Showing papers by "Wrocław University of Technology published in 2005"
TL;DR: The aim of the present study was to investigate quantitatively the potential binding sites present at the surface of Spirulina sp.
524 citations
TL;DR: Theoretical calculations of the Raman intensities and the simulated Raman spectra of platinum(II) complexes were presented in this article, where the clear-cut assignment of the Pt-ligand vibrations in the analyzed compounds has been made on the basis of the calculated potential energy distribution.
475 citations
TL;DR: A detailed interpretations of the infrared and Raman spectra of 5-bromo-2-nitropyridine is reported on the basis of the calculated potential energy distribution (PED).
378 citations
TL;DR: The aim of this work was to estimate, on the basis of soil extraction procedures, whether a given soil is suitable for cultivation of plants used as food or feed, and to develop an extraction procedure that would represent the content of metal available to plants during growing season.
355 citations
TL;DR: In this paper, the influence of sacrificial reagents on the photocatalytic efficiency in water splitting reactions under ultraviolet (UV) irradiation was examined, where various reagents such as methanol, Na2S, and ethylene diamine tetraacetic acid (EDTA), as well as I- and IO3- ions were used to obtain an effective water splitting to H and O atoms.
Abstract: Hydrogen production by water splitting over a Pt−TiO2 catalyst has been studied. The main goal of the studies was to examine the influence of sacrificial reagents on the photocatalytic efficiency in water splitting reactions under ultraviolet (UV) irradiation. Various sacrificial reagents, such as methanol, Na2S, and ethylene diamine tetraacetic acid (EDTA), as well as I- and IO3- ions, were used to obtain an effective water splitting to H and O atoms. It was revealed that, in the case of using methanol as the sacrificial reagent, hydrogen evolution is also a result of methanol conversion. Photocatalytic water splitting was obtained when EDTA and Na2S were used as the sacrificial reagents.
347 citations
TL;DR: In this paper, a series of carbons with similar microtextural characteristics (SBET about 800m2/g, micropore fraction 0.84-0.93) were tested for supercapacitor application.
328 citations
TL;DR: In this article, coal-based activated carbons were used as an electrode in electric double layer capacitors (EDLCs) in H2SO4 and KOH electrolytic solutions.
306 citations
TL;DR: A new approximate algorithm is provided that is based on the big valley phenomenon, and uses some elements of so-called path relinking technique as well as new theoretical properties of neighbourhoods.
Abstract: The job shop scheduling problem with the makespan criterion is a certain NP-hard case from OR theory having excellent practical applications. This problem, having been examined for years, is also regarded as an indicator of the quality of advanced scheduling algorithms. In this paper we provide a new approximate algorithm that is based on the big valley phenomenon, and uses some elements of so-called path relinking technique as well as new theoretical properties of neighbourhoods. The proposed algorithm owns, unprecedented up to now, accuracy, obtainable in a quick time on a PC, which has been confirmed after wide computer tests.
289 citations
TL;DR: This review is focused on the potential of nanotechnology in health care and medicine, including the development of nanoparticles for diagnostic and screening purposes, the manufacture of unique drug delivery systems, antisense and gene therapy applications and the enablement of tissue engineering,including the future of nanorobot construction.
Abstract: At the beginning of 21(st) century, fifty years after discovery of deoxyribonucleic acid (DNA) double helix structure, scientific world is faced with a great progress in many disciplines of biological research, especially in the field of molecular biology and operating on nucleid acid molecules. Many molecular biology techniques have been implemented successfully in biology, biotechnology, medical science, diagnostics, and many more. The introduction of polymerase chain reaction (PCR) resulted in improving old and designing new laboratory devices for PCR amplification and analysis of amplified DNA fragments. In parallel to these efforts, the nature of DNA molecules and their construction have attracted many researchers. In addition, some studies concerning mimicking living systems, as well as developing and constructing artificial nanodevices, such as biomolecular sensors and artificial cells, have been conducted. This review is focused on the potential of nanotechnology in health care and medicine, including the development of nanoparticles for diagnostic and screening purposes, the manufacture of unique drug delivery systems, antisense and gene therapy applications and the enablement of tissue engineering, including the future of nanorobot construction.
236 citations
TL;DR: In this article, a Pd-PVP colloid with a diameter of 19.8 nm was found in [Bu4N]Br medium catalyzes for the coupling of bromobenzene with butyl acrylate and methoxycarbonylation of iodobenzenes reactions.
230 citations
TL;DR: In this paper, the effect of kind of carrier on activity in the ethanol oxidation and on selectivity to acetaldehyde (ACA) was determined, and a relation between the TPR properties of the catalysts and their activity in ethanol conversion was suggested.
Abstract: MnOx catalysts supported on alumina, titania or yttria-stabilised zirconia were studied in ethanol oxidation. Catalysts were characterized by determining their XRD, TPR, TPD-O2 and TPD-NH3 properties and light-off behavior. The effect of kind of carrier on activity in the ethanol oxidation and on selectivity to acetaldehyde (ACA) was determined. Relation between the TPR properties of the catalysts and their activity in ethanol conversion is suggested. The maximum of selectivity to ACA appears in the same sequence of temperatures as the first peak of oxygen desorption from supported MnOx catalysts.
TL;DR: In this paper, the co-coordination and the supramolecular networks in diphosphonic acid complexes are discussed, and the role of the hydrogen bonds for the metal complexation in solution is also revealed.
TL;DR: An analysis of the interaction energy components for dihydrogen bonded systems considered indicates that in contrast to conventional hydrogen bonded systems the attractive electrostatic term is outweighed by the repulsive exchange energy term and that the higher order delocalization energy term is the most important attractive term.
Abstract: Ab initio calculations at the MP2/6-311++G(d,p) and MP2/aug-cc-pVDZ//MP2/aug-cc-pVTZ levels have been performed for the following complexes: H2OH+···HBeH, H2OH+···HBeBeH, H2OH+···HBeF, HClOH+···HB...
TL;DR: It was found that crushed eggshells possess relatively high sorption capacity, when comparing with other sorbents, that was evaluated as 21-160 mg/g, and sorptioncapacity increased with the increase of Cr(III) concentration, temperature and sorbent concentration.
TL;DR: This paper develops and compares different local search algorithms for the no-wait flow-shop problem with makespan criterion (Cmax) and presents several variants of descending search and tabu search algorithms that are relatively more effective in finding better quality solutions than existing algorithms.
TL;DR: The decomposition of the total interaction energy applied here reveals that the delocalization energy term is a particularly important attractive contribution in these systems, more important in the case of systems forming homonuclear O-H...O double hydrogen bonds than in the cases of those connected through heteronuclear N-H…O bonds.
Abstract: The intermolecular hydrogen bonds in dimers of formic acid, acetic acid, and formamide were investigated. Additionally, three configurations of the pyrrole-2-carboxylic acid (PCA) dimer were studied to analyze how the pyrrole π-electron system influences the carboxylic groups connected by double O−H···O hydrogen bonds. The ab initio calculations for the systems investigated were performed at MP2/6-311++G(d,p), MP2/aug-cc-pVDZ, and MP2/aug-cc-pVTZ//MP2/aug-cc-pVDZ levels of theory. The “atoms in molecules” theory of Bader was used and the analysis of the critical points was performed to study the nature of hydrogen bonds. The decomposition of the total interaction energy applied here reveals that the delocalization energy term is a particularly important attractive contribution in these systems, more important in the case of systems forming homonuclear O−H···O double hydrogen bonds than in the case of those connected through heteronuclear N−H···O bonds. Because the systems analyzed may be formally classifi...
TL;DR: The protein matrix seems to be designed in such a way to mimic an environment that is more similar to gas-phase than water solution, and the emitting moiety corresponds to a slightly perturbed H2O - -chromophore complex.
Abstract: A “brute-force” ab initio CASPT2//CASSCF/CHARMM computational approach is employed to investigate the properties of the emitting state of the wild-type green fluorescence protein. The results indicate that the emitting moiety corresponds to a slightly perturbed H2O- - -chromophore complex. Thus, the protein matrix seems to be designed in such a way to mimic an environment that is more similar to gas-phase than water solution.
TL;DR: The adsorption by a coal-based mesoporous activated carbon of humic acids (HAs) isolated from two Polish lignites was studied and S-HA shows characteristics indicating the highest contribution of small-size fraction.
TL;DR: Chromium(VI) transport across supported liquid membranes (SLMs) and polymer inclusion membranes (PIMs) with tertiary amines and quaternary ammonium salt (Aliquat 336) from chloride acidic aqueous solution to 0.1 M NaOH has been studied as mentioned in this paper.
TL;DR: Filtering based on BSS can improve the performance of the existing EEG approaches to early diagnosis of Alzheimer's disease and may also have potential for improvement of EEG classification in other clinical areas or fundamental research.
TL;DR: In this paper, a theoretical analysis on the selection of optimum band gap semiconductor absorbers for application in either single or multijunction (up to five junctions) solar cells is presented.
TL;DR: It is suggested that the dominating mechanism of particle generation for metal-on-metal joints is surface fatigue within a nanocrystalline surface layer.
Abstract: To control and minimize wear of metal-on-metal hip joints it is essential to understand the mechanisms of debris generation. In vivo, mainly nanosize globular and needle-shaped particles are found. These can neither stem from the action of abrasion nor from tribochemical reactions. In this study the acting wear mechanisms have been first identified on the surface by means of scanning electron microscopy (SEM). Afterwards, the microstructures of the subsurface regions of explants have been investigated using a transmission electron microscope (TEM). Observation of the subsurface gave additional insight about the microstructural changes of cobalt-base alloys subjected to wear. At some distance from the surface, a network of stacking faults and hexagonal ϵ-martensite was found strengthening the bulk material. This microstructure changed into a nanocrystalline type moving closer towards the surface. A comparison of in vivo debris size and grain size of the surface suggests that the globular wear particles result from torn off nanocrystals, while the needle shaped particles are generated by fractured ϵ-martensite. Identified cracks, propagating through the nanocrystalline layer, further support these findings. Thus, it is suggested that the dominating mechanism of particle generation for metal-on-metal joints is surface fatigue within a nanocrystalline surface layer. © 2004 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater 72B: 206–214, 2005
TL;DR: A canonical decomposition of H-self-similar Lévy symmetric alpha-stable processes is presented and the resulting components completely described by both deterministic kernels and the corresponding stochastic integral are shown to be related to the dissipative and conservative parts of the dynamics.
Abstract: A canonical decomposition of H-self-similar Levy symmetric alpha-stable processes is presented. The resulting components completely described by both deterministic kernels and the corresponding stochastic integral with respect to the Levy symmetric alpha-stable motion are shown to be related to the dissipative and conservative parts of the dynamics. This result provides stochastic analysis tools for study the anomalous diffusion phenomena in the Langevin equation framework. For example, a simple computer test for testing the origins of self-similarity is implemented for four real empirical time series recorded from different physical systems: an ionic current flow through a single channel in a biological membrane, an energy of solar flares, a seismic electric signal recorded during seismic Earth activity, and foreign exchange rate daily returns.
TL;DR: Hair samples from inhabitants of city of Wrocław were collected between 1996 and 2003 and inter-element interactions were studied by evaluation of correlation coefficients between two elements, as well as by multiple regression analysis.
TL;DR: In this paper, a systemic approach was developed to partition the energy absorption quantitatively into the foam filler component and the hat section component, and the relative contribution of each component to the overall interaction effect was evaluated.
TL;DR: In this article, it was shown that a generic C1 non-hyperbolic area preserving diffeomorphism of a compact surface has no symbolic extensions and that any possible symbolic extension has topological entropy strictly larger than that of f.
Abstract: Let f:X→X be a homeomorphism of the compact metric space X. A symbolic extension of (f,X) is a subshift on a finite alphabet (g,Y) which has f as a topological factor. We show that a generic C1 non-hyperbolic (i.e., non-Anosov) area preserving diffeomorphism of a compact surface has no symbolic extensions. For r>1, we exhibit a residual subset $\mathcal{R}$
of an open set $\mathcal{U}$
of C
r
diffeomorphisms of a compact surface such that if $f\in\mathcal{R}$
, then any possible symbolic extension has topological entropy strictly larger than that of f. These results complement the known fact that any C∞ diffeomorphism has symbolic extensions with the same entropy. We also show that C
r
generically on surfaces, homoclinic closures which contain tangencies of stable and unstable manifolds have Hausdorff dimension two.
TL;DR: It is pointed out that synchrony analysis through the use of wavelet transforms is more general and allows us to study nonstationary aspects of cerebral hemodynamics in the very low-frequency range where the physiological significance of autoregulation is most strongly pronounced.
Abstract: Complex continuous wavelet transforms are used to study the dynamics of instantaneous phase difference Δφ between the fluctuations of arterial blood pressure (ABP) and cerebral blood flow velocity ...
TL;DR: In this paper, the state of the art is reviewed, covering the changes in the chemical structure of asphaltenes upon hydrotreatment, leading to the reduction in product stability.
Abstract: Asphaltenes raise trouble in petroleum processing. During the hydroprocessing of heavy feedstock, asphaltenes limit the efficiency of conversion and refining, act as coke precursors leading to catalyst deactivation. The effect of asphaltenes and their solubility in oil on the formation of solids have been extensively studied in the last decades. In this paper, the state of the art is reviewed, covering the changes in the chemical structure of asphaltenes upon hydrotreatment, leading to the reduction in product stability. As a result, asphaltenes might precipitate, causing coke deposition on the catalyst and the formation of deposits in the refinery equipment. This is the main reason for the limitation of conversion resulting in the reduction in the product yield.
TL;DR: In this paper, a new functional resins with long functional ligands were synthesized by modification of poly(vinylbenzylchloride-acrylonitryle-divinylbenzene) matrix with ethylenediamine, bis(aminopropyl)amine, bis (aminohexyl)triamine or tris(2-aminoethyl)amine.
Abstract: New functional resins with long functional ligands were synthesised by modification of poly(vinylbenzylchloride–acrylonitryle–divinylbenzene) matrix with ethylenediamine, bis(aminopropyl)amine, bis(aminohexyl)triamine or tris(2-aminoethyl)amine. The derivatives were reacted with S -methylthiourea to obtain resins with 2.8–5.0 mmol of amino group per 1 g of dry resin. Sorption efficiency of resin towards Au(III), Pt(IV), Pd(II) chlorocomplexes was determined in a batch mode multicomplexes solutions of Cu(II), Ni(II) and Fe(III) chlorides in 0.1–3 M HCl. The sorption capacity of gold, platinum and palladium from 0.1 M hydrochloric solutions reaches the value of 190, 245 and 280 mg/g, respectively. Recovery of noble metals reveals average of 95% from mulitcomponent solutions.
TL;DR: The synthesis of a convenient reporter substrate is described, the metal and pH-dependence of an active LytM fragment is characterized, and its crystal structure is presented in three crystal forms at different pH values that either support or do not support activity.