Filtry
wszystkich: 2162
wybranych: 1687
-
Katalog
- Publikacje 1687 wyników po odfiltrowaniu
- Czasopisma 6 wyników po odfiltrowaniu
- Osoby 180 wyników po odfiltrowaniu
- Wynalazki 3 wyników po odfiltrowaniu
- Projekty 18 wyników po odfiltrowaniu
- Zespoły Badawcze 1 wyników po odfiltrowaniu
- Kursy Online 47 wyników po odfiltrowaniu
- Wydarzenia 2 wyników po odfiltrowaniu
- Dane Badawcze 218 wyników po odfiltrowaniu
Filtry wybranego katalogu
wyświetlamy 1000 najlepszych wyników Pomoc
Wyniki wyszukiwania dla: ligandy n-donorowe
-
Zeta potential and effective diameter of n-tetradecane emulsions in n-propanol solutions and in the presence of lysozyme
Publikacja -
Wpływ techniki ściegu odpuszczającego na spawalność stali S355G10+N pod wodą
PublikacjaW artykule scharakteryzowano idee spawania mokrego oraz stosowanie techniki ściegów odpuszczających. Przedstawiono wpływ zastosowania techniki ściegu odpuszczającego na skłonność stali podwyższonej wytrzymałości S355G10+N do pękania zimnego wyrażoną twardością strefy wpływu ciepła w warunkach spawania podwodnego. Badania przeprowadzono na próbkach spawanych techniką mokrą elektrodami otulonymi (MMA). W wyniku zrealizowanych badań...
-
Trimethylamine N-oxide and the reverse cholesterol transport in cardiovascular disease: a cross-sectional study
PublikacjaThe early atherosclerotic lesions develop by the accumulation of arterial foam cells derived mainly from cholesterol-loaded macrophages. Therefore, cholesterol and cholesteryl ester transfer protein (CETP) have been considered as causative in atherosclerosis. Moreover, recent studies indicate the role of trimethylamine N-oxide (TMAO) in development of cardiovascular disease (CVD). The current study aimed to investigate the association...
-
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...
-
Phosphinoborenium cations stabilized by N-heterocyclic carbenes: synthesis, structure, and reactivity
PublikacjaPhosphinoborenium cations stabilized by N-heterocyclic carbenes (NHCs) were synthesized via the reaction of bromo(phosphino)boranes with NHCs. Their structures were investigated by heteronuclear magnetic resonance spectroscopy, X-ray diffraction, and density functional theory calculations. They possess a planar trigonal boron center directly bonded with the pyramidal phosphanyl group (PR2) and can be treated as cationic phosphinoboranes....
-
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...
-
Synthesis of 3-Carbamoyl b-Lactams via Manganese(III)-Promoted Cyclization of N-Alkenylmalonamides
PublikacjaManganese(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...
-
Synthesis of N-doped TiO2 nanoparticles with enhanced photocatalytic activity for 2,4-dichlorophenol degradation and H2 production
PublikacjaNitrogen-doped titanium dioxide (N-TiO2) nanoparticles were prepared using a modified sol-gel method. The as-prepared nanoparticles were characterized by state-of-the-art techniques for their optical, structural and morphological properties. The crystallite size, surface area and bandgap energy of reference TiO2 and N-TiO2 nanoparticles were found to be 16.1 and 10.9 nm, 83.6 and 131.8 m2 g−1 and 3.23 and 2.89 eV, respectively....
-
Interaction of amphotericin B and its low toxic derivative, N-methyl-N-D-fructosyl amphotericin B methyl ester, with fungal, mammalian and bacterial cells measured by the energy transfer method.
PublikacjaPochodna amfoterycyny B ( AMB) ester metylowy N-metylo-N-D-fruktozylo amfoterycyny B (MFAME) wykazuje szerokie spektrum i wysoką aktywność przeciwgrzybową wyjściowego amtybiotyku i równocześnie toksyczność mniejszą o dwa rzędy wielkości. Celem tej pracy było ustalenie czy obserwowane różnice między toksycznością pochodnej i wyjściowego antybiotyku wynikają z różnic w powinowactwie do błon komórkowych grzybów i komórek ssakowych....
-
N-Alkylation of D-glucosamine and 2-amino-2-deoxy-D-glucitol-6-phosphate
PublikacjaTematem pracy była synteza N-alkilowych pochodnych D-glukosaminy i 2-amino-2-deoxy-D-glukitolo-6-fosforanu
-
Modulo N Backoff Scheme for effective QoS differentiation and increased bandwidth utilization in IEEE 802.11 networks
PublikacjaThe paper presents a new "modulo N" channel access scheme for wireless Local Area Networks (WLANs). The novel solution derives from the Distributed Coordination Function (DCF) of the IEEE 802.11 standard, further elaborated as Enhanced Distribution Channel Access (EDCA) by the 802.11e draft specification. The main innovation concerns improvement of the binary exponential backoff scheme used for collision avoidance in 802.11 networks....
-
Fourier transform infrared spectroscopic and theoretical study of water interactions with glycine and its N-methylated derivatives
PublikacjaZbadano hydratację glicyny i jej metylowych pochodnych: N-metyloglicyny (NMG), N,N-dimetyloglicyny (DMG) i N,N,N-trimetyloglicyny (TMG) przy wykorzystaniu spektroskopii FTIR, z zastosowaniem cząsteczki HDO jako sondy molekularnej. Ilościowa wersja metody widm różnicowych pozwoliła na wyizolowanie widma wody zaburzonej przez substancję rozpuszczoną. Wyniki widmowe zostały skonfrontowane z obliczeniami teoretycznymi w ramach teorii...
-
Synthesis and biological evaluation of fluorinated N-benzoyl and N-phenylacetoyl derivatives of 3-(4-aminophenyl)-coumarin-7-O-sulfamate as steroid sulfatase inhibitors
PublikacjaIn the present work, we report convenient methods for the synthesis of 3-(4-aminophenyl)-coumarin-7-O-sulfamate derivatives N-acylated with fluorinated analogues of benzoic or phenylacetic acid as steroid sulfatase (STS) inhibitors. The design of these potential STS inhibitors was supported by molecular modeling techniques. Additionally, computational docking methods were used to determine the binding modes of the synthesized inhibitors...
-
Solvation and partial molar volumes of some transition metal cations in N,N-dimethylacetamide, triethylphosphate and acetonitrile.
PublikacjaW oparciu o precyzyjne pomiary gęstości roztworów nadchloranów metali przejściowych szeregu Mn(II)-Zn(II) w DMA, TEP i AN wyznaczono pozorne molowe oraz graniczne wartości cząstkowych molowych objętości sole w temperaturach 293, 298 i 303,15 K. Wyznaczone wartości rozdzielono na udziały jonowe. Przeanalizowano czynniki decydujące o wielkości cząstkowych molowych objętości solwatowanych kationów.
-
Biotrickling filtration of n-butanol vapors: process monitoring using electronic nose and artificial neural network
PublikacjaBiotrickling filtration is one of the techniques used to reduce odorants in the air. It is based on the aerobic degradation of pollutants by microorganisms located in the filter bed. The research presents the possibility of using the electronic nose prototype combined with artificial neural network for biofiltration process monitoring in terms of reduction in n-butanol concentration and odour intensity of treated air. The study...
-
Fabrication of toughened plastic using styrene butadiene rubber-poly (methyl methacrylate) interpenetrating polymer networks
PublikacjaA standard set of interpenetrating polymeric networks (IPNs) has been contrived using an elastomerstyrene butadiene rubber and a thermoplastic poly (methyl methacrylate) through sequential polymerization protocol. This low-cost material can be hopefully engaged as a toughened plastic with cocontinuous morphology. Different morphological protocols including Raman imaging are effectively utilized to envisage the effect of blend ratio...
-
N-(diphenoxyphosphoryl)succinimide:synthesis and reaction with alkoxides
PublikacjaReakcja sukcynoimidu z chlorkiem difenylofosforowym w obecności lda a prowadzi do powstania amidofosforanu. ta sama reakcja prowadzona w obecności wodorku sodu pozwala na otrzymanie fosforylowanego sukcynoimidu, który w reakcji z alkoholanami w nasteptwie otwarcia pierścienia, prowadzi do do analogów amidofosforanu z dobrymi wydajnościami.
-
Hydration of N-Hydroxyurea from Ab Initio Molecular Dynamics Simulations
PublikacjaN-Hydroxyurea (HU) is an important chemotherapeutic agent used as a first-line treatment in conditions such as sickle cell disease and β-thalassemia, among others. To date, its properties as a hydrated molecule in the blood plasma or cytoplasm are dramatically understudied, although they may be crucial to the binding of HU to the radical catalytic site of ribonucleotide reductase, its molecular target. The purpose of this work...
-
Charge-assisted N(+)–H···(−)S hydrogen bonds in the crystal structure of selected diammonium thiophenolates.
PublikacjaNew 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...
-
Electrochemical characterization of a composite comprising PEDOT/PSS and N doped TiO2 performed in aqueous and non-aqueous electrolytes
PublikacjaNitrogen doped titania (N-TiO2) was used as an inorganic component of composite electrodes containing poly(3,4-ethylenedioxythiophene) with poly(4-styrenesulphonate) PEDOT/PSS/N-TiO2. The composite materials were obtained by direct electrodeposition from an N-TiO2 suspension containing polyelectrolyte (NaPSS) and monomer EDOT. The electrodes were electrochemically tested in aqueous and non-aqueous electrolytes using cyclic voltammetry...
-
Dimeric structure of the N-terminal domain of PriB protein from Thermoanaerobacter tengcongensis solved ab initio
PublikacjaPriB is one of the components of the bacterial primosome, which catalyzes the reactivation of stalled replication forks at sites of DNA damage. The N-terminal domain of the PriB protein from the thermophilic bacterium Thermoanaerobacter tengcongensis (TtePriB) was expressed and its crystal structure was solved at the atomic resolution of 1.09 Å by direct methods. The protein chain, which encompasses the first 104 residues of the...
-
Cold Cracking Of Underwater Wet Welded S355G10+N High Strength Steel
PublikacjaWater as the welding environment determines some essential problems influencing steel weldability. Underwater welding of high strength steel joints causes increase susceptibility to cold cracking, which is an effect of much faster heat transfer from the weld area and presence of diffusible hydrogen causing increased metal fragility. The paper evaluates the susceptibility to cold cracking of the high strength S355G10+N steel used,...
-
Influence of B/N co-doping on electrical and photoluminescence properties of CVD grown homoepitaxial diamond films
PublikacjaBoron doped diamond (BDD) has great potential in electrical, and electrochemical sensing applications. The growth parameters, substrates, and synthesis method play a vital role in the preparation of semiconducting BDD to metallic BDD. Doping of other elements along with boron (B) into diamond demonstrated improved efficacy of B doping and exceptional properties. In the present study, B and nitrogen (N) co-doped diamond has been...
-
Novel N-(aryl/heteroaryl)-2-chlorobenzenesulfonamide derivatives: synthesis and anticancer activity evaluation
PublikacjaA 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...
-
Alternative approach to the solution of the momentum-space Schrödinger equation for bound states of the N-dimensional Coulomb problem
PublikacjaW pracy rozważono zagadnienie Schrödingera-Coulomba w R^N, N>=2, w reprezentacji pędowej. Radialne równanie całkowe występujące w stowarzyszonym zagadnieniu sturmowskim rozwiązano, stosując podane przez Ossiciniego symetryczne rozwinięcie typu Poissona funkcji Legendre'a drugiego rodzaju w szereg iloczynów wielomianów Gegenbauera. Następnie wykorzystano relację pomiędzy rozwiązaniami zagadnienia sturmowskiego oraz zagadnienia własnego...
-
Cis/trans conformational equilibrium across the N-methylphenylalanine2- N-methylphenylalanine3 peptide bond of arginine vasopressin analogs
Publikacja -
Molecular geometry and optical activity of N-nitroso-2,2,6,6-tetramethylpiperidines generated by spontaneous crystallization and inclusion complexation with optically active diols
PublikacjaTrzy N-nitrozo-2,2,6,6-tetrametylopiperydyny, których chiralność wynika z utrudnionej rotacji wokół wiązania N-N posiadającego częściowy charakter wiązania podwójnego poddano badaniom stereochemicznym i spektroskopowym. Badane związki tworzą kompleksy inkluzyjne z optycznie czynnymi gospodarzami - Taddolami, w których N-nitrozo-2,2,6,6-tetrametylopiperydyny przyjmują chiralną konformację co dowodzą ich widma CD wykonane w ciele...
-
Kwas stearidonowy C18:4 (n-3) - źródła roślinne i potencjalne znaczenie w żywieniu człowieka
PublikacjaPrzedmiotem publikacji jest omówienie znaczenia wielonienasyconych kwasów tłuszczowych (WNKT) w żywieniu człowieka, roli kwasu stearidonowego C18:4 n-3 (SDA) w łańcuchu metabolicznym i przedstawienie źródeł olejów roślinnych zawierających SDA. Na celowość stosowania roślinnych źródeł SDA w żywieniu człowieka wskazuje ogólny deficyt długołańcuchowych WNKT n-3 w typowej diecie europejskiej, związany głównie z małą popularnością produktów...
-
Evaluation of Partial Nitritation/Anammox (PN/A) Process Performance and Microorganisms Community Composition under Different C/N Ratio
PublikacjaA one-stage partial nitritation/anammox (PN/A) process with intermittent aeration is possible under sidestream conditions, but implementation in a mainstream is a challenge due to increased Carbon/Nitrogen (C/N) ratios in domestic wastewater. This study investigated the effect of C/N ratios on process efficiency and the effect of narrowing non-aeration time on process improvement at high chemical oxygen demand (COD) load. An increase...
-
Two isomorphic ZnII/CoII complexes with tri-tert-butoxysilanethiol and histamine, and (4-hydroxymethyl-1H-imidazole-κN)bis(tri-tert-butoxysilanethiolato-κ2O,S)zinc(II)
PublikacjaOtrzymano dwa izomorficzne kompleksy cynku(II) i kobaltu(II) z tri-tert-butoksysilanotiolem i histaminą oraz kompleks cynku(II) z tri-tert-butoksysilanotiolem i 4(5)-hydroksymetyloimidazolem. Scharakteryzowano strukturę otrzymanych kompleksów w ciele stałym.
-
Solid-phase synthesis and characterization of N-acetylated Gly-His-Lys analogues
PublikacjaZaprezentowano nowe analogi tripeptydu Gly-His-Lys (GHK), stanowiącego sekwencję naturalnie występującą w -II-łańuchu kolagenu, skąd jest uwalniany w stanach zapalnych i w procesach gojenia się ran. Gly-His-Lys jest szeroko stosowany na rynku kosmetycznym w połączeniu z kwasem palmitynowym, który ułatwia jego wnikanie w głąb skóry. Zaplanowane modyfikacje zawierały fragment Gly-X-Y (X=Met, Hyp, Hyp-Met, Gly-Hyp; Y=Lys, D-Lys) i...
-
Inhibition of impurities formation in the synthesis of N-alkyltheobromines stimulated by microwave irradiation. Cationic and anionic response of membrane electrodes
PublikacjaN-Alkyltheobromine (1-9) derivatives were obtained by reacting theobromine with appropriate alkyl halide under microwave irradiation at 100-150 W and by conventional synthesis. Formation of by-products of oxygen atom alkylation and 1-N-alkyltheobromine ring opening were considered. The presented compounds 1-5 have been studied as ion carriers in ion-selective membrane electrodes. Selectivity of these membranes was studied towards...
-
Performance Analysis of Multicast Video Streaming in IEEE 802.11 b/g/n Testbed Environment
PublikacjaThe aim of the work is to analyse capabilities and limitations of different IEEE 802.11 technologies (IEEE 802.11 b/g/n), utilized for both multicast and unicast video streaming transmissions directed to mobile devices. Our preliminary research showed that results obtained with currently popular simulation tools can be drastically different than these possible in real-world environment, so, in order to correctly evaluate performance...
-
The Effect of Oxygenated Diesel-N-Butanol Fuel Blends on Combustion, Performance, and Exhaust Emissions of a Turbocharged CRDI Diesel Engine
PublikacjaThe article deals with the effects made by using various n-butanol-diesel fuel blends on the combustion history, engine performance and exhaust emissions of a turbocharged four-stroke, four-cylinder, CRDI 1154HP (85 kW) diesel engine. At first, load characteristics were taken when running an engine with normal diesel fuel (DF) to have ‘baseline’ parameters at the two ranges of speed of 1800 and 2500 rpm. Four a fossil diesel (class...
-
Mathematical modelling of two-step nitrification-denitrification for treatment of sludge digester liquors: influence of nitrite (NO2-N) on the process kinetics
PublikacjaSeparate treatment of the sludge digester liquors is an alternative for expansion of the mainstream treatment line. In order to reduce the oxygen demand for nitrification and organic carbon demand for denitrification, a shortcut in the nitrogen conversion pathway has been promoted in recent years, i.e. nitrification-denitrification via NO2-N instead of NO3-N. Although NO2-N is a common intermediate product of nitrification and...
-
Synthesis and steroid sulfatase inhibitory activities of N-alkanoyl tyramine phosphates and thiophosphates
PublikacjaA series of phosphate and thiophosphate analogs based on the frameworks of N-alkanoyl tyramines have been synthesized and biologically evaluated. Their binding modes have been modeled using docking techniques. The inhibitory effects of the synthesized compounds were tested on STS isolated from the human placenta as well as the MCF-7, MDA-MB-231 and SkBr3 cancer cell lines. Most of the new STS inhibitors possessed potent activity...
-
The Synthesis of 3-Amino-pyrazine-2-carbohydrazide and 3-Amino-N'-methylpyrazine-2-carbohydrazide Derivatives
PublikacjaW poszukiwaniu biologicznie aktywnych związków otrzymano szereg pochodnych 3-Amino-pirazyno-2-karbohydrazydu i 3-Amino-N'-metylopirazyno-2-karbohydrazydu w wyniku reakcji hydrazydu aminopirazynoinowegokwasu z izocyjanianami, aldehydami, ketonami, CS2 i kwasem mrówkowym.
-
Photodegradation of phenol by UV/TiO2 and Vis/N,C-TiO2 processes: Comparative mechanistic and kinetic studies
PublikacjaPorównano drogę fotodegradacji w dwóch systemach badawczych: UV/TiO2 i Vis/N,C-TiO2. Zbadano efektywność degradacji fenolu, powstające produkty pośrednie oraz generowanie rodników hydoksylowych w przygotowanych układach badawczych. Wyniki badań wykazały porównywalne efektywności degradacji fenolu w zawiesinach: domieszkowany TiO2/Vis i TiO2 P-25/UV. Uzyskane wyniki wskazują również na odmienne drogi degradacji zanieczyszczeń w...
-
Preferencyjna solwatacja jonu kobaltu(II) w rozpuszczalnikach mieszanych N,N-dimetyloformamid-metanol i formamid-metanol
Publikacja.
-
Preferencyjna solwatacja jonu kobaltu(II) w rozpuszczalnikach mieszanych N,N-dimetyloformamid-metanol i formamid-metanol
Publikacja.
-
Feature Weighted Attention-Bidirectional Long Short Term Memory Model for Change Detection in Remote Sensing Images
PublikacjaIn remote sensing images, change detection (CD) is required in many applications, such as: resource management, urban expansion research, land management, and disaster assessment. Various deep learning-based methods were applied to satellite image analysis for change detection, yet many of them have limitations, including the overfitting problem. This research proposes the Feature Weighted Attention (FWA) in Bidirectional Long...
-
Unexpected Z/E isomerism of N-methyl-O-phosphothioyl benzohydroxamic acids, their oxyphilic reactivity and inertness to amines
PublikacjaThiophosphinoylation of N-methyl p-substituted benzohydroxamic acids using disulfanes (method A) or diphenylphosphinothioyl chloride (method B) provides only one conformer of the respective O-phosphothioyl derivative (Xray and NMR analysis). Undergoing the P-transamidoxylation reaction is an evidence of the reversibility of thiophosphinoylation. Only those products containing strong EWG substituents in the aroyl residue or bulky...
-
The effect of nitrogen on the structure and thermal properties of beryllium-containing Na-(Li)-Si-O-N glasses
PublikacjaTwo oxynitride glass series with the composition of 35Na2O-5BeO-(60-x)SiO2-xSi3N4 and 9Li2O- 27Na2O-5BeO-(59-x)SiO2-xSi3N4, were prepared. The glasses' topography and structure were studied by Scanning Electron Microscopy and Raman spectroscopy. The composition was analyzed by Inductively Coupled Plasma Optical Emission Spectrometer, SEM-EDS and nitrogen and oxygen elemental analyzer. Na-(Li)-Be-silicate glasses were found to contain...
-
Wpływ warunków spawania pod wodą na skłonność stali S355G10+N do tworzenia pęknięć zimnych
PublikacjaPrzedstawiono wpływ parametrów spawania pod wodą na spawalność stali o podwyższonej wytrzymałości S355G10+N. Pokazano również wpływ zastosowania techniki ściegu odpuszczającego na poprawę spawalności tej stali.
-
Facile synthesis and characterization of graphene and N-doped graphene by CVD method from liquid precursors for promising electrode materials
PublikacjaIn this study, high-quality and few-layered graphene was synthesized using the chemical vapor deposition (CVD) method from liquid sources. Two different liquid carbon sources, pyridine, and benzene, were used and deposited on nickel foam under heat conditions using a bubbler in a quartz tube. X-ray diffraction (XRD) and Raman analysis confirmed the crystalline properties of graphene and N-doped graphene, demonstrating the high...
-
The influence of the welding environment on the properties of Tekken joints made from S355J2C+N steel
PublikacjaThere are three main methods of underwater welding: dry, wet and intermediate between them, by using the local dry chamber. Due to low costs, the most common method is the wet welding with the use of covered electrodes. Water as a welding environment carries out a lot of problems. The first is limited visibility and instability of the welding arc. The biggest problem during underwater welding is high susceptibility to cold cracking,...
-
Programmed metalloporphyrins for self-assembly within light-harvesting stacks: 5,15-dicyano-10,20-bis(3,5-di-tert-butylphenyl)-porphyrinato zinc(II) and its push-pull 15-N,N-dialkylamino-5-cyano congeners obtained by a facile direct amination.
PublikacjaThe title dicyano compound was synthesized via cyanation and it self-assembles in nonpolar solvents giving red-shifted and broad absorption maxima just as the bacteriochlorophylls which are encountered in the light-harvesting organelles of early photosynthetic bacteria. In the crystal, stacks are formed through a hierarchic combination of π-stacking and a CNZn electrostatic interaction. Push−pull 15-N,N-dialkylamino-5-cyano congeners...
-
Core–shell excitation of isoxazole at the C, N, and O K-edges – an experimental NEXAFS and theoretical TD-DFT study
PublikacjaThe near-edge X-ray absorption fine structure (NEXAFS) spectra of the gas-phase isoxazole molecule have been measured by collecting total ion yields at the C, N, and O K-edges. The spectral structures have been interpreted using time-dependent density functional theory (TD-DFT) with the short-range corrected SRC2-BLYP exchange–correlation functional. Experimental and calculated energies of core excitations are generally in good...
-
(2,2'-Bipyridine)bis(tri-tert-butoxysilanethiolato-kS)lead(II) and (4,7-diphenyl-1,10-phenanthroline-k2N,N')bis(tri-tert-butoxysilanethiolato-kS)lead(II) benzene hemisolvate
PublikacjaWyznaczono i opisano struktury rentgenowskie tytułowych związków. Atom ołowiu w obu przypadkach wykazuje koordynację typu zniekształconej piramidy kwadratowej o rdzeniu PbON2S2 w której jeden z atomów siarki leży w pozycji osiowej. Struktury są stabilizowane przez oddziaływania międzycząsteczkowe typu pi-pi oraz C-H...pi.
-
Oznaczanie neurotoksyny, β-N-metylamino-L-alaniny (BMAA), w materiale biologicznym
Publikacjaβ-N-metylamino-L-alaniny (BMAA) jest naturalnie występującym niebiałkowym aminokwasem. W strukturze związku występuje grupa karboksylowa o pKa1 2,1 , pierwszorzędowa grupa aminowa o pKa2 6,5 i drugorzędowa grupa aminowa o pKa3 9,8. Przy fizjologicznych wartościach pH (7,4), w obecności CO2/HCo3-, BMAA tworzy węglanowe addukty (BMAA-α - NCO2 i BMAA-β-NCO2) o działaniu agonistycznym względem receptorów glumatinianu. Efektem jest...