Data Collection Agent Framework

Ohjelmistoteollisuudessa pitkiä ja vaikeita kehityssyklejä voidaan helpottaa käyttämällä hyväksi ohjelmistokehyksiä (frameworks). Ohjelmistokehykset edustavat kokoelmaa luokkia, jotka tarjoavat yleisiä ratkaisuja tietyn ongelmakentän tarpeisiin vapauttaen ohjelmistokehittäjät keskittymään sovelluskohtaisiin vaatimuksiin. Hyvin suunniteltujen ohjelmistokehyksien käyttö lisää suunnitteluratkaisujen sekä lähdekoodin uudelleenkäytettävyyttä enemmän kuin mikään muu suunnittelulähestymistapa. Tietyn kohdealueen tietämys voidaan tallentaa ohjelmistokehyksiin, joista puolestaan voidaan erikoistaa viimeisteltyjä ohjelmistotuotteita. Tässä diplomityössä kuvataan ohjelmistoagentteihin (software agents) perustuvaa ohjelmistokehyksen suunnittelua toteutusta. Pääpaino työssä on vaatimusmäärittelyä vastaavan suunnitelman sekä toteutuksen kuvaaminen ohjelmistokehykselle, josta voidaan erikoistaa erilaiseen tiedonkeruuseen kykeneviä ohjelmistoja Internet ympäristöön. Työn kokeellisessa osuudessa esitellään myös esimerkkisovellus, joka perustuu työssä kehitettyyn ohjelmistokehykseen.

Borohidreto complexos de cobre (I) contendo difosfinas: caracterização espectroscópica e comportamento térmico

Tetrahydroborate complexes of copper (I) with bidentate phosphines, [Cu(eta²-BH4)(dppm)] (1), [Cu(eta²-BH4)(dppe)] (2), [Cu(eta²-BH4)(cis-dppet)] (3) and [Cu(eta²-BH4)(dppb)] (4) (dppm = bis(diphenylphosphino)methane; dppe = 1,2-bis(diphenylphosphino) ethane; cis-dppet = 1,2-cis(diphenylphosphino)ethene; dppb = 1,4-bis(diphenylphosphino)butane) were prepared and characterized by elemental analysis, infrared spectroscopy, NMR and thermogravimetric analysis. The IR data for 1-4 showed bands typical of a bidentate coordination of BH4 group to the copper atom and the 31P{¹H} NMR spectra indicated that the phosphorous atoms are chelating the metal centre. The thermal behavior of the compounds was investigated and suggested that their thermal stability is influenced by the phosphines. Their thermal stability decreased as follows: [Cu(eta²-BH4)(dppe)] (2) > [Cu(eta²-BH4)(dppm)] (1) > [Cu(eta²-BH4)(dppb)] (4) > [Cu(eta²-BH4)(cis-dppet)] (3). According to thermal analysis and X-ray diffraction patterns all compounds decomposed giving Cu(BO2)2, CuO, CuO2 and Cu as final products.

Reciclagem química de zeólitas comerciais desativadas

Pyro and hydrometallurgical processes were applied to the treatment of spent commercial zeolites (a molecular sieve and a ZSM-5 sample). Both catalysts were employed in pilot plant units. They were kept in their original shape, they were not regenerated and were not subjected neither to mechanical stress nor to overheating zones during their time on-stream. Two recycling processes were tested: (i) direct solubilization of samples in mixtures of HF + H2O2 (60 ºC, 1 h). Although silicon was solubilized, insoluble matter was found in both samples, particularly in the molecular sieve, due to its high amounts of alkaline and alkaline-earth metals; (ii) fusion with KHSO4 (5 h, 600 ºC) with KHSO4/zeolite mass ratio 6:1. After fusion the solid was solubilized in water (100 ºC), leaving silicon as SiO2 residue. In both processes, solubilized metals were isolated by conventional selective precipitation techniques. Analysis of final products by common analytical methods shows that metals present in the original catalysts were recovered with very high yields except when the molecular sieve was treated with HF + H2O2. This reactant mixture proved to be suitable for processing zeolites with a low alkaline and alkaline-earth metal content whereas fusion with KHSO4 appeared to be adequate for all types of zeolites.

Sínteses química e enzimática de peptídeos: princípios básicos e aplicações

This review begins with a brief discussion of the biological importance and chemical features of peptides. A description of the existing synthetic methods follows with emphasis on the basic aspects of the chemical and enzymatic syntheses. Techniques used to purify and characterize the synthesized peptides are also discussed. Finally, a few applications of the final products in chemistry, biochemistry, immunology and medicine are presented, such as identification and quantification of naturally occurring peptides, inspection of structure-activity relationships, therapeutics, development and/or improvement of analytical techniques and search for new vaccines.

A destilação simulada na indústria do petróleo

One of the most widely used physico-chemical characterizations of hydrocarbon mixtures is the determination of their boiling point distribution. Knowledge of the boiling range of crude oils and petroleum products is essential to ensure the correct specification of final products and to control refinery processes. Simulated distillation, a GC based process, has been playing this role for the past decades in the petroleum industry. The main purpose of this work is to show the fundamentals of this technique as well as its present trends.

Extração líquido-líquido de ferro(III) e titânio(IV) pelo ácido bis-(2-etil-hexil) fosfórico (D2EHPA) em meio de ácido sulfúrico

This work presents a study on the separation of Fe(III) and Ti(IV) from sulfuric acid leaching solutions of ilmenite (FeTiO3) using liquid-liquid extraction with D2EHPA in n-dodecane as extracting agent. The distribution coefficients (K D) of the elements related to free acidity and concentration of Fe(III) and Ti(IV) were determined. Free acidity was changed from 3x10-2 to 11.88 mol L-1 and D2EHPA concentration was fixed at 1.5 mol L-1. Recovery of final products as well as recycling of wastes generated in the process were also investigated. The LLE process as a feasible alternative to obtain high-purity TiO2.

Quantificação de antimônio em garrafas de politereftalato de etileno (PET) brasileiras por fluorescência de raios-X e avaliação quimiométrica para verificar a presença de pet reciclado através do teor de ferro

Antimony is a common catalyst in the synthesis of polyethylene terephthalate used for food-grade bottles manufacturing. However, antimony residues in final products are transferred to juices, soft drinks or water. The literature reports mentions of toxicity associated to antimony. In this work, a green, fast and direct method to quantify antimony, sulfur, iron and copper, in PET bottles by X-ray fluorescence spectrometry is presented. 2.4 to 11 mg Sb kg-1 were found in 20 samples analyzed. The coupling of the multielemental technique to chemometric treatment provided also the possibility to classify PET samples between bottle-grade PET/recycled PET blends by Fe content.

PRODUÇÃO DE BIODIESEL A PARTIR DE ÁCIDOS GRAXOS PROVENIENTES DO REFINO DE ÓLEOS VEGETAIS VIA CATÁLISE ÁCIDA HETEROGENEA E MICRO-ONDAS

This work presents the biofuel production results of the esterification of fatty acids (C12-C18) and high-acid-content waste vegetable oils from different soap stocks (soybean, palm, and coconut) with methanol, ethanol, and butanol by acid catalysis. We used Amberlyst-35 (A35) sulfonic resin as a heterogeneous acid catalyst and p-toluenesulfonic acid as a homogeneous catalyst for comparison. Both the heterogeneous (A35) and homogeneous (p-toluenesulfonic acid) reactions were performed with 5% w/w of catalyst. The final products were analyzed by proton nuclear magnetic resonance (1H NMR). The homogeneous catalyzed esterification of fatty acids with methanol, ethanol, and butanol produced esters with yields higher than 90%. In the reaction with fatty acids and methanol catalyzed by A35, the best results were achieved with lauric acid and methanol, with a yield of 97%. An increase in the hydrocarbon chain decreased the rate of conversion and yield for stearic acid with methanol, which was 90%. Maximum biodiesel production was achieved from coconut and soybean soap stocks and methanol (96%-98%), which showed conversions very close to those obtained from their respective fatty acids. Microwave irradiation reduced the reaction time from 6 to 1 h in the esterification reaction of fatty acids with butanol.

Magnetic, thermal and spectral behaviour of 3-chloro-2-nitrobenzoates of Co(II), Ni(II), and Cu(II)

Physico-chemical properties of 3-chloro-2-nitrobenzoates of Co(II), Ni(II) and Cu(II) were synthesized and studied. The complexes were obtained as mono- and dihydrates with a metal ion to ligand ratio of 1 : 2. All analysed 3-chloro-2-nitrobenzoates are polycrystalline compounds with colours depending on the central ions: pink for Co(II), green for Ni(II) and blue for Cu(II) complexes. Their thermal decomposition was studied in the range of 293 ­ 523 K, because it was found that on heating in air above 523 K 3-chloro-2-nitrobenzoates decompose explosively. Hydrated complexes lose crystallization water molecules in one step and anhydrous compounds are formed. The final products of their decomposition are the oxides of the respective transition metals. From the results it appears that during dehydration process no transformation of nitro group to nitrite takes place. The solubilities of analysed complexes in water at 293 K are of the order of 10-4 ­ 10-2 mol / dm³. The magnetic moment values of Co2+, Ni2+ and Cu2+ ions in 3-chloro-2-nitrobenzoates experimentally determined at 76 ­ 303 K change from 3.67µB to 4.61µB for Co(II) complex, from 2.15µB to 2.87µB for Ni(II) 3-chloro-2-nitrobenzoate and from 0.26µB to 1.39µB for Cu(II) complex. 3-Chloro-2-nitrobenzoates of Co(II) and Ni(II) follow the Curie-Weiss law. Complex of Cu(II) forms dimer.

Hydrogen production from cassava processing wastewater in an anaerobic fixed bed reactor with bamboo as a support material

Attempting to associate waste treatment to the production of clean and renewable energy, this research sought to evaluate the biological production of hydrogen using wastewater from the cassava starch treatment industry, generated during the processes of extraction and purification of starch. This experiment was carried out in a continuous anaerobic reactor with a working volume of 3L, with bamboo stems as the support medium. The system was operated at a temperature of 36°C, an initial pH of 6.0 and under variations of organic load. The highest rate of hydrogen production, of 1.1 L.d-1.L-1, was obtained with application of an organic loading rate of 35 g.L-1.d-1, in terms of total sugar content and hydraulic retention time of 3h, with a prevalence of butyric and acetic acids as final products of the fermentation process. Low C/N ratios contributed to the excessive growth of the biomass, causing a reduction of up to 35% in hydrogen production, low percentages of H2 and high concentrations of CO2in the biogas.

Biopohjaiset polymeerit dispersiopäällystyksessä

Työn aiheena oli tehdä muotoiltavissa oleva rasvankestävä pakkauskartonki. Polymeeridispersiopäällystettyjä pakkauskartonkeja käytetään kertakäyttöisissä tuotteissa kuten vuoissa, kupeissa ja lautasissa. Tuotteiden on kestettävä rasvaa niiden lopputarkoituksen mukaisesti. Pakkausala jatkaa vuosittaista kasvuaan vauhdilla. Uusia kierrätettäviä biopohjaisia ja luonnolle ystävällisempiä pakkaustuotteita on kehitettävä kasvun tyydyttämiseksi. Biopohjaiset pakkaustuotteet ovat mahdollisia ratkaisuja ympäristöön kohdistuvien ongelmien vähentämiseksi ja öljypohjaisten raaka-aineiden korvaajiksi. Diplomityön teoriaosuudessa keskityttiin dispersiopäällystyksessä käytettyihin biopolymeereihin ja niiden toimivuuteen suojaavina kalvoina. Teoriaosuudessa käsiteltiin myös rasvankestoa ja rasvankestävien tuotteiden materiaaliominaisuuksia. Kirjallisuuden perusteella havaittiin luonnonpolymeerien alhaisen kuiva-ainepitoisuuden ja korkean päällystemäärätarpeen muodostamat haasteet dispersiopäällystyksessä. Pohjakartongin karheudella ja tiiveydellä sekä suojaavan polymeerin kalvon rakenteella huomattiin olevan suuri merkitys rasvankeston saavuttamiseksi. Kokeellinen osa jakautui kolmeen osakokonaisuuteen: laboratoriokokeisiin, esipilotointiin ja varsinaiseen pilot-koeajoon. Esikokeiden perusteella suojaavat kalvot, joiden raaka-aineena käytettiin biopohjaisia dispersiopolymeerejä, antoivat riittäviä rasvankesto-ominaisuuksia, mutta eivät kestäneet konvertointia. Pienellä synteettisten polymeerien lisäyksellä pystyttiin parantamaan päällystettyjen kartonkien rasvankestoa sekä konvertoitavuutta. Pilot-koeajonäytteiden testaustulokset tukivat esikokeissa tehtyjä havaintoja. Tämän työn perusteella kohtuullinen lisäysmäärä synteettistä polymeeriä voi parantaa merkittävästi biopohjaisen suojaavan kalvon antamaa rasvankestoa sekä päällystetyn kartongin konvertoitavuutta.

Wet oxidation of biomass for chemical production

Tämän kandidaatintyön tarkoituksena oli tutkia märkähapetusprosessia jätevesien käsittely-menetelmänä ja mahdollisena menetelmänä kemikaalien tuottamiseksi jätevesistä. Erityishuomio on kiinnitetty paperiteollisuudessa syntyviin jätevesiin. Teoriaosassa käsitellään vesikiertoja paperitehtaassa, paperitehtaalla syntyvän jäteveden ominaisuuksia sekä itse märkähapetusprosessia. Märkähapetusprosessissa perehdytään tavalliseen happea käyttävään märkähapetukseen sekä vetyperoksidia käyttävään menetelmään sekä näissä prosesseissa syntyviin väli- ja lopputuotteisiin. Märkähapetus (WO) on terminen hapetusmenetelmä, jolla voidaan käsitellä jätevesiä, jotka ovat liian konsentroituja biologisiin käsittelyihin tai jotka ovat huonosti biohajoavia. Märkähapetuksen tarkoituksena on parantaa molekulaarisen hapen ja orgaanisen aineen välistä kontaktia, jolloin orgaaninen aines pilkkoutuu muodostaen pääasiassa karboksyylihappoja, aldehydejä, hiilidioksidia ja vettä. Märkähapetuksessa hapettavana kaasuna voidaan käyttää joko puhdasta happea tai ilmaa. Vetyperoksidia käyttävässä märkähapetuksessa (WPO) hapettava kaasu on korvattu nestemäisellä vetyperoksidilla. Kokeellisessa osassa tutkittiin orgaanisen aineksen hapetusta käyttäen Fentonin reagenssia, jolloin katalyyttina reaktiossa toimii rautaionit (Fe2+ ja Fe3+) ja hapettimena vetyperoksidi. Hapetettavana jätevetenä käytettiin paperitehtaan hiomolta saatua kiertovettä, TMP-vettä. Hapetuskokeita tehtiin eri vetyperoksidin annoksilla ja katalyytin määrillä eri lämpötiloissa. Hapetuksen jälkeen näytteistä mitattiin kemiallinen hapenkulutus (COD), orgaanisen hiilen kokonaismäärä (TOC) sekä pH. Lisäksi näytteistä määritettiin nestekromatografilla (HPLC) tyypillisten välituotteiden, kuten oksaalihapon, muurahaishapon ja etikkahapon, määrät. Tehdyissä kokeissa COD-arvoja saatiin pienennettyä 50-88 % siten, että suodatetuissa näytteissä muutos oli suurempi kuin suodattamattomissa näytteissä. Lisäksi TOC-arvot laskivat 28-58 %. Tehdyissä kokeissa saatiin myös tuotettua välituotteina karboksyylihappoja, joista etikkahappoa ja oksaalihappoa tuotettiin suurimmat määrät. Myös muurahaishappoa ja meripihkahappoa saatiin tuotettua.

Defining the keyhole modes – the effects on the weld geometry and the molten pool behaviour in high power laser welding of stainless steels

Keyhole welding, meaning that the laser beam forms a vapour cavity inside the steel, is one of the two types of laser welding processes and currently it is used in few industrial applications. Modern high power solid state lasers are becoming more used generally, but not all process fundamentals and phenomena of the process are well known and understanding of these helps to improve quality of final products. This study concentrates on the process fundamentals and the behaviour of the keyhole welding process by the means of real time high speed x-ray videography. One of the problem areas in laser welding has been mixing of the filler wire into the weld; the phenomena are explained and also one possible solution for this problem is presented in this study. The argument of this thesis is that the keyhole laser welding process has three keyhole modes that behave differently. These modes are trap, cylinder and kaleidoscope. Two of these have sub-modes, in which the keyhole behaves similarly but the molten pool changes behaviour and geometry of the resulting weld is different. X-ray videography was used to visualize the actual keyhole side view profile during the welding process. Several methods were applied to analyse and compile high speed x-ray video data to achieve a clearer image of the keyhole side view. Averaging was used to measure the keyhole side view outline, which was used to reconstruct a 3D-model of the actual keyhole. This 3D-model was taken as basis for calculation of the vapour volume inside of the keyhole for each laser parameter combination and joint geometry. Four different joint geometries were tested, partial penetration bead on plate and I-butt joint and full penetration bead on plate and I-butt joint. The comparison was performed with selected pairs and also compared all combinations together.

Photocytotoxicity of a 5-nitrofuran-ethenyl-quinoline antiseptic (Quinifuryl) to P388 mouse leukemia cells

Quinifuryl (MW 449.52), 2-(5'-nitro-2'-furanyl)ethenyl-4-{N-[4'-(N,N-diethylamino)-1'-methylbutyl]carbamoyl} quinoline, is a water soluble representative of a family of 5-nitrofuran-ethenyl-quinoline drugs which has been shown to be highly toxic to various lines of transformed cells in the dark. In the present study, the toxicity of Quinifuryl to P388 mouse leukemia cells was compared in the dark and under illumination with visible light (390-500 nm). Illumination of water solutions of Quinifuryl (at concentrations ranging from 0.09 to 9.0 µg/ml) in the presence of P388 cells resulted in its photodecomposition and was accompanied by elevated cytotoxicity. A significant capacity to kill P388 cells was detected at a drug concentration as low as 0.09 µg/ml. The toxic effect detected at this drug concentration under illumination exceeded the effect observed in the dark by more than three times. Moreover, the general toxic effect of Quinifuryl, which included cell proliferation arrest, was nearly 100%. Both dose- and time-dependent toxic effects were measured under illumination. The LC50 value of Quinifuryl during incubation with P388 cells was ~0.45 µg/ml under illumination for 60 min and >12 µg/ml in the dark. We have demonstrated that the final products of the Quinifuryl photolysis are not toxic, which means that the short-lived intermediates of Quinifuryl photodecomposition are responsible for the phototoxicity of this compound. The data obtained in the present study are the first to indicate photocytotoxicity of a nitroheterocyclic compound and demonstrate the possibility of its application as a photosensitizer drug for photochemotherapy.

Effect of different sweetener blends and fat types on ice cream properties

The development of processed foods requires the understanding of the phenomena that dictate the ingredient interactions normally used in food formulations, as well as the effects of the numerous operations involved in the processing of the final product. In ice creams, sugars are responsible for taste, but they also affect the freezing behavior and viscosity of processed mixes. Components such as fats influence mechanical properties, melting resistance, and palatability of final products. The objective was to study the technological effects of different sugars and fats on the structure of ice cream formulations. Fructose syrup was used as a substitute for glucose syrup in blends with sucrose, and palm fat was employed as an alternative to hydrogenated vegetable fat. The analysis of variance showed significant differences in chemical compositions. Hygroscopicity of fructose syrup increased the solids content in the formulations. Melting rate and overrun were higher in products added with this sugar. Palm fat caused changes in melting ranges of formulations, and higher melting rate was observed in the combination of palm fat and fructose syrup.