A nonparametric method for the measurement of size diversity with emphasis on data standardization

The most suitable method for estimation of size diversity is investigated. Size diversity is computed on the basis of the Shannon diversity expression adapted for continuous variables, such as size. It takes the form of an integral involving the probability density function (pdf) of the size of the individuals. Different approaches for the estimation of pdf are compared: parametric methods, assuming that data come from a determinate family of pdfs, and nonparametric methods, where pdf is estimated using some kind of local evaluation. Exponential, generalized Pareto, normal, and log-normal distributions have been used to generate simulated samples using estimated parameters from real samples. Nonparametric methods include discrete computation of data histograms based on size intervals and continuous kernel estimation of pdf. Kernel approach gives accurate estimation of size diversity, whilst parametric methods are only useful when the reference distribution have similar shape to the real one. Special attention is given for data standardization. The division of data by the sample geometric mean is proposedas the most suitable standardization method, which shows additional advantages: the same size diversity value is obtained when using original size or log-transformed data, and size measurements with different dimensionality (longitudes, areas, volumes or biomasses) may be immediately compared with the simple addition of ln k where kis the dimensionality (1, 2, or 3, respectively). Thus, the kernel estimation, after data standardization by division of sample geometric mean, arises as the most reliable and generalizable method of size diversity evaluation

Will climate change increase the risk of plant invasions into mountains?

Mountain ecosystems have been less adversely affected by invasions of non-native plants than most other ecosystems, partially because most invasive plants in the lowlands are limited by climate and cannot grow under harsher high-elevation conditions. However, with ongoing climate change, invasive species may rapidly move upwards and threaten mid- then high-elevation mountain ecosystems. We evaluated this threat by predicting current and future potential distributions of 48 invasive plant species distributed in Switzerland (CH) and New South Wales (NSW), two areas where climate interacts differently with the elevation gradient. Using a species distribution modeling approach combining two scales, which builds on high-resolution data (< 250 m) but accounts for the global climatic niche of species, we found that different environmental drivers limit the elevation range of invasive species in the two regions, leading to region-specific species responses to climate change. Whereas the optimal suitability for plant invaders is predicted to markedly shift from the lowland to the montane or subalpine zone in CH, such an upward shift is far less pronounced in NSW where montane and subalpine elevations are currently already suitable. Non-native species able to invade the upper reaches of mountains in a future climate will be cold-tolerant in the Swiss Alps but preferring wet soils in the Australian Alps. Other plant traits were only marginally associated with elevation limits. These results demonstrate that a more systematic consideration of future distributions of invasive species is required in conservation plans of not yet invaded mountainous ecosystems.

Connectivity in sol-gel silica glasses

In this work it is carried out a review on structural parameters related to the evaluation of pore connectivity of nanostructures. The work describes parameters and methods of evaluation of geometric parameters. The concepts of connectivity are applied to silica gels and glasses obtained from sol-gel process. The study of pores connectivity was carried out using a combination of geometric modeling and experimental evaluation of specific surface area and pore volume. The permeability of the pore structure is evaluated and a permeability geometric factor, Pg, is proposed.

Dual Action of BPC194: A Membrane Active Peptide Killing Bacterial Cells

Membrane active peptides can perturb the lipid bilayer in several ways, such as poration and fusion of the target cell membrane, and thereby efficiently kill bacterial cells. We probe here the mechanistic basis of membrane poration and fusion caused by membrane-active, antimicrobial peptides. We show that the cyclic antimicrobial peptide, BPC194, inhibits growth of Gram-negative bacteria and ruptures the outer and inner membrane at the onset of killing, suggesting that not just poration is taking place at the cell envelope. To simplify the system and to better understand the mechanism of action, we performed Förster resonance energy transfer and cryogenic transmission electron microscopy studies in model membranes and show that the BPC194 causes fusion of vesicles. The fusogenic action is accompanied by leakage as probed by dual-color fluorescence burst analysis at a single liposome level. Atomistic molecular dynamics simulations reveal how the peptides are able to simultaneously perturb the membrane towards porated and fused states. We show that the cyclic antimicrobial peptides trigger both fusion and pore formation and that such large membrane perturbations have a similar mechanistic basis

Pilarização de uma argila brasileira com poliidroxications de alumínio: preparação, caracterização e propriedades catalíticas

Montmorillonite clay from Brazil was pillared with aluminium polyhydroxications. The influence of aging of the pillaring solution and the concentration of the clay suspension on the properties of the prepared materials was studied. The materials were characterized by chemical analysis, XRD and pore analysis by N2 adsorption. The catalytic properties were evaluated in the cumene cracking reaction. Results showed that the pillarization process increases the basal spaces of natural clay from 9.7 to 18.5 Å and the surface area from 41 to 300 m²/g.

Voltametria de micropartículas imobilizadas: fundamentos e aplicações analíticas

The theoretical aspects of Voltammetry of Immobilized Microparticles (VIM) were discussed. The immobilization of microparticles on electrode surface, the electrode cleaning processes and the electrode materials were analyzed. The three-phase electrode model and the possible reactions between the immobilized particle and the electrolytic solution were discussed. In addition, this work discusses some selected applications of VIM published in the last years.

Nanotubos de TiO2 dopados com nitrogênio: comparação das atividades fotocatalíticas de materiais obtidos através de diferentes técnicas

TiO2 nanotubes were synthesized by hydrothermal method and doped with three nitrogen compounds to enhance photocatalytic activity under visible light. Catalysts were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), diffuse reflectance spectroscopy (DRS) and specific surface area and pore volume determined by BET and BJH methods, respectively. Photocatalytic activity was evaluated by photodegradation of rhodamine B under visible and UV radiations. Results showed doped-nanotubes were more efficient under visible light. The best photocatalytic activity was for sample NTT-7-600/NH3I, being 30% higher than the non-doped sample.

Síntese, caracterização e atividade fotocatalítica de catalisadores nanoestruturados de TiO2 dopados com metais

Titanium dioxide nanostructured catalysts (nanotubes) doped with different metals (silver, gold, copper, palladium and zinc) were synthesized by the hydrothermal method in order to promote an increase in their photocatalytic activity under visible light. The catalysts were characterized by X-ray diffraction, diffuse reflectance spectroscopy, transmission electron microscopy and specific area and pore volume determination. The materials' photocatalytic activity was evaluated by rhodamine B decomposition in a glass batch reactor. Under UV radiation, only nanotubes doped with palladium were more active than the TiO2 P25, but the samples doped with silver, palladium and gold exhibited better results than the undoped samples under visible light.

Täyteaineen dispergoinnin vaikutus paperin ominaisuuksiin

Kuljetettaessa täyteainetta pidempiä matkoja voidaan aikaan saada säästöjä, mikäli täyteaineliete valmistetaan korkeaan kuiva-ainepitoisuuteen. Dispergointiaineen avulla täyteainelietteen kuiva-ainepitoisuutta voidaan nostaa ilman, että menetetään täyteainelietteen virtausominaisuuksia. Dispergointiaineen tehtävänä on stabiloida täyteaineliete niin, että täyteainepartikkelit pysyvät lietteessä erillään, jolloin lietteen kuiva-ainepitoisuuden kasvattaminen on mahdollista. Täyteainepartikkelien agglomeroituminen estyy, kun dispergointiaine kiinnittyy täyteainepartikkelin pinnalle lisäten partikkelin sähkövarausta ja vahvistaen näin partikkeleiden välisiä repulsiovoimia. Dispergointi on mahdollista tehdä myös steerisellä stabiloinnilla. Yleisimmät käytössä olevat dispergointiaineet ovat polyakryylaatteja. Työssä tutkittiin MBF- laitteella valmistettujen arkkien avulla dispergoinnin vaikutusta täyteaineiden käyttäytymiseen ja paperin ominaisuuksiin. Dispergointiaineen todettiin heikentävän täyteaineen retentiota paperiin, sillä dispergointiaineen aiheuttama täyteaineen anionisuuden kasvu lisää kuidun ja täyteaineen välistä repulsiota. Dispergoitujen täyteaineiden käyttö vaatii retentioaineannoksen kasvattamista, mikä voi johtaa puolestaan formaation heikkenemiseen. Dispergointiaineen todettiin alentavan hienopaperin bulkkia, sillä paksuutta lisääviä agglomeraatteja esiintyi todennäköisesti vähemmän. Lisäksi dispergointiaineen havaittiin heikentävän hienopaperin ja TMP:stä valmistetun paperin optisia ominaisuuksia. Hienopaperilla dispergointiaineen käyttö puolestaan paransi paperin lujuusominaisuuksia. TMP- arkeilla bulkki ja lujuusominaisuudet muuttuivat dispergointiaineannostuksen myötä. 5 ‰:n dispergointiaineannostuksella päästiin samaan bulkkiin sekä lujuusominaisuuksiin kuin ei-dispergoidulla täyteaineella.

Numerical study on mixed convection in a horizontal flow past a square porous cavity using UNIFAES scheme

Mixed convection on the flow past a heated length and past a porous cavity located in a horizontal wall bounding a saturated porous medium is numerically simulated. The cavity is heated from below. The steady-state regime is studied for several intensities of the buoyancy effects due to temperature variations. The influences of Péclet and Rayleigh numbers on the flow pattern and the temperature distributions are examined. Local and global Nusselt numbers are reported for the heated surface. The convective-diffusive fluxes at the volume boundaries are represented using the UNIFAES, Unified Finite Approach Exponential-type Scheme, with the Power-Law approximation to reduce the computing time. The conditions established by Rivas for the quadratic order of accuracy of the central differencing to be maintained in irregular grids are shown to be extensible to other quadratic schemes, including UNIFAES, so that accuracy estimates could be obtained.

Methodology for wind turbine blade geometry optimization

Nowadays, the upwind three bladed horizontal axis wind turbine is the leading player on the market. It has been found to be the best industrial compromise in the range of different turbine constructions. The current wind industry innovation is conducted in the development of individual turbine components. The blade constitutes 20-25% of the overall turbine budget. Its optimal operation in particular local economic and wind conditions is worth investigating. The blade geometry, namely the chord, twist and airfoil type distributions along the span, responds to the output measures of the blade performance. Therefore, the optimal wind blade geometry can improve the overall turbine performance. The objectives of the dissertation are focused on the development of a methodology and specific tool for the investigation of possible existing wind blade geometry adjustments. The novelty of the methodology presented in the thesis is the multiobjective perspective on wind blade geometry optimization, particularly taking simultaneously into account the local wind conditions and the issue of aerodynamic noise emissions. The presented optimization objective approach has not been investigated previously for the implementation in wind blade design. The possibilities to use different theories for the analysis and search procedures are investigated and sufficient arguments derived for the usage of proposed theories. The tool is used for the test optimization of a particular wind turbine blade. The sensitivity analysis shows the dependence of the outputs on the provided inputs, as well as its relative and absolute divergences and instabilities. The pros and cons of the proposed technique are seen from the practical implementation, which is documented in the results, analysis and conclusion sections.

Manifestation of the pairing symmetry in the vortex core structure in iron-based superconductors

The superconducting gap is a basic character of a superconductor. While the cuprates and conventional phonon-mediated superconductors are characterized by distinct d- and s-wave pairing symmetries with nodal and nodeless gap distributions respectively, the superconducting gap distributions in iron-based superconductors are rather diversified. While nodeless gap distributions have been directly observed in Ba1–xKxFe2As2, BaFe2–xCoxAs2, LiFeAs, KxFe2–ySe2, and FeTe1–xSex, the signatures of a nodal superconducting gap have been reported in LaOFeP, LiFeP, FeSe, KFe2As2, BaFe2–xRuxAs2, and BaFe2(As1–xPx)2. Due to the multiplicity of the Fermi surface in these compounds s± and d pairing states can be both nodeless and nodal. A nontrivial orbital structure of the order parameter, in particular the presence of the gap nodes, leads to effects in which the disorder is much richer in dx2–y2-wave superconductors than in conventional materials. In contrast to the s-wave case, the Anderson theorem does not work, and nonmagnetic impurities exhibit a strong pair-breaking influence. In addition, a finite concentration of disorder produces a nonzero density of quasiparticle states at zero energy, which results in a considerable modification of the thermodynamic and transport properties at low temperatures. The influence of order parameter symmetry on the vortex core structure in iron-based pnictide and chalcogenide superconductors has been investigated in the framework of quasiclassical Eilenberger equations. The main results of the thesis are as follows. The vortex core characteristics, such as, cutoff parameter, ξh, and core size, ξ2, determined as the distance at which density of the vortex supercurrent reaches its maximum, are calculated in wide temperature, impurity scattering rate, and magnetic field ranges. The cutoff parameter, ξh(B; T; Г), determines the form factor of the flux-line lattice, which can be obtained in _SR, NMR, and SANS experiments. A comparison among the applied pairing symmetries is done. In contrast to s-wave systems, in dx2–y2-wave superconductors, ξh/ξc2 always increases with the scattering rate Г. Field dependence of the cutoff parameter affects strongly on the second moment of the magnetic field distributions, resulting in a significant difference with nonlocal London theory. It is found that normalized ξ2/ξc2(B/Bc2) dependence is increasing with pair-breaking impurity scattering (interband scattering for s±-wave and intraband impurity scattering for d-wave superconductors). Here, ξc2 is the Ginzburg-Landau coherence length determined from the upper critical field Bc2 = Φ0/2πξ2 c2, where Φ0 is a flux quantum. Two types of ξ2/ξc2 magnetic field dependences are obtained for s± superconductors. It has a minimum at low temperatures and small impurity scattering transforming in monotonously decreasing function at strong scattering and high temperatures. The second kind of this dependence has been also found for d-wave superconductors at intermediate and high temperatures. In contrast, impurity scattering results in decreasing of ξ2/ξc2(B/Bc2) dependence in s++ superconductors. A reasonable agreement between calculated ξh/ξc2 values and those obtained experimentally in nonstoichiometric BaFe2–xCoxAs2 (μSR) and stoichiometric LiFeAs (SANS) was found. The values of ξh/ξc2 are much less than one in case of the first compound and much more than one for the other compound. This is explained by different influence of two factors: the value of impurity scattering rate and pairing symmetry.

Heterogeneous mass transfer in fluidized beds by computational fluid dynamics

The main objective of this research is to estimate and characterize heterogeneous mass transfer coefficients in bench- and pilot-scale fluidized bed processes by the means of computational fluid dynamics (CFD). A further objective is to benchmark the heterogeneous mass transfer coefficients predicted by fine-grid Eulerian CFD simulations against empirical data presented in the scientific literature. First, a fine-grid two-dimensional Eulerian CFD model with a solid and gas phase has been designed. The model is applied for transient two-dimensional simulations of char combustion in small-scale bubbling and turbulent fluidized beds. The same approach is used to simulate a novel fluidized bed energy conversion process developed for the carbon capture, chemical looping combustion operated with a gaseous fuel. In order to analyze the results of the CFD simulations, two one-dimensional fluidized bed models have been formulated. The single-phase and bubble-emulsion models were applied to derive the average gas-bed and interphase mass transfer coefficients, respectively. In the analysis, the effects of various fluidized bed operation parameters, such as fluidization, velocity, particle and bubble diameter, reactor size, and chemical kinetics, on the heterogeneous mass transfer coefficients in the lower fluidized bed are evaluated extensively. The analysis shows that the fine-grid Eulerian CFD model can predict the heterogeneous mass transfer coefficients quantitatively with acceptable accuracy. Qualitatively, the CFD-based research of fluidized bed process revealed several new scientific results, such as parametrical relationships. The huge variance of seven orders of magnitude within the bed Sherwood numbers presented in the literature could be explained by the change of controlling mechanisms in the overall heterogeneous mass transfer process with the varied process conditions. The research opens new process-specific insights into the reactive fluidized bed processes, such as a strong mass transfer control over heterogeneous reaction rate, a dominance of interphase mass transfer in the fine-particle fluidized beds and a strong chemical kinetic dependence of the average gas-bed mass transfer. The obtained mass transfer coefficients can be applied in fluidized bed models used for various engineering design, reactor scale-up and process research tasks, and they consequently provide an enhanced prediction accuracy of the performance of fluidized bed processes.

Teollinen öljyn erotus koalesenssisuodatuksella väliaineessa

Koalesenssi on ilmiö, jossa dispergoidun faasin pisarat pyrkivät muodostamaan suurempia pisaroita kunnes erotettava faasi muodostuu. Koalesenssi tapahtuu kolmessa päävaiheessa, jotka ovat lähestyminen, kiinnittyminen ja irrotus. Lähestymiseen vaikuttavat mekanismit ovat muuan muassa sieppaus, diffuusio, törmäysvaikutus, sedimentaatio, sähköiset repul-siovoimat ja van der Waalsin voimat. Kiinnittymisvaiheessa dispergoidun faasin pisarat syrjäyttävät väliaineen nestekalvon samalla kostuttaen väliaineen pinnan. Irrotusvaiheessa pisaran hydrodynaaminen voima voittaa pisaran ja väliaineen välisen adheesiovoiman. Koalesenssin tehokkuuteen vaikuttavat useat eri parametrit kuten virtausnopeus, pedin ominaisuudet, väliaineen ominaisuudet sekä emulsion ominaisuudet. Nämä kaikki asiat tulee ottaa huomioon koalesenssisuodatuksen suunnittelussa. Koalesenssisuodatus lukeutuu syväsuodatusmenetelmiin, jotka on ollut käytössä jo yli 100 vuotta. Koalesenssisuodatusmenetelmä on tehokas menetelmä pienten pisaroiden erottami-seen. Menetelmää käytetään esimerkiksi öljyisten jätevesien puhdistuksessa. Teollisen öljyn syväsuodatuksen etuihin kuuluu muun muassa sen kompakti koko, alhaisemmat käyt-tökustannukset, korkea erotusaste, kyky erotella pienetkin pisarat sekä helppo operointi, automatisointi ja huolto. Suurin haittapuoli on kuitenkin väliaineen tukkeutuminen, joten prosessi vaatii puhdistuksen tai väliaineen uusimisen. Tämän kandidaatintyön tarkoituksena oli koota kirjallisuustyö öljyn koalesenssisuodatuk-sesta. Työssä kartoitettiin koalesenssisuodatuksen lähtökohdat, teoria, tärkeimmät teolli-suuden sovellukset sekä väliaineet.

Functional cellulose microspheres for pharmaceutical applications

Dissolving cellulose is the first main step in preparing novel cellulosicmaterials. Since cellulosic fibres cannot be easily dissolved in water-based solvents, fibres were pretreated with ethanol-acid solution prior to the dissolution. Solubility and changes on the surface of the fibres were studied with microscopy and capillary viscometry. After the treatment, the cellulose fibres were soluble in alkaline urea-water solvent. The nature of this viscous solution was studied rheologically. Cellulose microspheres were prepared by extruding the alkaline cellulose solution through the needle into an acidic medium. By altering the temperature and acidity of the mediumit was possible to adjust the specific surface area and pore sizes of themicrospheres. A typical skin-core structure was found in all samples. Microspheres were oxidised in order to introduce anionic carboxylic acid groups (AGs). Anionic microspheres are more hydrophilic; their water-uptake increased 25 times after oxidation and they could swell almost to their original state (88%) after drying and shrinking. Swelling was studied in simulated physiological environments, corresponding to stomach acid and intestines (pH 1.2-7.4). Oxidised microspheres were used as a drug carriers. They demonstrated a highmass uniformity, which would enable their use for personalised dosing among different patients, including children. The drug was solidified in microspheres in amorphous form. This enhanced solubility and could be used for more challenging drugs with poor solubility. The pores of themicrospheres also remained open after the drug was loaded and they were dried. Regardless of the swelling, the drug was released at a constant rate in all environments.