w argonie i powietrzu w zakresie temperatur 173-450K (DSC) i 300-1073K (TG). Stałe produkty dekompozycji identyfikowano metodami spektroskopii FT-FIR i dyfraktometrii rentgenowskiej.
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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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Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N'-bis(2-pyridyl)aryldiamines
PublicationOtrzymano pięć krystalicznych kompleksów fenazyny z N,N'-bis(2-pirydylo)arylodiaminami i N'N'-difenylo-1,4-diamino-benzenem o różnej stechiometrii. Badania struktur tych kompleksów za pomocą metod rentgenograficznych wykazały, że powiązane wiązaniami wodorowymi typu NH...N cząsteczki fenazyny i arylodiamin układają się w stosy, które stabilizowane są poprzez oddziaływaniami typu π-π płaszczyzna-krawędź pierścieni aromatycznych....
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Formation of chlorinated breakdown products during degradation of sunscreen agent, 2-ethylhexyl-4-methoxycinnamate in the presence of sodium hypochlorite
PublicationIn this study, a new degradation path of sunscreen active ingredient, 2-ethylhexyl-4-methoxycinnamate (EHMC) and 4-methoxycinnamic acid (MCA) in the presence of sodium hypochlorite (NaOCl), was discussed. The reaction products were detected using gas chromatography–mass spectrometry (GC-MS). Since HOCl treatment leads to more polar products than EHMC, application of polar extracting agents, dichloromethane and ethyl acetate/n-hexane...
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Związek wielonienasyconych kwasów tłuszczowych z rodziny n-3 i n-6 z ciśnieniem tętniczym u zdrowych mężczyzn
PublicationRegularne spożycie ryb i długołańcuchowych kwasów tłuszczowych (LC-PUFA) pochodzenia morskiego może obniżać ciśnienie tętnicze i zmniejszyć ryzyko choroby wieńcowej. Jednakże wpływ poszczególnych kwasów tłuszczowych z rodzinyn-3 i n-6 PUFA jest nadal kontrowersyjny. Uzyskane wyniki potwierdzają hipotezę o wpływie składu wielonienasyconych kwasów tłuszczowych (PUFA) z rodzin n-3 i n-6 w surowicy i w erytrocytach na wysokość ciśnienia...
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Właściwości geomechaniczne skał węglanowych z otworów wiertniczych Mełgiew 2, 3, 4, i 6k
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Synthesis of 3-Carbamoyl b-Lactams via Manganese(III)-Promoted Cyclization of N-Alkenylmalonamides
PublicationManganese(III)-promoted cyclization of N-alkenylmalonamides (¼N-alkenylpropanediamides) gave 3-(aryl/(alkylamino)carbonyl) b-lactams as well as 3-(aryl/(alkylamino)thiocarbonyl) b-lactams. The relative configuration of the obtained products was unambiguously determined by X-ray crystallography. The proposed method is very useful for the one-pot synthesis of a number of 3-(aryl/ (alkylamino)carbonyl) b-lactams, especially those...
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Krzysztof Jan Kaliński prof. dr hab. inż.
PeopleKrzysztof J. Kaliński completed his MSc study at Gdańsk University of Technology (GUT) Faculty of Production Engineering (1980, result – get a first). He obtained PhD at GUT Faculty of Machine Building (1988, result – get a first), DSc at GUT Faculty of Mechanical Engineering (ME) (2002, result – get a first), and professor’s title – w 2013 r. In 2015 r. he became full professor, and since 2019 - professor.His research area includes:...
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Synthesis, molecular structure, and metabolic stability of new series of N' -(2-alkylthio-4-chloro-5-methylbenzenesulfonyl)-1-(5-phenyl-1 H -pyrazol-1-yl)amidine as potential anti-cancer agents
PublicationA series of new N'-(2-alkylthio-4-chloro-5-methylbenzenesulfonyl)-1-(5-phenyl-1H-pyrazol-1-yl)amidine 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 studied compounds display selective activity mainly against HCT-116 and HeLa cells. Thus, five compounds show selective cytotoxic...
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3 d 3 system – Comparison of Mn 4+ and Cr 3+ in different lattices
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Ultrasound assisted synthesis of 3-alkynyl substituted 2-chloroquinoxaline derivatives: their in silico assessment as potential ligands for N-protein of SARS-CoV-2
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Janusz Smulko prof. dr hab. inż.
PeopleHe was born on April 25, 1964 in Kolno. He graduated in 1989 with honors from the Faculty of Electronics at Gdańsk University of Technology, specialising in measuring instruments. In 1989 he took second place in the Red Rose competition for the best student in the Pomerania Region. Since the beginning of his career ha has been associated with Gdańsk University of Technology: research assistant (1989-1996), Assistant Professor (1996-2012),...
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Kidney morphology and renal expression of aquaporins 2, 3 and 4 during cerulein – Induced chronic pancreatitis in pigs
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Series of MI[Co(bpy)3][Mo(CN)8]·nH2O (MI = Li (1), K (2), Rb (3), Cs (4); n = 7−8) Exhibiting Reversible Diamagnetic to Paramagnetic Transition Coupled with Dehydration−Rehydration Process
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Photophysical properties of 3-[2-(N-phenylcarbazolyl)benzoxazol-5-yl]alanine derivatives – experimental and theoretical studies
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Carbonic anhydrase inhibitors. Synthesis, and molecular structure of novel series N-substituted N'-(2-arylmethylthio-4-chloro-5- methylbenzenesulfonyl)guanidines and their inhibition of human cytosolic isozymes I and II and the transmembrane tumor-associated isozymes IX and XII
PublicationA series of novel N-substituted N'-(2-arylmethylthio-4-chloro-5-methylbenzenesulfonyl)guanidines 9 e41 have been synthesized and investigated as inhibitors of four isoforms of zinc enzyme carbonic anhydrase (CA.EC 4.2.1.1), that is the cytosolic CA I and II, and cancer-associated isozymes CA IX and XII. Against the human CA I investigated compounds showed KI in the range of 87e6506 nM, toward hCA II ranging from 7.8 to 4500 nM,...
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Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach
PublicationCrystal structures of (H2m4na)NO3 (1), (H2m4na)HSO4 (2), (H2m4na)2SiF6 (3) and (H2m4na)2SiF6*2H2O (4), where 2m4na = 2-methyl-4-nitroaniline, are presented. Two layers of interactions occur in the structures, N—H...O/F hydrogen bonds and interactions with the nitro group. Although diverse, hydrogen-bonding patterns are compared with each other by means of interrelations among elementary graph-set descriptors and descriptors of hydrogen-bonding...
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Novel N-(aryl/heteroaryl)-2-chlorobenzenesulfonamide derivatives: synthesis and anticancer activity evaluation
PublicationA new series of N-(aryl/heteroaryl)-2-chlorobenzenesulfonamide derivatives 4-21 have been synthesized, and evaluated at the National Cancer Institute (USA) for their in vitro activities against a panel of 60 different human cancer cell lines. Among them, compounds 16, 20 and 21 exhibited remarkable cytotoxic activity against numerous human cancer cell lines. We found that sulfonamide derivative 21 appeared to be more selective...
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Preparation and evaluation of 1,3-alternate 25,27-dibenzyloxy-26,28-bis-[3-propyloxy]-calix[4]arene - bonded silica stationary phase for high performance liquid chromatography
PublicationOtrzymano nową fazę stacjonarną na bazie dibenzyloksy pochodnej kaliks[4]arenu w konformacji 1,3-naprzemianległej, chemicznie związaną z żelem krzemionkowym. Przeprowadzano badania selektywności i sprawności tej fazy w rozdzielaniu izomerów konstytucyjnych benzenu i pochodnych fenoli. Zaprezentowano wyniki badania wpływu pH fazy ruchomej oraz stężenia metanolu na zdolność rozdzielczą nowej fazy stacjonarnej.
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N-(2-Arylmethylthio-4-Chloro-5-Methylbenzenesulfonyl)amide Derivatives as Potential Antimicrobial Agents—Synthesis and Biological Studies
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Dipole-bound anions supported by charge-transfer interaction: Anionic states of HnF3?nN ? BH3 and H3N ? BHnF3?n (n = 0, 1, 2, 3)
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Sławomir Milewski prof. dr hab. inż.
PeopleSławomir Milewski, born in 1955 in Puck, Poland, graduated in 1979 in Chemistry from the Faculty of Chemistry, Gdańsk University of Technology (GUT). In 1984 was employed at the Department of Pharmaceutical Technology and Biochemistry. In 1985 he got his PhD, in 1994 became a DSc (habilitation) and in 2002 got the professorship in chemical sciences. Currently he is a full professor and Head of the Department of Pharmaceutical Technology...
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A Novel [4+2] Cycloaddition Reaction Involving Lawesson’s Reagent. Structure and Specific Fragmentations of a New Cyclic 1,2-Thiaphosphinane-4-one
PublicationA crude morpholine enamine of acetone treated with Lawesson’s reagent unexpectedly yielded a six-membered thiaphosphinane-4-one. This compound is the first example of a new class of heterocycles. It has been proven that it is formed from 4-methyl-2-morpholino-1,3-pentadiene which is usually present in crude morpholine enamine batches. A mechanism of this regioselective reaction was postulated and a characteristic chair-like conformation...
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Włodzimierz Przybylski prof. dr inż.
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Krzysztof Nyka dr hab. inż.
PeopleKrzysztof Nyka, received MSc (1986) PhD (2002) and DSc (2020) degrees in telecommunication and electrical engineering from the Faculty of Electronics, Telecommunications and Informatics (ETI) of Gdańsk University of Technology (GUT), Poland. He is currently an Associate Professor at the Department of Microwaves and Antenna Engineering, Faculty of ETI, GUT. Before his academic career, he worked for the electronic industry (1984-1986). Research...
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Preparation and photocatalytic properties of BaZrO 3 and SrZrO 3 modified with Cu 2 O/Bi 2 O 3 quantum dots
PublicationIn this study, we report a novel method of BaZrO3 and SrZrO3 surface modification by two different types of quantum dots (QDs, Cu2O and Bi2O3), which improved the photocatalytic performance of the obtained materials under UV-Vis light irradiation. Pristine BaZrO3 and SrZrO3 were prepared by the hydrothermal method. The deposition of Cu2O- and Bi2O3-QDs was carried out by chemical reduction. The morphology of the nanoparticles was...
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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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In the search for experimental and quantumchemical evidence for zwitterionic nature of (2 E )-3-[4-(dimethylamino)phenyl]-2-nitroprop-2-enenitrile – An extreme example of donor–π–acceptor push–pull molecule
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Fault diagnosis in electronic circuits based on bilinear transformation in 3-D and 4-D spaces
PublicationPrzedstawiono ideę nowych metod diagnostycznych 3-D i 4-D opartych na przek-ształceniu biliniowym. Metody te bazują na transformacjach operujących odpo-wiednio w trzy i czterowymiarowych przestrzeniach funkcji układowych. Dlatych metod omówiono algorytm lokalizacji i identyfikacji pojedynczych uszko-dzeń parametrycznych w liniowych układach elektronicznych oraz algorytm lo-kalizacji i identyfikacji pojedynczych uszkodzeń...
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Synthesis, Molecular Structure, Anticancer Activity, and QSAR Study of N-(aryl/heteroaryl)-4-(1H-pyrrol-1-yl)Benzenesulfonamide Derivatives
PublicationA series of N-(aryl/heteroaryl)-4-(1H-pyrrol-1-yl)benzenesulfonamides were synthesized from 4-amino-N-(aryl/heteroaryl)benzenesulfonamides and 2,5-dimethoxytetrahydrofuran. All the synthesized compounds were evaluated for their anticancer activity on HeLa, HCT-116, and MCF-7 human tumor cell lines. Compound 28, bearing 8-quinolinyl moiety, exhibited the most potent anticancer activity against the HCT-116, MCF-7, and HeLa cell lines,...
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Thermal decomposition of [Cd{SSi(OBut)3}(S2CNC4H8)]2 to CdS “micro-noodles”
PublicationThis work presents studies on thermal degradation of novel heteroleptic complex possessing mixed S-donor ligands, [Cd{SSi(OBut)3}(S2CNC4H8)]2 using TGA, DSC, TGA-IR, SEM and XRD methods.
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Studies on the formation of formaldehyde during 2-ethylhexyl 4-(dimethylamino)benzoate demethylation in the presence of reactive oxygen and chlorine species
PublicationIn order to protect the skin from UV radiation, personal care products (PCPS) often contain chemical UV-filters. These compounds can enter the environment causing serious consequences on the water ecosystems. The aim of this study was to examine, the effect of different factors, such as UV light, the presence of NaOCl and H2O2 on the formaldehyde formation during popular UV filter, 2-ethylhexyl 4-(dimethylamino)benzoate (ODPABA)...
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Effects of Dietary n–3 and n–6 Polyunsaturated Fatty Acids in Inflammation and Cancerogenesis
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Experimental and theoretical studies on the photodegradation of 2-ethylhexyl 4-methoxycinnamate in the presence of reactive oxygen and chlorine species
Publication2-Ethylhexyl 4-methoxycinnamate (EHMC) is one of the most commonly used sunscreen ingredient. In this study we investigated photodegradation of EHMC in the presence of such common oxidizing and chlorinating systems as H2O2, H2O2/HCl, H2O2/UV, and H2O2/HCl/UV. Reaction products were detected by gas chromatography with a mass spectrometric detector (GC-MS). As a result of experimental studies chloro-substituted 4-methoxycinnamic...
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Deprotonation of N-phenacyl- and N-acetonyl-4-cyanopyridinium halides with 1,4-diazabicyclo[2,2,2]octane
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Mechanism of Isomerization and Acid-Induced Transformations of 3-Hydroxy-4,4'-dimethoxy-3'-methyl-3-oxo-7,7'-bis(piperidino-carbonyloxy)-2,2'-spirobi-[2H,2'H,3H,3'H-benzo[b]thiophene]. Unusual Equilibrium between the Spiro and 3-Hydroxy-benzothiophene Systems.
PublicationStwierdzono, że 3'-hydroksy-4,4'-dimetoksy-3'-metylo-3-okso-7,7'-bis(piperydynokarbonyloksy)-2,2'-spirobi[2H,2'H,3H,3'H-benzo[b]tiofen] występuje w roztworach postaci mieszaniny dwóch diastereoizomerów pozostających w dynamicznej równowadze. Mechanizm tej równowagi oparty jest na odwracalnym otwarciu pierścienia z 1,5 przeniesieniem protonu i utworzeniu przjściowej formy 3-hydroksybenzotiofenu.
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Electron-Induced Decomposition of 5-Bromo-4-thiouracil and 5-Bromo-4-thio-2′-deoxyuridine: The Effect of the Deoxyribose Moiety on Dissociative Electron Attachment
PublicationWhen modified uridine derivatives are incorporated into DNA, radical species may form that cause DNA damage. This category of molecules has been proposed as radiosensitizers and is currently being researched. Here, we study electron attachment to 5-bromo-4-thiouracil (BrSU), a uracil derivative, and 5-bromo-4-thio-20 -deoxyuridine (BrSdU), with an attached deoxyribose moiety via the N-glycosidic (N1-C) bond. Quadrupole mass spectrometry...