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Search results for: x-ray crystallography
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X-ray diffractometry results of the Sr0.95Ti0.30Fe0.70O3-d material before and after H2-TPR measurement
Open Research DataThis dataset contains results of X-ray diffractometry mesurement (XRD) of the Sr0.95Ti0.30Fe0.70O3-d material. The phase composition of the investigated powders was analyzed by XRD at room temperature. The X-ray diffractometry (XRD) technique was used to determine the phase composition of the fabricated powder and powder after H2-TPR (temperature programmed...
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X-ray diffraction spectra of modification of TiO2 nanotubes by graphene - strontium and cobalt molybdate perovskite
Open Research DataData show XRD results for strontium and cobalt molybdate-modified nanotubes that were also decorated with graphene oxide. The crystalline phases were characterized by X-ray diffractometer (Philips X”Pert with detector X’Celerator Scientific).
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X-ray diffraction (XRD) of pristine bismuth oxide (Bi2O3) and gadolinium oxide (Gd2O3) structures
Open Research DataData contain results from X-ray diffraction (XRD) measurements of pristine Bi2O3 and Gd2O3 structures using Aeris diffractometer (Malvern Panalytical, Malvern, UK) with Cu-Kα radiation (λ = 1.544 Å)
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Reduction of the strontium titanate doped by Ytrium ceramics observed by X-ray photoemission spectroscopy method
Open Research DataYtrium-doped strontium titanate (YSTF) ceramics materials were manufactured by three various methods: 1) standard solid-state reaction method from Y2O3 (Sigma Aldrich, 99,9%), TiO2 (Sigma Aldrich, 99%) and SrCO3 (Sigma Aldrich,98%), 2) Pechini method, 3) wet method.
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X-ray diffraction spectra of nitrogen-doped carbon in hybrid materials containing praseodymium oxide
Open Research DataX-ray powder diffraction patterns of samples were carried out by Philips X’Pert diffractometer, which was radiated by graphite monochromatized Cu Kα (l equal 1.540598). The operating voltage was maintained at 40 kV, the current was maintained at 30 mA and analyzed in the range from 20° to 90°. The data presented confirmed the presence of the PrBSCF...
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The structure of 50(2Bi2O3-V2O5)-50SrB4O7 measured with X-ray diffraction method during heating
Open Research DataThe structure changes of 50(2Bi2O3-V2O5)-50SrB4O7 glass occurred during increase in temperature was measured by XRD.
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Data obtained by computation for X-ray imaging of grating without magnification using oriented Gaussian beams
Open Research DataThe propagation of X-ray waves through an optical system consisting of grating and X-ray refractive lenses is considered. In this approach, the propagating wave is represented as a superposition of the oriented Gaussian beams. The direction of wave propagation in each Gaussian beam is consistent with the local propagation direction of the X-ray wavefront.
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X-ray photoelectron spectroscopy (XPS) results for nickel(II) oxide (NiO) functionalized borophene and boron
Open Research DataThis dataset contain X-ray photoelectron spectroscopy (XPS) results for nickel(II) oxide (NiO) functionalized borophene before and after oxygen evolution reacion (OER) nad bulk boron.
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X-ray Photoelectron Spectroscopy (XPS) results of bulk boron and borophene after the ball-milling process
Open Research DataThese data contain X-ray Photoelectron Spectroscopy (XPS) results of boron and borophene nanoflakes induced during ball milling at rotation speed of 450 rpm, 6 h and mass loading of 1g.
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X-ray diffraction (XRD) patterns of nickel(II) oxide (NiO) functionalized borophene and bulk boron
Open Research DataThese data include X-ray diffration (XRD) patterns of nickel(II) oxide (NiO) functionalized borophene before and after oxygen evolution reaction (OER), bulk boron (B), graphiic foil (GF) and nickel(II) oxide nanoparticles (NiO).
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X-ray diffraction (XRD) of silica-coated bismuth oxide (Bi2O3) and gadolinium oxide (Gd2O3) structures
Open Research DataData contain results from X-ray diffraction (XRD) measurements of pristine Bi2O3 and Gd2O3 structures using Aeris diffractometer (Malvern Panalytical, Malvern, UK) with Cu-Kα radiation (λ = 1.544 Å)
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X-ray diffraction (XRD) of silica-coated bismuth oxide/gadolinium oxide (Bi2O3+Gd2O3) structures
Open Research DataData contain results from X-ray diffraction (XRD) measurements of pristine Bi2O3 and Gd2O3 structures using Aeris diffractometer (Malvern Panalytical, Malvern, UK) with Cu-Kα radiation (λ = 1.544 Å)
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Structure evolution of V2O5 thin films deposited on silicon substrate - High-Temperature X-ray Diffraction
Open Research DataThe DataSet contains the XRD patterns of V2O5 thin films deposited on silicon substrates (111). The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The sol was deposited on the silicon substrate. The structure was measured in-situ during heating between 50-800°C under...
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X-ray Photoelectron Spectroscopy studies of citric acid adsorption on aluminium alloy 5754 in alkaline media
Open Research DataThis dataset contains the results of high-resolution XPS obtained during evaluation of high corrosion inhibition efficiency of citric acid towards aluminium alloy 5754 in bicarbonate buffer pH=11. The exposition duration of samples to electrolytic environment was 100 min. Each sample was exposed at different citric acid concentration ranging from 0...
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X-ray Photoelectron Spectroscopy studies of various carboxylic acids adsorption on aluminium alloys in alkaline media
Open Research DataThis dataset contains the results of high-resolution XPS studies obtained during evaluation of high corrosion inhibition efficiency of various carboxylic acids towards aluminium alloy 5754 in bicarbonate buffer pH=11.
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Ex-situ XRD (X-ray Diffraction) results for electrodes under different charge/discharge states
Open Research DataEx-situ XRD was employed to analyze the energy storage mechanism of CPMD in ZICs system. The ZICs were firstly charged to 1.8 V from the open circuit voltage (at around 1.3 V), then discharge to 1.0 V and 0.2 V, and finally recharged to 1.0 V and 1.8 V. Sample abbreviations (CPMD) are in agreement with the markings used in the linked publication.
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XPS (X-ray photoelectron spectroscopy) of titanium dioxide coated nickel foams and heated 400,500, 600C
Open Research DataThis data set contains XPS spectra recorded for nickel foams coated with titanium dioxide and heated at 400, 500 and 600 degrees celcius.
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X-ray diffraction (XRD) and particle size distribution (PSD) data of iron oxide (Fe3O4) - magnetite particles
Open Research DataDataset presenting X-ray diffractogram and particle size distribution of nanomagnetite (Fe3O4) iron oxide particles purchased from Sigma Aldrich (637106).X-ray diffraction study was performed with a PRO X-ray diffractometer (X’Pert PRO Philips diffractometer, Co. Ka radiation, Almelo, Holland), while PSD was determined using laser diffraction technique...
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The structure of strontium–borate glass-ceramics containing crystalites of Bi2VO5.5. measured with X-ray diffraction and SEM methods
Open Research DataThe structure of strontium–borate glass-ceramics containing Bi2VO5.5 crystallites was measured by XRD and SEM.
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Structure evolution of V2O5 thin films deposited on quartz glass substrate - High-Temperature X-ray Diffraction
Open Research DataThe DataSet contains the XRD patterns of V2O5 thin films deposited on guartz glass. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The sol was deposited on the quartz glass substrate. The structure was measured in-situ during heating between 50-800°C under synthetic...
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The structure of strontium–borate glasses and glass-ceramics containing nanocrystallites of Bi2VO5.5. measured with X-ray diffraction method
Open Research DataThe structure of strontium–borate glasses and glass-ceramics containing Bi2VO5.5 nanocrystallites was measured by XRD.
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Data obtained by computation for X-ray imaging of grating with magnification factor equal 2 using oriented Gaussian beams
Open Research DataThe propagation of X-ray waves through an optical system consisting of grating and X-ray refractive lenses is considered. In this approach, the propagating wave is represented as a superposition of the oriented Gaussian beams. The direction of wave propagation in each Gaussian beam is consistent with the local propagation direction of the X-ray wavefront.
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Data obtained by computation for X-ray imaging of grating with magnification factor equal 4 using oriented Gaussian beams
Open Research DataThe propagation of X-ray waves through an optical system consisting of grating and X-ray refractive lenses is considered. In this approach, the propagating wave is represented as a superposition of the oriented Gaussian beams. The direction of wave propagation in each Gaussian beam is consistent with the local propagation direction of the X-ray wavefront.
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Data obtained by computation for X-ray imaging of grating with magnification factor equal 8 using oriented Gaussian beams
Open Research DataThe propagation of X-ray waves through an optical system consisting of grating and X-ray refractive lenses is considered. In this approach, the propagating wave is represented as a superposition of the oriented Gaussian beams. The direction of wave propagation in each Gaussian beam is consistent with the local propagation direction of the X-ray wavefront.
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X-ray diffraction (XRD) of bulk boron and borophene flakes after the ball-milling process at different operating parameters
Open Research DataThese data include X-ray diffraction patterns of bulk boron and borophene obtained during ball milling at different rotation speeds, time and mass loadings. The data were collected to investigate the crystal structure of the studied materials.
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The structure of strontium–borate glasses and glass-ceramics containing bismuth and vanadium oxides measured with X-ray diffraction method
Open Research DataThe structure of strontium–borate glasses and glass-ceramics containing bismuth and vanadium oxides was measured by XRD.
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Selected aspects of modern X-ray structural analysis 2024
e-Learning CoursesSelected Aspects of Modern X-ray Structural Analysis
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Selected Aspects of Modern X-ray Structural Analysis 2023
e-Learning CoursesSelected Aspects of Modern X-ray Structural Analysis
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Ultrasonic wave propagation, digital image correlation and X-ray micro-computed tomography measurements of concrete during splitting (cube #3)
Open Research DataThe DataSet contains the results of the mechanical behaviour of a concrete cube under the splitting test. The cube had dimensions 70 x 70 x 70 cm3 and was made of concrete with the following ingredients: cement type CEM I 42.5R (330 kg/m3), water (165 kg/m3), aggregate 0/2 mm (710 kg/m3), aggregate 2/8 mm (664 kg/m3), aggregate 8/16 mm (500 kg/m3),...
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Ultrasonic wave propagation, digital image correlation and X-ray micro-computed tomography measurements of concrete during splitting (cube #1)
Open Research DataThe DataSet contains the results of the mechanical behaviour of a concrete cube under the splitting test. The cube had dimensions 70 x 70 x 70 cm3 and was made of concrete with the following ingredients: cement type CEM I 42.5R (330 kg/m3), water (165 kg/m3), aggregate 0/2 mm (710 kg/m3), aggregate 2/8 mm (664 kg/m3), aggregate 8/16 mm (500 kg/m3),...
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Ultrasonic wave propagation, digital image correlation and X-ray micro-computed tomography measurements of concrete during splitting (cube #4)
Open Research DataThe DataSet contains the results of the mechanical behaviour of a concrete cube under the splitting test. The cube had dimensions 70 x 70 x 70 cm3 and was made of concrete with the following ingredients: cement type CEM I 42.5R (330 kg/m3), water (165 kg/m3), aggregate 0/2 mm (710 kg/m3), aggregate 2/8 mm (664 kg/m3), aggregate 8/16 mm (500 kg/m3),...
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Ultrasonic wave propagation, digital image correlation and X-ray micro-computed tomography measurements of concrete during splitting (cube #2)
Open Research DataThe DataSet contains the results of the mechanical behaviour of a concrete cube under the splitting test. The cube had dimensions 70 x 70 x 70 cm3 and was made of concrete with the following ingredients: cement type CEM I 42.5R (330 kg/m3), water (165 kg/m3), aggregate 0/2 mm (710 kg/m3), aggregate 2/8 mm (664 kg/m3), aggregate 8/16 mm (500 kg/m3),...
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XPS (X-ray photoelectron spectroscopy) spectra and high-resolution spectra of C 1 s and O 1 s of the PCMCA-X (potassium citrate derived porous carbon materials obtained at various temperatures)
Open Research DataThese data include XPS full spectra and high-resolution spectra of C 1 s and O 1 s of the (potassium citrate derivedporous carbon material obtained at 700 °C), PCMCA-800 (potassium citrate derived porous carbon material obtained at 800 °C), PCMCA (potassium citrate derived porous carbon material obtained at 900 °C). The elemental composition on the...
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TEM (transmission electron microscopy) images and elemental mapping EDX (energy dispersive X-ray spectroscopy) of bulk boron and borophene obtained during ball milling
Open Research DataThese data contain TEM (transmission electron microscopy) images with corresponding elemental mapping EDX of bulk boron and borophene flakes after the ball-milling process (450 rpm, 6 h, 1 g). The data were collected to investigate the structure and morphology of the materials.
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SEM (Scanning Electron Microscopy) and SEM-EDS (Scanning Electron Microscopy with Energy Dispersive X-ray Spectroscopy) images of nickel (Ni) foam as received, after photocatalysis and after oxidation at 500_C.
Open Research DataThis dataset contains SEM (Scanning Electron Microscopy) and SEM-EDS (Scanning Electron Microscopy with Energy Dispersive X-ray Spectroscopy) images of Ni (nickel) foam as received from the supplier, after photocatalytic treatment and after oxidation at 500C. The detailed equipment and measurement data was described in "readme SEM.txt" file
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XRD (X-ray diffraction) patterns of WS2/userGOx (composites of tungsten disulfide and ultrafast self-expanded and reduced graphene oxide), ex-WS2 (exfoliated tungsten disulfide) and GO (graphene oxide)
Open Research DataThese data contain XRD (X-ray diffraction) patterns of WS2/userGOx (composites of tungsten disulfide and ultrafast self-expanded and reduced graphene oxide), ex-WS2 (exfoliated tungsten disulfide) and GO (graphene oxide). The data were collected for samples obtained from three ex-WS2:GO dispersions - with 1:1, 1:2, and 2:1 weight ratios.
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Jarosław Chojnacki prof. dr hab. inż.
PeopleBorn in 1961 in Bydgoszcz, professional education started at the Chemical Technical Highschool (I. Łukasiewicz). He graduated from the Faculty of Chemistry at the Gdańsk University of Technology in 1986, defending the work on ion-selective electrodes. Subsequent studies were related to organic and siliconorganic synthesis and, from 2002 year on, to crystallography. The doctoral thesis concerned the Silanotiolanes of coinage metals...
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Halogen bonded polypseudorotaxanes based on a pillar[5]arene host
PublicationTwo crystalline supramolecular polypseudorotaxanes were obtained by combining permethylated pillar[5]arene as a macrocyclic wheel with 1,4-bis(1-imidazolyl)butane and 1,4-bis(iodoethynyl)benzene or 1,4-diiodo-1,3-butadiyne linked by C–I⋯N halogen bonds and creating a polyrotaxane axis. The resulting highly ordered supramolecular arrays were characterized by X-ray crystallography.
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Explainable machine learning for diffraction patterns
PublicationSerial crystallography experiments at X-ray free-electron laser facilities produce massive amounts of data but only a fraction of these data are useful for downstream analysis. Thus, it is essential to differentiate between acceptable and unacceptable data, generally known as ‘hit’ and ‘miss’, respectively. Image classification methods from artificial intelligence, or more specifically convolutional neural networks (CNNs), classify...
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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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Agnieszka Witkowska dr hab. inż.
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Synthesis and Spectroscopic Properties of New Bis-tetrazoles
PublicationSyntheses of N,N'-phenyltetrazole podands link with aliphatic chains containing oxygen, nitrogen and sulphur atoms, are described. The complexing properties of these compounds towards metal cations (Fe2+, Cu2+, Zn2+, Co2+, Ni2+) were investigated by absorption and infrared spectroscopy. The UV-Vis titrations were performed to estimate the stability constant values of the respective complexes with Cu2+ ion. Changes in UV-Vis absorption...
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Electrochemically Obtained TiO2/CuxOy Nanotube Arrays Presenting a Photocatalytic Response in Processes of Pollutants Degradation and Bacteria Inactivation in Aqueous Phase
PublicationTiO2/CuxOy nanotube (NT) arrays were synthesized using the anodization method in the presence of ethylene glycol and different parameters applied. The presence, morphology, and chemical character of the obtained structures was characterized using a variety of methods—SEM (scanning electron microscopy), XPS (X-ray photoelectron spectroscopy), XRD (X-ray crystallography), PL (photoluminescence), and EDX (energy-dispersive X-ray spectroscopy)....
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Charge-assisted N(+)–H···(−)S hydrogen bonds in the crystal structure of selected diammonium thiophenolates.
PublicationNew salts of thiophenol with three flexible aliphatic diamines H2N(CH2)nNH2 (n = 2, 4 and 6) have been synthesized and characterized by elemental analyses, IR spectroscopy and X-ray crystallography in order to analyze their supramolecular architecture. Structural analyses indicate that in the crystals, proton transfer has occurred, with the –SH group giving (+)N–H···S(−) hydrogen bonding interaction. The structure of compound 1...
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Damian Rosiak dr inż.
PeopleEducation 2010–2014: Gdansk University of Technology, Chemical Faculty (Eng.) field of study: biotechnology specialty: drug biotechnology 2014–2015: Gdansk University of Technology, Chemical Faculty (M.Sc.) field of study: biotechnology specialty: drug biotechnology 2015–2020: Gdansk University of Technology, Department of Inorganic Chemistry (Ph.D.) discipline: chemical sciences specialty: inorganic chemistry Scientific...
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Syntheses and Structures of Transition Metal Complexes with Phosphanylphosphinidene Chalcogenide Ligands
PublicationThe reactivity of the phosphanylphosphinidene complex [(DippN)2W(Cl)(η2-P-PtBu2)]− (1) toward chalcogens (Ch = Se, S) was studied. Reactions of stoichiometric amounts of 1 with chalcogens in DME yielded monomeric tungsten complexes with phosphanylphosphinidene chalcogenide ligands of the formula tBu2P−P−Ch (Ch = Se (in 2) and S (in 5)), which can be regarded as products of the addition of a chalcogen atom to a P=W bond in starting...
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Andrzej Okuniewski dr inż.
PeopleEducation 2010-2014: Department of Inorganic Chemistry, Faculty of Chemistry, Gdańsk University of TechnologyPhD in chemical sciences (chemical sciences - chemistry, inorganic chemistry) 2009-2010: Faculty of Chemistry, Gdańsk University of TechnologyMaster of Chemistry (applied chemistry) 2005-2009: Faculty of Chemistry, Gdańsk University of Technologychemical engineer (applied chemistry) 2002-2005: II High School Władysław Pniewski...
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A comparison of structural and luminescence properties of lead(II) coordination polymers with isomeric thiophenecarboxylate ligands
PublicationTwo new lead(II) coordination polymers with isomeric thiophenecarboxylates, namely [Pb(2tpCOO)2]n (1) and [Pb(3tpCOO)2(H2O)]n (2) (2tpCOO− = thiophene-2-carboxylate, 3tpCOO− = thiophene-3-carboxylate), were synthesized and characterized. Single crystal X-ray crystallography revealed a distorted pentagonal pyramidal geometry {PbO6} around Pb in 1 and a distorted dodecahedral geometry {PbO8} in 2. The distortion derived from the...
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New 2-[(4-Amino-6-N-substituted-1,3,5-triazin-2-yl)methylthio]-N-(imidazolidin-2-ylidene)-4-chloro-5-methylbenzenesulfonamide Derivatives, Design, Synthesis and Anticancer Evaluation
PublicationIn the search for new compounds with antitumor activity, new potential anticancer agents were designed as molecular hybrids containing the structures of a triazine ring and a sulfonamide fragment. Applying the synthesis in solution, a base of new sulfonamide derivatives 20–162 was obtained by the reaction of the corresponding esters 11–19 with appropriate biguanide hydrochlorides. The structures of the compounds were confirmed...
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The Metal-Free Regioselective Deuteration of 2-Methylquinolin-8-ol and 2,5-Dimethylquinolin-8-ol, Spectroscopic and Computational Studies
PublicationAbstract: Aim and Background: Introducing deuterium to a molecule is of interest to a wide variety of research, including investigation of reaction mechanisms or kinetics, analysis of drug metabolism, structural elucidation of molecules, and syntheses of isotopically labeled materials used for NMR spectroscopy and medicinal research. Objective: The transition-metal-free regioselective deuteration of 2-methylquinolin-8-ol...