Orientador: Douglas Soares Galvão / Tese (doutorado) - Universidade Estadual de Campinas, Instituto de Fisica Gleb Wataghin / Made available in DSpace on 2018-08-10T18:28:40Z (GMT). No. of bitstreams: 1 Sato_Fernando_D.pdf: 7711328 bytes, checksum: 22c01d9be26cdd21cf062f6b8f62cde0 (MD5) Previous issue date: 2007 / Resumo: Neste trabalho utilizamos métodos de física computacional para descrever o comportamento estrutural de formação de cadeias atômicas lineares suspensas (LACs) (i ) e de uma estrutura orgânica sobre superfície metálica (ii ). Ambos os temas foram desenvolvidos sobre o ponto de vista de física computacional e comparados com resultados experimentais específicos provenientes da estreita colaboração em grupos experimentais. Desenvolvemos uma metodologia para estudo sistemático da formação de nanofios (i ) metálicos a partir de aglomerados (clusters) compostos por átomos puros (Au, Ag, Cu) e a partir de ligas bi-metálicas (Au-Ag). A metodologia se baseou nas equações de movimento de Newton (método de dinâmica molecular clássica) utilizando um potencial parametrizado de origem quântica, denominado potencial de ligações fortes com aproximação de segundos momentos (TB-SMA). Com a metodologia desenvolvida foi possível realizar um estudo estatístico da formação de cadeias atômicas lineares suspensas, a verificação de aglomerados até então somente vistos em estudos direcionados a clusters, a observação de defeitos de empilhamento e a previsão de novas estruturas. Estudamos aspectos da geometria de uma molécula orgânica denominada Violeta Lander (ii ) (VL) com métodos clássicos e semi-empíricos no vácuo. A VL é uma das moléculas da classe das moléculas de Lander. Após a descrição geométrica, colocamos a VL sobre uma superfície de Cu[110] para verificar posições e conformações de estabilidade através de métodos clássicos de mecânica molecular. Para entender o comportamento dinâmico da VL sobre uma superfície de Cu[110] utilizamos um método clássico de dinâmica molecular utilizando o potencial Universal Force Field (UFF). A relevância desta parte do trabalho reside no fato de investigarmos, pela primeira vez, um caso análogo ao efeito chave-fechadura não biológico estudado no ambiente experimental e teórico de simulação. Ambos os trabalhos nos remetem para o campo da nanociência, servindo de base para futuras aplicações em nanotecnologia, tais como contatos elétricos e interação de sistemas orgânicos sobre superfície metálica / Abstract: In this work we use tools of computational physics to describe the structural and formation behavior of metallic nanowires (i ) and an organic structure on metallic surface (ii ). Both subjects had been developed under computational physics point of view and compared to specific experimental data from our close collaborations with experimental and theoretical groups. In this part of the work we developed a methodology for systematic study of the formation of metallic nanowires (i ) from clusters composed by pure atoms (Au, Ag and Cu) and from bi-metallic alloys (Au-Ag). The methodology was based on the Newton equations of motion (traditional method of molecular dynamics) together with a parametrized potential of quantum origin, named Tight-binding potential with second moment approximations (TB-SMA). With the developed methodology it was possible to carry out a statistical study of suspended linear atomic chains formation from clusters and to predict new structures and defects, stacking faults, among others. We also studied aspects of the geometry of an organic molecule called Violet Lander (VL) (ii ) with classic and semi-empirical methods in vacuum and also deposited over copper [110]. The VL is one of molecules of the Lander molecules class. The great relevance of this part of the work is because we addressed and explained the rst non-biological lock-key eect in the experimental and theoretical environment. Both the works have a great nanoscience appeal, being one of its bases. It will have great importance in future applications of nanotechnology as electric contacts and organic-metallic interaction based devices / Doutorado / Física da Matéria Condensada / Doutor em Ciências

Submitted by Nadir Basilio (nadirsb@uninove.br) on 2017-04-27T18:10:59Z No. of bitstreams: 1 Cristina Silveira da Silva.pdf: 1525168 bytes, checksum: c8777d95365a6771207361a1332fe0e7 (MD5) / Made available in DSpace on 2017-04-27T18:10:59Z (GMT). No. of bitstreams: 1 Cristina Silveira da Silva.pdf: 1525168 bytes, checksum: c8777d95365a6771207361a1332fe0e7 (MD5) Previous issue date: 2016-08-31 / In cutting process, the cutting fluids are used for lubrication and cooling. However, its composition rich in organic components and the use of water as solvent make the fluid a favorable environment for the microorganisms proliferation. One of the ways to control this contamination is using bactericides, that over time, become a problem, both for the operator and for the part / machine. Ultraviolet radiation, which is widely known for its action on the partial elimination of microorganisms on surfaces, can be quite efficient in controlling or even eliminating contaminants. In order to contribute to the theme, this work aims to treat cutting fluid through the application of ultraviolet radiation. For this, a device specially developed for this purpose was used. In order to verify the efficiency of the procedure, the flow rate and the number of lamps used were changed through a previous experiment planning. The results of the tests confirmed the efficiency of the use of ultraviolet light together with related device, to controlling the microorganisms present in the cutting fluid. / Em usinagem os fluidos de corte são utilizados para lubrificação e refrigeração. Porém, sua composição rica em componentes orgânicos e a utilização de água como solvente tornam o fluido um ambiente favorável para a proliferação de microrganismos. Uma das maneiras de se controlar essa contaminação é a adição de bactericidas que ao longo do tempo se tornam um problema, tanto para o operador quanto para a peça/máquina. A radiação por ultravioleta que é amplamente conhecida por sua ação na eliminação parcial de microrganismos em superfícies, pode ser bastante eficiente no controle ou até mesmo eliminação dos contaminantes. Com o intuito de contribuir com o tema, este trabalho objetiva tratar fluido de corte por meio da aplicação de luz ultravioleta. Para isto, foi utilizado um dispositivo especialmente desenvolvido para tal finalidade. Para verificar a eficiência do procedimento, foram alterados, por meio de um planejamento de experimentos, a vazão e a quantidade de lâmpadas utilizadas. Os resultados dos testes realizados confirmaram a eficiência do emprego da luz ultravioleta, juntamente com o referido dispositivo, no controle dos microrganismos presentes no fluido de corte utilizado.

Les profils de viabilité sur surface, de virus non enveloppés : murine minute virus (MVM), coxsackievirus B4 (CVB4), virus simien 40 (SV40), et de virus enveloppés : virus de grippe A (H1N1), et virus herpès simplex de type 1 (HSV-1), ainsi que la résistance à la chaleur et aux ultraviolets C (UVc) de ces virus ont été étudiés.Pour déterminer la viabilité de MVM, CVB4, H1N1 et HSV-1 sur surface, 50 µL de suspension virale ont été déposées sur des couvercles de boites de Pétri et séchés sous un flux d’air avant d’être récupérés et titrés sur des lignées cellulaires appropriées. Les virus enveloppés ont persisté moins de 5 jours alors que CVB4 et MVM restent infectieux pendant plusieurs semaines. Cependant, les cycles répétés de séchage et de remise en suspension ont eu un effet plus virucide sur CVB4 que sur H1N1 et HSV-1. Aucun effet des répétitions de ces cycles n’a été observé sur le titre infectieux du MVM. Quand il est exposé au séchage, les concentrations initiales d’albumine de sérum bovin, de sérum de veau fœtal et de chlorure de sodium, ont un impact sur la survie de CVB4. Dans un milieu riche en protéines, CVB4 a été plus facilement inactivé par le séchage, alors qu’en présence de chlorure de sodium le pouvoir virucide du séchage a été réduit. Ces résultats montrent que la résistance des virus vis-à-vis du séchage, n’est pas due à une hétérogénéité de populations virales, mais peut être influencée par la composition du milieu et la concentration des composants.Nous avons évalué la résistance thermique de MVM, CVB4, H1N1 et HSV-1 contenus dans des gouttelettes. Quatre microlitres de suspension virale ont été déposés sur une surface chauffée et exposés à des températures comprises entre 70 et 130°c pendant 0 à 90min, selon le virus, avant d’être titrés. Clairement, MVM a été plus résistant que H1N1, lui-même plus résistant que HSV-1 et CVB4. Pour la première fois, l’inactivation de particules virales contenues dans des gouttelettes exposées à des températures supérieures à 100°C a été étudiée. Il apparaît que le chauffage peut provoquer un effet plus rapidement virucide que décrit précédemment.La résistance aux UVc (254nm) de MVM, CVB4, H1N1, HSV-1 et SV40 contenus dans des gouttelettes a été évaluée. Les virus à ADN double brins (HSV-1 et SV40) restaient infectieux après une exposition à 60mJ/cm² d’UVc, tandis que les virus à ARN (H1N1 et CVB4) et un virus à ADN simple brin (MVM) ont été totalement inactivés par une exposition inférieure ou égale à 35mJ/cm² d’UVc. De plus l’effet des UVc combiné à la chaleur sur la viabilité de MVM a été déterminé. Le titre infectieux de MVM, contenu dans une gouttelette a été totalement inactivé après une exposition à 27mJ/cm² d’UVc. Le chauffage (20s à 100°C) a provoqué une réduction modérée du titre viral de MVM (-1.8 log10TCID50), alors que le chauffage suivi par une exposition à 17mJ/cm² d’UVc entraine une inactivation complète.En conclusion, nos études montrent que les virus peuvent persister pendant des jours voire des semaines sur une surface hydrophobe. Le profil de résistance des virus vis-à-vis du séchage, n’est pas dû à une hétérogénéité de populations virales, comme l’ont montré les résultats obtenus avec CVB4. De plus, dans la mesure où la composition du milieu joue un rôle dans la viabilité des virus exposés au séchage, la persistance des virus devrait être étudiée dans des milieux naturels plutôt que dans des milieux définis. L’impact de temps d’exposition courts à la chaleur sur les virus contenus dans de petits volumes de suspension a été déterminé. La résistance thermique de H1N1 jusqu’à 100°C, supérieure à celle d’HSV-1, un autre virus enveloppé, et à celle de CVB4 un virus non-enveloppé a été observée. Une inactivation virale efficace peut être obtenue en combinant une exposition aux UVc et à la chaleur comme le montrent les résultats obtenus avec MVM. / The pattern of viability of non-enveloped viruses, minute virus of mice (MVM), coxsackievirus B4 (CVB4), and simian virus 40 (SV40) and enveloped-viruses, influenza A virus (H1N1), and herpes simplex virus type 1 (HSV-1) onto surfaces and their resistance to heating and to ultraviolet C (UVc) exposure have been investigated. To determine the viability of MVM, CVB4, H1N1 and HSV1 on surface, fifty microliters of viral suspension were applied onto petri dish lids and dried under air flow of biosafety cabinet. The recovered viral preparations were titered on appropriate cell cultures. Enveloped viruses persisted for less than 5 days while CVB4 and MVM persisted for weeks. However, repetitive cycles of drying and resuspension had more virucidal effect on CVB4 than on H1N1 and HSV-1. No effect of these repetitive cycles on infectious titer of MVM was recorded. When exposed to drying, initial concentrations of bovine serum albumin, foetal calf and sodium chloride (NaCl) had an impact on the viability of CVB4. In a protein rich medium, CVB4 was more likely inactivated by drying whereas in presence of NaCl, the impact of drying was reduced. Thus, it appears that the resistance of viruses toward drying is not due to a heterogeneity of viral populations, but it can be influenced by media composition and components concentrations.Heat inactivation of viruses was reported, however, the thermal resistance of viruses in droplets has not been studied. We evaluated the pattern of heat resistance of MVM, CVB4, H1N1 and HSV1 contained in droplets. Four microliters droplets containing viruses were applied onto warmed surface obtained by using a self-made heating device. Viral suspensions were exposed to temperatures ranging from 70 to 130°C for 0 to 90 min depending on the virus, and then the recovered viral preparations were titered. Clearly, MVM was more resistant than H1N1 that was more resistant than HSV-1 and CVB4. For the first time, the inactivation of viral particles contained in drops exposed to temperatures higher than 100°C has been investigated. It appears that heating can have an unexpected faster virucidal effect than previously described. The resistance to ultraviolet C (UVc) (254nm) of MVM, CVB4, H1N1, HSV-1 and SV40 contained in droplets has been evaluated. Double-stranded DNA viruses (HSV-1 and SV40) were still infectious after exposure to 60 mJ/cm² UVc, while RNA viruses H1N1, CVB4 and single-stranded DNA virus MVM were fully inactivated when they were exposed to a dose equal to or lower than 35 mJ/cm² UVc. Moreover the effect of UVc (254 nm) combined with heating onto the viability of MVM was determined. The infectious level of MVM suspension droplets applied onto petri dish lids was fully inactivated when exposed to 27 mJ/cm² UVc. Heating (100°C for 20s) provoked a moderate reduction of infectious level (-1.8 log10TCID50) of MVM, whereas heating followed by UVc exposure (17 mJ/cm²) resulted in a full inactivation.In conclusion, our studies show that viruses can persist for days or even weeks on dry hydrophobic surfaces. The pattern of resistance of viruses toward drying is not due to a heterogeneity of viral population as shown by results obtained with CVB4. In so far as media composition play a role in the viability of viruses exposed to drying, the persistence of viruses in natural media (clinical or environmental), instead of defined media, should be investigated. The impact of short time exposure to heat onto the infectivity of viruses contained in a small volume of suspension has been determined. The thermal resistance of H1N1 up to 100°C, higher than the one of HSV1 another enveloped virus, and CVB4 a non-enveloped virus has been observed. An efficient viral inactivation can be obtained by combining UVc exposure and heating as shown by results obtained with MVM.

The presence of flowers is felt in Catholic architecture, literature, artwork, personal histories and devotional practices. This, however, has not always been the case. The Catholic Church has had a long and tumultuous relationship with flowers, the focus of which has been the subject of considerable scholarship (e.g. Fisher (2011, 2007), Ward (1999), Winston-Allen (1997), Goody (1993), Coats (1970)). What has not been much considered is a phenomenological treatment of Catholic floral experience, and how such experiences have shaped individual and shared understandings of the Catholic faith. This thesis seeks to redress this omission through an exploration of the life of the Polish Catholic mystic, St. Faustina Kowalska (1905-1938), whose mystical experiences with the divine were explicitly mediated and narrated through flowers. Through Faustina’s diary, Divine Mercy in my Soul, we gain access to powerful, and unequivocally Catholic, experiences with flowers which comprise the very centre of her religious convictions. This thesis queries the ways in which flowers have dynamically shaped, and have been shaped by, St. Faustina's relationship with God and Catholic holy figures. To address this question I use the semiotic, phenomenological and hermeneutic approach of Max van Manen. Van Manen uses four elements of lived experience he calls lifeworld existentials, these are: lived space, lived time, lived body and lived relationality. These four categories are applied to St. Faustina’s life as she engages with God spatially, temporally, corporeally and relationally; each reveals the centrality of flowers in her religious experiences. While this thesis focuses on the religio-floral experiences of a particular mystic-saint, its significance lies also in the broader Catholic narrative of which it is a part. Writing about flowers was a transformative medium in Faustina's life and has been historically significant in the lives of many other Catholic saints and mystics who recorded similar experiences. This thesis, in describing the details of St. Faustina’s floral-saturated experiences from her diary, reveals a particularized instance of a paradigmatic Catholic phenomenon whereby flowers provide access to the sacred.

Efficient and economic treatment of low concentration organic pollutants in water, wastewater or industrial process streams is normally very difficult to achieve. Activated carbon has been widely used for contaminant adsorption, but there are problems associated with its regeneration. In this work, a novel, non-porous, highly-conducting graphite intercalation compounds material (GIC) is used. The use of such an adsorbent can significantly reduce the time required to achieve both equilibrium and electrochemical regeneration. This character allows the design of an innovative treatment process that can adsorb contaminants and electrochemically regenerate itself simultaneously within a single unit. A novel liquid-lift reactor for water treatment by an adsorption and electrochemical regeneration process is developed in this work. Batch experiments are carried out to determine the adsorption kinetics and equilibrium isotherm of adsorption Acid Violet 17 onto the GIC adsorbent. The experimental kinetic data are analyzed using the pseudo-first order, pseudo-second order, intra-particle diffusion and three-stage kinetic models. The linear pseudo-second order model offers the highest r2 correlation coefficient. The experimental isotherm data are analyzed using Langmuir, Freundlich and Tempkin isotherm models. The non-linear Langmuir model gives the highest r2 correlation coefficient. High regeneration efficiency (more than 90%) over a number of cycles is obtained by passing a charge of 6.4 C g-1 of the GIC adsorbent, at a current density of 5 mA cm-2 using a batch, sequential adsorption (60 min) and electrochemical regeneration (30 min) process. The simultaneous adsorption and regeneration process indicates that 100 % AV 17 can be removed in 60 min (4L of 100 mg L-1 AV 17 solution, 140g of the GIC adsorbent, current density of 5mA cm-2). The flow behaviour in the electrochemical reactor has been studied using a pulse tracer technique. The residence time distribution shows that the flow behaviour in the liquid-spouted reactor can be regarded as a plug flow in series with a continuous stirred tank reactor. For the batch adsorption system, a “parallel adsorption barren well hypothesis” is proposed in this thesis. For the batch simultaneous adsorption and electrochemical regeneration system, a multi-parameter model is proposed in this thesis.

The violet copper (Lycaena helle) is one of Europe’s most endangered butterflies as a result of loss and fragmentation of its habitat. In order to further understand the habitat requirements of this species it is important to observe the specific characteristics of the oviposition sites. There is little research on L. helle in Sweden and the least in the northern parts. In this study I searched for eggs and larvae along a seashore meadow in Norrbotten County where a substantial number of L. helle recently had been found. The area differed from the species’ usual habitat in that the host plant Bistorta vivipara was scarce in large parts. The coastline was split into two areas for comparison according to vegetation type and direction of the shore, one seemingly more suitable for L. helle and the other less so. The results showed that oviposition sites had a lower coverage of, and average height, of the surrounding vegetation than potential oviposition sites without eggs. The coverage of the host plant did not differ between oviposition sites and sites without eggs. Most of the eggs were found on the first area where, surprisingly, a few Bistorta vivipara had up to eight eggs on a single leaf. The sometimes complete lack of eggs on the second area, while still containing a reasonable amount of Bistorta vivipara, confirms that the presence of the host plant is not enough for the females to lay eggs and that any host plant will not be chosen as an oviposition site. The amount of eggs found in the first area together with its structure and east-facing shore further confirms that this species is dependent on lower and more sparse vegetation together with high solar radiation.

Fouling in general and biofouling in specific is a problem concerning many industries. Biofouling occur in environments favorable for biological growth. As an example, industries using cooling water have problems with biofouling. The problem is apparent on heat exchangers as biofilm reduces the heat transfer and thus the performance. There are several different methods to reduce fouling on tube and shell heat exchanger on the market. However, for plate heat exchanger the alternatives are fewer. Generally, cleaning is performed by opening the heat exchanger and cleaning the plates one by one. This thesis aimed to present some of the biofouling reducing methods available on the market, and principally methods that could be applied on plate heat exchangers. Two of the methods were selected to be evaluated in experimentally; Advanced Oxidizing Technology (AOT) and ultrasound. The performances were evaluated by semi quantifying the amount of produced biofilm on plates of stainless steel, polystyrene and titanium. The plates were either reference plates, i.e. under no influence of some reducing method, or they were submerged in the tank when ultrasound or AOT were under operation. The test with ultrasound was performed once, whereas the test with AOT was performed twice. Ultrasound showed the best result; by reducing the amounts of produced biofilm from 68-100 % on all the plates, independent of the material used. AOT showed ambiguous results. From the first test it seemed to affect the production of biofilm, whereas in the second test it did not proof to have the same affect. / Påväxt i allmänhet och biologisk påväxt i synnerhet är ett problem som finns i många industrier/områden inom industrin. Biofilmstillväxt förekommer i miljöer gynnsam för biologisk tillväxt. Till exempel har industrier som använder kylvatten problem med biofilmstillväxt. På värmeväxlare visar sig problemet i form av sämre effektivitet genom försämrad värmeledningsförmåga. Det finns flera olika metoder för tillväxt att förhindra eller motverka tillväxt i tubvärmeväxlare. För plattvärmeväxlare är alternativen däremot färre. Generellt rengörs värmeväxlaren genom att denna öppnas och att plattorna rengörs en efter en. Syftet med detta examensarbete var att presentera några av de metoder som finns på marknaden för att minska och ta bort biologisktillväxt, och då främst metoder som går att använda på plattvärmeväxlare. Två av metoderna valdes ut och testades; Advanced Oxidizing Technology (AOT) och ultraljud. Metoderna utvärderades genom en semi- kvantitativ analys av mängd producerad biofilm på plattor gjorda av rostfritt stål, polystyren och titan. Dessa plattor var antingen referensplattor, det vill säga utan inverkan av någon reduceringsmetod, eller så var de nedsänkta i tankar fyllda med vatten där respektive metod hade verkat. Testet med ultraljud utfördes en gång, medan testet med AOT utfördes två gånger. Ultraljud visade sig vara bäst på att reducera biofilmstillväxt; med en reducering på 68 till 100 %. Oberoende av material minskade ultraljud tillväxten på samtliga plattor. AOT visade tvetydiga resultat; från det första testet tycktes det påverka produktionen av biofilm, medan den inte visade lika tydliga resultat i det andra testet.

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