The interaction between mercury(II) and sulfathiazole

The interaction of mercury(II) with sulfathiazole has been analyzed. IR and NMR spectral studies suggest a coordination of Hg(II) with the Nthiazolic atom, unlike related Hg-sulfadrugs compounds. The complex was screened for its activity against Escherichia coli, showing an appreciable antimicrobial activity compared with the ligand.

Effect of long-range Coulomb interaction on shot-noise suppression in ballistic transport

We present a microscopic analysis of shot-noise suppression due to long-range Coulomb interaction in semiconductor devices under ballistic transport conditions. An ensemble Monte Carlo simulator self-consistently coupled with a Poisson solver is used for the calculations. A wide range of injection-rate densities leading to different degrees of suppression is investigated. A sharp tendency of noise suppression at increasing injection densities is found to scale with a dimensionless Debye length related to the importance of space-charge effects in the structure.

Non-thermal emission from microquasar/ISM interaction

Context. The interaction of microquasar jets with their environment can produce non-thermal radiation as in the case of extragalactic outflows impacting on their surroundings. Significant observational evidence of jet/medium interaction in galactic microquasars has been collected in the past few years, although little theoretical work has been done regarding the resulting non-thermal emission. Aims. In this work, we investigate the non-thermal emission produced in the interaction between microquasar jets and their environment, and the physical conditions for its production. Methods. We developed an analytical model based on those successfully applied to extragalactic sources. The jet is taken to be a supersonic and mildly relativistic hydrodynamical outflow. We focus on the jet/shocked medium structure in its adiabatic phase, and assume that it grows in a self-similar way. We calculate the fluxes and spectra of the radiation produced via synchrotron, inverse Compton, and relativistic bremsstrahlung processes by electrons accelerated in strong shocks. A hydrodynamical simulation is also performed to investigate further the jet interaction with the environment and check the physical parameters used in the analytical model. Results. For reasonable values of the magnetic field, and using typical values of the external matter density, the non-thermal particles could produce significant amounts of radiation at different wavelengths, although they do not cool primarily radiatively, but by adiabatic losses. The physical conditions of the analytical jet/medium interaction model are consistent with those found in the hydrodynamical simulation. Conclusions. Microquasar jet termination regions could be detectable at radio wavelengths for current instruments sensitive to ~arcminute scales. At X-ray energies, the expected luminosities are moderate, although the emitter is more compact than the radio one. The source may be detectable by XMM-Newton or Chandra, with 1-10 arcsec of angular resolution. The radiation at gamma-ray energies may be within the detection limits of the next generation of satellite and ground-based instruments.

The state of research and development in Australia: implications for future development

The scale of research and development (R&D), and other technological activities, and the way in which the available resources are managed and organized at the enterprise and national level contribute to the rate of technological change in a country. A well organized national innovation system can be a powerful engine of progress, whereas a lack of interaction between institutions results in the slowing down of technological change, thereby diminishing its contribution to economic growth and welfare. The research object of this thesis is Australia’s national innovation system and the state of R&D in Australia. In order to establish an overall picture of the situation and to be able to make recommendations for future development, the general level of R&D activity and the main performers and funders of R&D within the system are analyzed. The framework policies supporting R&D and prevalent dynamics between different actors and sectors are of specific interest of the research. The findings reveal that the Australian culture is not a culture of research and innovation and that the main challenge is building a coherent system with strong domestic and international linkages.

Alueverkkojen yhteisöllisyyden edistäminen, vaihtoehtojen arviointi ja yhteisöverkkoportaalin toteutus

Internetin yhteisöpalvelut ovat saavuttaneet suuren suosion. Ne mahdollistavat digitaalisten yhteisöjen ja yhteisöllisyyden tunteiden aikaansaamisen käyttäjien välille. Kehittyneet verkkoyhteydet ja sisältötekniikat ovat antaneet mahdollisuuden monipuolisten vuorovaikutustyökalujen toteuttamiseksi. Sähköinen yhteisöllisyys on nouseva trendi, joka tukee arkipäivästä todellisuutta. Verkkojen paikallinen kehitys, niin laajakaistan kuin erilaisten alueverkkojen avulla on nostanut ajatuksia luoda myös paikallista yhteisöllisyyttä globaalien yhteisöpalvelujen rinnalle. Nopeiden alueverkkojen laajentuminen ovat tuoneet edistyneet verkkoyhteydet niin lähiöihin kuin taajamienkin ulkopuolelle. Avointen alueverkkojen mallissa verkko ja palvelukerros ovat eriytetty toisistaan. Ulkopuoliset palveluntarjoajat voivat tarjota palveluitaan suoraan alueverkon käyttäjille lähempänä verkkotasoa, verrattuna perinteiseen yhden verkkooperaattorin malliin. Tämä mahdollistaa uusien innovatiivisempien palveluiden kehittelyn. Tässä diplomityössä tutkittiin mahdollisuuksia joilla voidaan edistää yhteisöllisyyttä paikallisissa alueverkoissa ja hyödyntää niiden paikallista suorituskykyä, sekä resursseja palveluiden toteutuksessa. Työssä selvitettiin ensin mistä käsitteet yhteisö ja yhteisöllisyys ovat muodostuneet. Selvityksen pohjalta tutkittiin mitä teknisiä menetelmiä on yhteisöjen ja yhteisöllisyyden tunteen aikaansaamiseksi olemassa. Selvityksen tuloksena syntyi teknologinen tiekartta tietoverkkoyhteisöllisyyteen, sekä sosiaalisten palvelualustojen luokittelukaavio, joiden tarkoitus on yhdessä kuvastaa yhteisöllisyyttä tukevia palvelumahdollisuuksia. Työn viimeisessä vaiheessa toteutettiin yhteisöllinen alueverkkopalvelu, sekä yhteisövalvontajärjestelmä – lisäarvopalvelukonsepti, jotka pyrkivät hyödyntämään paikallisen alueverkon tarjoamaa suorituskykyä ja resursseja.

The interaction between sulfathiazole and cobalt(II): potentiometric studies

Potentiometric studies of sulfathiazole (HST) in the presence and absence of cobalt(II) were performed. Equilibrium constants for the formation of the detected species, [Co(ST)]+ and [Co(ST)(OH)], are reported. UV-Vis spectrophotometric measurements suggest that the coordination Co(II)-sulfathiazole might be through a N atom, which, in agreement with MO calculations, could be a thiazolic one. In spite of sulfonamides being better ligands at pH >7, [Co(ST)]+ was found at pH » 3.

Electrochemical and theoretical evaluation of the interaction between dna and amodiaquine: evidence of the guanine adduct formation

The electrochemical behavior of the interaction of amodiaquine with DNA on a carbon paste electrode was studied using voltametric techniques. In an acid medium, an electroactive adduct is formed when amodiaquine interacts with DNA. The anodic peak is dependent on pH, scan rate and the concentration of the pharmaceutical. Adduct formation is irreversible in nature, and preferentially occurs by interaction of the amodiaquine with the guanine group. Theoretical calculations for optimization of geometry, and DFT analyses and on the electrostatic potential map (EPM), were used in the investigation of adduct formation between amodiaquine and DNA.

Interaction between cationic and conventional nonionic surfactants in the mixed micelle and monolayer formed in aqueous medium

Mixed micellization and surface properties of cationic and nonionic surfactants dimethyl decyl-, tetradecyl- and hexadecyl phosphineoxide mixtures are studied using conductivity and surface tension measurements. The models of Rubingh, Rosen, and Clint, are used to obtain the interaction parameter, minimum area per molecule, mixed micelle composition, free energies of mixing and activity coefficients. The micellar mole fractions were always higher than ideal values indicating high contributions of cationics in mixed micelles. Activity coefficients were less than unity indicating synergism in micelles. The negative free energies of mixing showed the stability of the surfactants in the mixed micelles.

Interaction of naproxen with calcium carbonate: physicochemical characterization and in vitro drug release studies

Interaction and physicochemical characterization of dispersions of naproxen in calcium carbonate after freeze-drying the wet-state equilibrated mixture have been investigated by analytical methods. The FT-IR study revealed the acid-base reaction between naproxen and calcium carbonate. The DSC study indicated physical interaction and significantly diminished crystallinity of naproxen in the formulation containing higher quantities of calcium carbonate. Furthermore, the SEM study showed the reduced particle size and loss of crystalline morphology in the same sample. Drug release increased with the increase of calcium carbonate in the formulations. Formulation of naproxen with calcium carbonate in 1:2 ratio allowed its dissolution to the greatest extent (94.96%) while other compositions, 1:0.5 and 1:1, showed 80.86% and 78.30% release, respectively.

Caracterização mecânica e estrutural de um dispositivo PDLC baseado em hidrogéis de PAAm e cristal líquido liotrópico LP/DeOH/H2O

In this work, a novel device based on polyacrylamide (PAAm) hydrogels and KL - DeOH - H2O lyotropic liquid crystal (LLC), with potential for application as Polymer Dispersed Liquid Crystals (PDLC), was proposed and its properties characterized. The confinement of LLC promoted significant changes in spectroscopic, morphological, optical, hydrophilic, structural and mechanical properties due to the interaction between the LLC-PAAm matrix and entropic parameter changes. The mechanical and structural properties can be controlled by adjusting AAm, temperature and presence of LLC, which can be useful for technological applications of these systems in optical devices.

Modulating the electronic structure of amino acids: interaction of model lewis acids with anthranilic acid

On the basis of theoretical B3LYP calculations, Yáñez and co-workers (J. Chem. Theory Comput. 2012, 8, 2293) illustrated that beryllium ions are capable of significantly modulating (changing) the electronic structures of imidazole. In this computational organic chemistry study, the interaction of this β-amino acid and five model Lewis acids (BeF1+, Be2+, AlF2(1+), AlF2+, and Al3+) were investigated. Several aspects were addressed: natural bond orbitals, including second order perturbation analysis of intra-molecular charge delocalization and the natural population analysis atomic charges; molecular geometries; selected infrared stretching frequencies (C-N, C-O, and N-H), and selected ¹H-NMR chemical shifts. The data illustrate that this interaction can weaken the H-O bond and goes beyond strengthening the intra-molecular hydrogen bond (N...H-O) to cause a spontaneous transfer of the proton to the nitrogen atom in five cases generating zwitterion structures. Many new features are observed. Most importantly, the zwitterion structures include a stabilizing hydrogen bond (N-H...O) that varies in relative strength according to the Lewis acid. These findings explain the experimental observations of α-amino acids (for example: J. Am. Chem. Soc. 2001, 123, 3577) and are the first reported fundamental electronic structure characterization of β-amino acids in zwitterion form.

Technological and business challenges of smart grids

Growing recognition of the electricity grid modernization to enable new electricity generation and consumption schemes has found articulation in the vision of the Smart Grid platform. The essence of this vision is an autonomous network with two-way electricity power flows and extensive real-time information between the generation nodes, various electricity-dependent appliances and all points in-between. Three major components of the Smart Grids are distributed intelligence, communication technologies, and automated control systems. The aim of this thesis is to recognize the challenges that Smart Grids are facing, while extinguishing the main driving factors for their introduction. The scope of the thesis also covers possible place of electricity Aggregator Company in the current and future electricity markets. Basic functions of an aggregator and possible revenue sources along with demand response feasibility calculations are reviewed within this thesis.

Interaction study of moxifloxacin with Cu(II) ion using square-wave voltammetry and its application in the determination in tablets

This work presents an electroanalytical method for the determination of moxifloxacin (MOXI) in tablets by its interaction with Cu(II) ion and subsequent electrochemical reduction at hanging mercury drop electrode (HMDE). A well-defined reduction peak at -0.21 V vs. Ag/AgCl in Phosphate buffer 0.04 mol L-1 pH 8.0 was observed for the complex reduction MOXI-Cu(II), using square-wave voltammetry (SWV). Using a 10 s of accumulation time at -0.40 V was found a limit detection of 3.60x10-8 mol l-1. The obtained results have shown good agreement with those obtained by spectrophotometric method.