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Wyniki wyszukiwania dla: CHEMICAL WEAPONS
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Oscillatory Phenomena in System with Bulk Luquid Membranes
PublikacjaOscylatory z grubowarstwowymi membranami ciekłymi zawierające jonowe surfakanty mogą być użyte do modelowania zjawisk oscylacyjnych zachodzących w membranach biologicznych. Stwierdzono, że zmiany temperatury mają silny wpływ na charakterystyki oscylacyjne. Zmienia się częstotliwość oscylacji i ukazują się nowe piki w układach zawierających nitrometan. Zbadano wpływ składu faz wodnych (stężenie surfaktanta i alkoholu) oraz materiału...
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The nature of emitting states in electroluminescence of polymeric films do-ped with anthracene andanthracene-based supramolecules
PublikacjaZaobserwowano nową odmianę bi-molekularnych stanów wzbudzenia elektronowego w polimerowych jednowarstwowych diodach EL z molekułami antracenu wbudowanymi bezpośrednio w matrycę poliwęglanową, jak i pośrednio przez ich włączenie jako grup chromoforowych w dużych makromolekułach rotaxanowych. Stwierdzono, że obok typowej emisji ekscymerowej pojawia się długofalowe pasmo elektromerowe. Pasmo to związane jest z emisją kolumbowsko związanych...
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Kinetics of photochromic reactions in a 10-membered dibenzoazo crown ether
PublikacjaPrzedstawiono rezultaty pomiarów kinetyki fotochromowych reakcji dla jednego z serii eterów koronowych zawierających fragment azobenzenowy. Badano 10-członową dibenzoazokoronę, która ulega odwracalnej foto i termicznej izomeryzacji, podobnie jak macierzysty azobenzen. Eksperymenty były prowadzone w matrycy pMMA. Reakcja izomeryzacji monitorowana była spektrofotometrycznie. Czynnik przedwykładniczy dla termicznej izomeryzacji cis-trans...
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Infrared response of multiwalled boron nitride nanotubes
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Calcium sulphate scaling in membrane distillation process
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Separation of saline oily wastewater by membrane distillation
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Application of vacuum membrane distillation for concentration of organic solutions‡
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Effect of carbon nanotube modification on poly (butylene terephthalate)-based composites
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The long-term studies of osmotic membrane distillation
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Fouling of nanofiltration membranes used for separation of fermented glycerol solutions
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The application of polypropylene membranes for production of fresh water from brines by membrane distillation
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The application of ultrafiltration for treatment of ships generated oily wastewater
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Microfiltration of post-fermentation broth with backflushing membrane cleaning
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Membrane processes used for separation of effluents from wire productions
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Production of process water using integrated membrane processes
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Treatment of effluents from a membrane bioreactor by nanofiltration using tubular membranes
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Effect of flow-rate on ethanol separation in membrane distillation process
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Studies of membrane scaling during water desalination by membrane distillation
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Biosynthesis of methanol from methane by Methylosinus trichosporium OB3b
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Ethanol production in a bioreactor with an integrated membrane distillation module
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Wettability of polypropylene capillary membranes during the membrane distillation process
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Interaction of amphotericin B and its selected derivatives with membranes: molecular modeling studies
PublikacjaJest to praca przeglądowa obejmująca krytyczną analizę danych dotyczących oddziaływania amfoterycyny B (AmB) i jej wybranych, mniej toksycznych pochodnych, z błonami lipidowymi. Amfoterycyna B jest antybiotykiem przeciwgrzybowym ale ze względu na jej toksyczność trwają prace nad modyfikacjami chemicznymi tego związku. Celem molekularnym dla tego antybiotyku jest błona lipidowa i dlatego różnicowe powinowactwo AmB i jej pochodnych...
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Cubane Like Structure of a Silanethiol Primary Amine Assembly a Novel, Unusual Hydrogen Bond Pattern.
PublikacjaMetodą rentgenowskiej analizy strukturalnej wyznaczono struktury krystaliczne i cząsteczkowe trzech soli amoniowych: (t-BuO)3SiS(-)H3N(+)Bu-t, (i-PrO)3SiS(-)H3N(+)Bu-t i (t-BuO)3SiS(-)H3N(+)(CH2)2CH(CH3)2. Wszystkie trzy związki w ciele stałym tworzą tetramery w których atomy S i N wyznaczają w przybliżeniu naroża sześcianu. Trwałość tych agregatów, oprócz sił elektrostatycznego przyciągania, zapewnia sieć wiązań wodorowych N-H
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Electromodulation of photoluminescence in vacuum-evaporated films of bathocuproine
PublikacjaElectric field-modulated photoluminescence (EML) was measured in vacuum-evaporated films of bathocuproine (BCP), electron-transporting material commonly used in organic light-emitting diodes (OLEDs). The external electric field of 106 V/cm strength decreases long-wavelength photoluminescence (PL) up to 10% but the same effect on short-wavelength PL is above one order of magnitude smaller. The distinctive difference between the...
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Synthesis and reactivity of O-acyl selenophosphates
PublikacjaThe synthesis of several new O-acyl selenophosphates were investigated. The stability and reactivity of the products were studied and related to their structure.
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Engineering TADF, Mechanochromism, and Second Harmonic Up- conversion Properties in Regioisomeric Substitution Space
PublikacjaThis research article explores the distinct TADF efficiency of three donor-acceptor based regio-isomers: DPAOCN (ortho- isomer), DPAMCN (meta-isomer), and DPAPCN (para-isomer). DPAPCN exhibits maximum TADF efficiency in both solution and solid-state with an impressive reverse inter-system crossing (RISC) rate of ~ 106 s-1; the underlying cause being the minimum singlet-triplet splitting energy or ∆EST and maximum SOC (spin-orbit...
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Inorganic membrane: a game changer for gas separation and purification
PublikacjaThis review explores the advancements and remaining challenges in inorganic membrane science, particularly focusing on their potential for industrial applications. It delves into the fundamental principles of inorganic membrane design, fabrication, and characterization techniques. The review also critically analyzes key challenges faced by inorganic membranes, such as physical aging, plasticization, defective formation, and fouling....
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Integration of protein tethering in a rapid and label-free SERS screening platform for drugs of abuse
PublikacjaSurface enhanced Raman spectroscopy (SERS) has emerged as a promising technique for the rapid and ultrasensitive detection of molecular species such as drugs of abuse in biofluids. Yet, it remains a significant challenge to create a viable screening tool for multiple drug classes, owing to the lack of affinity of certain species for the SERS substrate and to the matrix interference in complex media. Here we report a protein tethering...
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Synthesis and properties of new 'N,'N-phenyltetrazole podand
PublikacjaThe synthesis of a new chromogenic N,N-phenyltetrazole receptor is reported here. The cationbinding properties of this receptor in solution were investigated by naked-eye colour change, electrochemical methods and UV-Vis spectroscopy in various solvents (CH3CN, dimethylsulphoxide (DMSO), DMSO/H2O, CH3CN/H2O and CH3CN/MeOH). In addition, the receptor was used as a sensing material in ion-selective membrane electrodes. The selectivity...
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New bulk liquid membrane oscillator composed of two coupled oscillators with diffusion-mediated physical coupling
PublikacjaA new type of bulk liquid membrane system, which represents the first example of a bulk liquid membrane oscillator characterised by the presence of two coupled oscillators, is described. When the benzyldimethyltetradecylammonium chloride surfactant undergoes an oscillatory mass transfer through a nitromethane liquid membrane, a new liquid layer (phase X) appears between the membrane and the acceptor phase. Kinetic analysis provides...
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Threshold photoelectron studies of isoxazole over the energy range 9.9-30 eV
PublikacjaThe threshold photoelectron spectrum of the isoxazole molecule, C3H3NO has been measured over the photon energy range 9.9-30 eV with the use of synchrotron radiation. In the 9.9-10.8 eV range, corresponding to photoionization from the highest occupied molecular orbital 3a"(π3), seven well resolved vibrational series have been observed and their modes are tentatively assigned. A strong adiabatic ionization, with an energy of 11.132...
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Influence of substituents in vinyl groups on reactivity of parylene during polymerization process
PublikacjaPraca zawiera wyniki obliczeń kwantowych wielokonfiguracyjnych i DFT mechanizmów reakcji parylenu i cząsteczek z wiązaniami podwójnymi w fazie gazowej. Zbadany został i zanalizowany wpływ podstawników w strukturach alkenów na reaktywność parylenu i alkenów.
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A procedure for the determination of dichloromethane and tetrachloroethene in water using pervaporation and gas chromatography
PublikacjaIn the present study, pervaporation was applied to the determination of tetrachloroethene (PCE) and dichloromethane (DCM) in liquid samples. PCE is the most commonly used solvent in dry-cleaning processes. PCE belongs to group 2A of carcinogens (probably carcinogenic to humans) according to the classification of the International Agency for Research on Cancer (IARC). DCM is also widely used as an industrial solvent for the purification...
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Analytics of Surfactants in the Environment: Problems and Challenges
PublikacjaSurfactants (surface active agents = SAAs) are a group of compoundswith specific physicochemical properties (amphiphilicity,solubility in polar and nonpolar liquids, ability to form micelles,adsorption at phase boundaries).1,2 Because of their properties,surface-active compounds are widely applied in industry and thehousehold (e.g., in detergents, personal-care products, paints,pesticides, petroleum products). As their applications...
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Synthesis, structural and spectroscopic properties of asymmetric schiff bases derived from 2,3-diaminopyridine
PublikacjaTwo Schiff base derivatives, 4-(2-amino-3-pyridyliminomethyl)phenol (I) and 3-(2-amino-3- pyridyliminomethyl)nitrobenzene (II ), were synthesised and characterised by spectroscopy. The structure of I was determined by single crystal X-ray diffraction studies. The asymmetric Schiff base derived from 2,3-diaminopyridine selectively recognise transition and heavy metal cations, and some anion. Ligands I and II form stable complexes...
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Quasirelativistic potential energy curves and transition dipole moments of NaRb
PublikacjaWe report on extensive calculations of quasi-relativistic potential energy curves and, for the first time, transition dipole moments including spin-orbit and scalar-relativistic effects of the NaRb molecule. The calculated curves of the 0+, 0-, 1, 2 and 3 molecular states correlate for large internuclear separation with the fourteen lowest atomic energies up to the Na(3s ^2S_{1/2}) + Rb(7s ^2S_{1/2}) atomic limit. Several new features...
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Monitoring and efficiency assessment of biofilter air deodorization using electronic nose prototype
PublikacjaBiofiltration 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 for monitoring and efficiency assessment of air biofiltration. The study was conducted using model gas mixtures containing representatives of three groups of chemical compounds: n-hexane...
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Influence of excitons interaction with charge carriers on photovoltaic parameters in organic solar cells
PublikacjaWe report on theoretical analysis of excitons annihilation on charge carriers in organic solar cells. Numerical calculations based on transient one-dimensional drift-diffusion model have been carried out. An impact of three quantities (an annihilation rate constant, an exciton mobility and a recombination reduction factor) on current density and concentrations of charge carriers and excitons is investigated. Finally, we discuss...
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Multi-state vibronic interactions in the fluorobenzene radical cation: The importance of quadratic coupling terms
PublikacjaThe multi-mode multi-state vibronic interactions in the set of X^2B_1 - D^2A_1 electronic states of the monofluoro benzene radical cation are investigated theoretically, based on a quadratic vibronic coupling approach. The underlying ionization potentials and coupling constants are obtained from ab initio coupled-cluster calculations. Previous investigations (relying on the linear coupling approach) are extended by including all...
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Multi-mode vibronic interactions in the five lowest electronic states of the fluorobenzene radical cation
PublikacjaThe multi-mode vibronic interactions between the five lowest electronic states of the fluorobenzene radical cation are investigated theoretically, based on ab initio electronic structure data, and employing the linear vibronic coupling model. Low-energy conical intersections, and strong vibronic couplings are found to prevail within the set of X-A and B-C-D cationic states, while the interactions between these two sets of states...
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Synthesis of reduced graphene oxide nanosheets using nanofibers from methane and biogas thermal decomposition with various catalysts
PublikacjaReduced graphene oxide and graphene oxide (rGO, GO) were synthesised from carbon nanofibers, which were formed in catalytic thermal decomposition of methane (CDM) and biogas with different catalysts used in the process. The aim of the work was valorization of CDM carbon nanofiber products. The samples were characterized using Raman spectra, a scanning electron microscope and a transmission electron microscope. As a result, we observe...
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A non-adiabatic wavepacket dynamical study of the low energy chargetransfer process in the S3+ + H collision
PublikacjaThe collisional system S3+ + H?S2+ + H+ has been studied using a time-dependent wavepacket methodologyin two-dimensions. Using available potential energy surfaces and coupling matrix elementsobtained from multireference ab initio calculations, five non-adiabatically coupled electronic states of1P symmetry have been included in the dynamical simulations. The collision has been studied in thelow energy regime of 1-10 eV. The wavepacket...
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Understainding solid-phase microextraction: key factors influencing the extraction process and trends in improving the technique
PublikacjaAnalytical chemists are faced with the daunting challenges of accurately monitoring the state of the environment and the processes taking place in it and of determining an enormous range of analytes often present in trace and ultratrace amounts in sample matrixes with complex or variable compositions. Further challenges are presented by the need to introduce new methodologies into current analytical practice and equipment to comply...
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Spectroscopic properties of Rhodamine B entrapped in hybrid porous nanolayers at high dye concentration
PublikacjaThe preparation procedure and characterization of Rhodamine B entrapped in zirconia, silica and mixed silica–zirconia nanolayers is described. The nanolayers were produced by the sol–gel spin-coating technique. The pronounced effect of the dye concentration on the absorption and fluorescence spectra as well as on time-resolved fluorescence spectra was found. The results show that the aggregation of Rhodamine B is stronger in silica...
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Al(III) and Cu(II) simultaneous foam separation: Physicochemical problems
PublikacjaSimultaneous removal of Al(III) and Cu(II) from dilute aqueous solutions by ion and precipitate flotation methods is investigated. Influence of the pH of the initial solution, the surface active collector concentration and the gas flow rate on the final removal ratio and the course of ion and precipitate flotations is presented. Results show that simultaneous flotations of Al(OH)3 and Cu(OH)2 insoluble species occur allowing to...
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Resonance-Raman spectro-electrochemistry of intermediates in molecular artificial photosynthesis of bimetallic complexes
PublikacjaThe sequential order of photoinduced charge transfer processes and accompanying structure changes were analyzed by UV-vis and resonance-Raman spectroscopy of intermediates of a Ru(II) based photocatalytic hydrogen evolving system obtained by electrochemical reduction.
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Effect of shallow traps on admittance spectra of the system carrying SCLC and on values of charge carrier mobility extracted from susceptance
PublikacjaThe work concerns small-signal spectra of space-charge-limited current below threshold frequency (ft) of shallow traps. It is shown that below ft the small-signal concentration of trapped charge carriers is proportional to and in phase with small-signal concentration of free charge carriers, so there is no room for “slow shallow traps”. Conductance can be reduced by the traps, however no change in the range of real capacitance...
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Reversible energy transfer between monomers and fluorescent dimers of rhodamine S in polyvinyl alcohol films
PublikacjaBezpromienisty transfer energii i jej pułapkowanie jest analizowane dla rodaminy S domieszkowanej w foliach PVA. Z analizy wynika że fluoryzujące dimery rodaminy S grają rolę niedoskonałych pułapek energii wzbudzenia. Dla najwyższych koncentracji barwnika wyniki doświadczalne wydajności kwantowej i anizotropii emisji nie mogą być wyjaśnione przy pomocy modelu pomijającego transfer powrotny energii do monomerów. Uwzględnienie transferu...
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Sano-Tachiya-Noolandi-Hong versus Onsager modelling of charge photogeneration in organic solids
PublikacjaW pracy obliczono numerycznie charakterystyki polowe wydajności fotogeneracji nośników ładunku na gruncie różnych wesrsji modeli Onsagera i Noolandiego-Honga. Wyznaczone krzywe teoretyczne porównano z wynikami doświadczalnymi uzyskanymi metodą elektromodulacji (foto)luminescencji (EML) dla próżniowo naparowanych warstw organicznych kompleksów Alq3 i Ir(ppy)3.
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The electronic structure of p-xylylene and its reactivity with vinyl molecules
PublikacjaThe electronic states of p-xylylene molecule were described at the multi-configurational CASSCF/MRMP2 level of theory. The closed-shell singlet state representing the quinoidal p-xylylene molecule was pre-dicted to be the ground electronic state whereas the triplet (benzoidal) and the singlet open-shell states were found to be much higher in energy (by 159 and 423 kJ/mol, respectively, as found at the CASSCF(8,8)/6-31+G(d) level)....