Dans la première partie de ce travail, nous avons réalisé une étude préliminaire qui avait pour objectif d’étendre la série de complexes dinucléaires du fer [Fe2(CO)4(k2-P2N2)(μ-dithiolate)], comprenant des ligands diphosphine de type P2N2, à des complexes possédant un pont azadithiolate en vue d’étudier leur comportement en milieu acide et le rôle des différentes bases présentes dans la seconde sphère de coordination de ces composés. Les nouveaux complexes [Fe2(CO)6(k2-PPh2NR2)(μ-adtBn)] (R = Ph, Bn)) ont été obtenus par réaction entre le précurseur [Fe2(CO)6(μ-adtBn)] et les diphosphines cycliques PPh2NR2 (avec R = Ph, Bn). Ces complexes ont été caractérisés spectroscopiquement et structuralement. Nous avons aussi montré que les modes de coordination de l’anion (tcnsR)-, dans l’ensemble des complexes sont très différents et affectent, par conséquent, les réseaux cristallins d’une manière très importante. Ceci permet de dire que la longueur de la chaine alkyl de l’anion (tcnsR)- ne devrait pas être le seul paramètre structural affectant les températures de transition. Le type de groupement CN (N3, N4, N5 ou N6) intervenant dans la coordination devrait alors jouer un rôle important dans l’empilement des entités moléculaires dans le réseau cristallin et par conséquent, les interactions intermoléculaires qui sont à l’origine des caractéristiques de la transition de spin (température de transition, coopérativité,…), devraient être affectées par le mode de coordination de l’anion. Dans la seconde partie, nous avons réalisé la synthèse de notre dipolarophile à partir de la sérine et la préparation des dipôles (oxydes de nitriles). La condensation de ces derniers avec la dehydroalanine nous a permis l’obtention de nouveaux α-aminoesters isoxazoliniques. Ces nouveaux α-aminoesters isoxazoliniques ont été obtenus d’une façon très accessible, et dans des conditions douces par la réaction de cycloaddition 1,3-dipolaire. Les résultats obtenus confirment l’utilité de cette réaction comme étant une voie très efficace pour former des nouveaux isoxazolines avec des bons rendements. / In the first part of this work, we realised a preliminary study to extend the series of dinuclear iron complexes [ Fe2(CO)4 (k2-P2N2) (μ-dithiolate)], including diphosphine ligands type P2N2, to complexes having an azadithiolate bridge, in order to study their behavior in acid medium and the role of different bases present in the second coordination sphere of these compounds. The new complexes [Fe2 (CO) 6 (k2-PPh2NR2) (μ -adtBn)] (R = Ph, Bn)) were obtained by reaction between the precursor [Fe2(CO)6(μ -adtBn)] and the cyclic diphosphines PPh 2NR2 (with R = Ph, Bn). These complexes have been spectroscopically and structurally characterized. We have also showed that the anion coordination modes (tcnsR)– in all these complexes are very different and affect, consequently, crystal lattices in a very important way. This suggests that the length of the alkyl chain of the anion (tcnsR)- should not be the only structural parameter affecting transition temperatures. The type of CN grouping (N3, N4, N5 or N6) involved in the coordination should then play an important role in the stacking of molecular entities in the crystal lattice as a result the intermolecular interaction, which are the origin of the spin transition characteristics (transition temperature, cooperativeness, ...), should be affected by the coordination mode of the anion.In the second part, we have realized the synthesis of our dipolarophile from serine and the preparation of dipoles (nitrile oxides). Their condensations with dehydroalanine allowed us to newly obtain isoxazolinic α-aminoesters. These novel isoxazolinic α-aminoesters were obtained in an accessible method, and under mild conditions by the 1,3-dipolar cycloaddition reaction. The obtained results prove the usefulness of this reaction as being a very efficient way to form new isoxazolines with good yields.

<p> The existence of significant and consistent fractionation of sulfur isotopes in natural coexisting sulfide mineral pairs is demonstrated. Such fractionations are shown to depend exclusively on the mineralogy of the assemblage and temperature of equilibration, consistent with a process of fractionation during equilibrium exchange of sulfur isotopes between the sulfide phases . The fractionation of sulfur isotopes between galena, sphalerite and pyrite has been determined experimentally over the temperature range 300-725°C . The fractionation for each mineral pair is shown to vary as T^(-2) so that three isotope geothermometer s have been calibrated. Experi mental results are applied to natural sulfide assemblages to determine the temperature of equilibration and extent to which isotopic equilibriurn has b een attained. </p> / Thesis / Doctor of Philosophy (PhD)

Aim The aim for this present study was to investigate the acute metabolic response from intermittent resistance exercise during hypoxia, with the following research questions: (1) Are blood levels of lactate and glucose different between hypoxia and normoxia? (2) Does hypoxia induce higher lactate accumulation and pH reduction in the human skeletal muscle? (3) Is there a relationship between plasma-, blood- and muscle lactate? Method Eight healthy males (30 ± 2 years) performed 6 sets of unilateral leg extension on each leg (75% of 1RM) with randomized normoxic (20,9% inspired 𝑂2) and normobaric hypoxic (12% inspired 𝑂2) conditions. A total of 5 muscle biopsies was extracted from m. Vastus Lateralis (pre-, post exercise, 90-, 180min and 24h post exercise) during both normoxia and hypoxia trials, separated by one week for all participants. Blood samples were repeatedly taken with 20 min intervals. Heart Rate (HR) and saturation (𝑆𝑝𝑂2) were measured by a pulsoximeter during resistance exercise. Results No significant main effect was observed for blood lactate and glucose levels as well as the muscle lactate accumulation and pH between normoxia and hypoxia. However, pH in muscle showed a trend between the conditions post exercise where hypoxia reached lower levels in total (P=0.08). Significant correlations were observed for blood- and plasma lactate, where hypoxia showed a stronger relationship than normoxia (r=0.98 compared to r=0.87). Equal findings for the correlation of muscle- and plasma lactate showed an even greater coefficient value for hypoxia compared to normoxia (r=0.860 compared to r=0.59). Conclusion Summarized data indicated that no significant difference between hypoxia and normoxia was evident. Nonetheless, tendencies illustrate that hypoxia may alter the metabolic response slightly. However, further research is needed to draw a conclusion between the conditions. / Syftet med denna studie är att undersöka kroppens akuta metabola svar från intermittent styrketräning under hypoxi, med följande frågeställningar: (1) Skiljer sig nivåerna av laktat och glukos i blodet mellan hypoxi och normoxi? (2) Skapar hypoxi större laktatansamling och pH reduktion i människoskelettmuskeln? (3) Finns det en relation mellan plasma-, blod- och muskellaktat? Metod Åtta friska män (30 ± 2 år) deltog där deltagarna utförde 6 set unilateral benextension för varje ben (75% 1RM). Intermittent styrketräning randomiserades med hypoxi som utfördes med 12% syrgas och normoxi som bibehöll normal syrgasnivå (20,9% syrgas). Under två testdagar togs 5 muskelbiopsier från m. Vastus Lateralis (före-, efter träning, 90-, 180min och 24h efter träning) på vartannat ben per testdag. Hjärtfrekvensen och 𝑆𝑝𝑂2 mättes via pulsoximeter under träningen. Resultat Ingen signifikant huvudeffekt påvisades mellan hypoxi och normoxi för blodlaktat samt glukos, såväl som laktatackumulationen och pH värdet i muskeln. Muskel pH visade en trend där hypoxi efter styrketräning nådde lägre totalnivå än normoxi (P=0,08). Vidare observerades hypoxi att ha starka relationer mellan blod- och plasmalaktat jämfört med normoxi (r=0,98 vs. r=0,87). Större skillnad framgick för korrelationen mellan muskel- och plasmalaktat där hypoxi-försöket utgav starkare koefficient jämfört med normoxi (r=0,86 vs. r=0,59). Konklusion Sammanfattad data visar att hypoxi inte skapar större metabolisk respons vid intermittent styrketräning. Trots detta framkom tendenser som illustrerar att hypoxi kan påverka den metabola stressen under styrketräning. Däremot krävs vidare forskning för att kunna säkerställa effekten av hypoxi på kroppens metabola svar. / Ingår i Marcus Mobergs projekt: ”Resistance exercise under hypoxia and the acute molecular effects in human skeletal muscle

Previous studies that utilized sodium lactate infusion did not use resistance exercise protocol or analyzed muscle biopsies, or performed sex specific analysis. Aim: We initiated a project where resistance exercise was performed with low and high levels of lactate, acquired by venous lactate infusion where the specific aim of this study was to investigate and chart the physiological characteristics of sodium lactate infusion during a bout of resistance exercise on whole group level and sexes separated Method: A randomized, placebo controlled, cross-over design was implemented where male (n = 8) and female (n = 8) subjects accustomed to resistance exercise visited the laboratory three times for preliminary testing and training familiarization. In the following two experimental trials subjects arrived in an overnight fasted state. A resting state muscle biopsy was extracted from m. vastus lateralis and repeated blood samples were initiated which followed by 20 minute of baseline infusion of either infusate in resting state at 0.05 mmol/kg/min infusion rate with additional bolus doses during subsequent exercise. Following a brief warm up, unilateral knee-extensions (6 x 8-10 reps at 75% of 1-RM) were performered with or without venous infusion of sodium lactate, with volume matched saline as control. Exercise load and volume were matched between trials. Four additional biopsies were extracted at post-exercise, recovery period, and 24-hour post-exercise. Results: Sodium lactate infusion vs saline infusion respectively during resistance exercise yielded significantly higher blood lactate with sodium lactate (6.78 ± 0.33 mmol/l vs 2.99 ± 0.17 mmol/l), plasma lactate (8.86 ± 0.39 mmol/l vs 4.39 ± 0.22 mmol/l), blood sodium (143 ± 0.4 mmol/l vs 142 ± 0.3 mmol/l), blood pH (7.42 ± 0.01 vs 7.34 ± 0.01), but lower blood potassium (3.9 ± 0.1 mmol/l vs 4.2 ±  0.1 mmol/l), all  immediately following exercise. Sodium lactate infusion elicited main effect of trials and muscle lactate increased from baseline (8.5 ± 0.9 mmol·kg-1 dw vs 7.0 ± 0.6 mmol·kg-1 dw) to post-exercise (31.5 ± 2.8 mmol·kg-1 dw vs 26.9 ± 3.2 mmol·kg-1 dw) with sodium lactate and saline infusion respectively. Blood glucose, hemoglobin and muscle pH was not affected by sodium lactate infusion. Conclusions: Utilization of the sodium lactate infusion method during a bout of resistance exercise may be used as tool to effectively increase blood/plasma lactate and, to lesser extent, muscle content of lactate. However, a concomitant slightly alkalizing effect of blood likely will occur. / Tidigare studier som använt natriumlaktat infusion använde inte styrketräningsprotokoll, eller analyserade muskelbiopsier eller utförde könsspecifika analyser. Syfte och frågeställningar: Vi initierade ett projekt där styrketräning utfördes med låga eller höga nivåer av laktat som erhölls genom venös natriumlaktat infusion med det specifika syftet att undersöka och kartlägga fysiologisk karakteristiska av naturiumlaktat infusion under styrketräningsövning på helgrupps- och könsseparerad nivå. Följande frågeställningar inrättades; hur påverkar natriumlaktat infusion under styrketräning helblod- och plasma laktat, glukos, natrium, kalium, plasma volym genom hemoglobin och hematokrit, blod pH, muskellaktat- och muskel pH samt om skillnader i respons finns efter att könsspecifika analyser utförts på dessa variabler. Metod: En randomiserad, placebokontrollerad cross-over design implementerades där styrketräningsvana män (n = 8) och kvinnor (n = 8) besökte laboratoriet tre gånger för preliminäraför tester och träningsfamiliarisering. I efterföljande två experimentella försök anlände försökspersonerna i ett över nattligt fastande tillstånd. En baslinje biopsi extraherades från m. vastus lateralis och repeterade blodprover initierades med efterföljande 20 minuter av baslinje infusion av endera infusat i vilotillstånd med 0.05 mmol/kg/min infusionshastighet med ytterligare bolusdoser under efterföljande träning. Efter en kort uppvärmning utfördes unilaterala knäextensioner (6 x 8-10 reps vid 75% av 1-RM) med eller utan venös infusion av natrium laktat, med volymmatchande saltlösning som kontroll. Träningsbelastning och volym matchades mellan försök. Ytterligare fyra biopsier extraherades vid efter-träning, återhämtningsperiod, och efter 24 timmar. Resultat: Natriumlaktat respektive saltlösnings infusion under styrketräning gav signifikant högre blodlaktat med natriumlaktat infusion (6.78 ± 0.33 mmol/l mot 2.99 ± 0.17 mmol/l), plasmalaktat (8.86 ± 0.39 mmol/l mot 4.39 ± 0.22 mmol/l), blodnatrium (143 ± 0.4 mmol/l mot 142 ± 0.3 mmol/l), blod pH (7.42 ± 0.01 mot 7.34 ± 0.01), men lägre blod kalium (3.9 ± 0.1 mmol/l mot 4.2 ± 0.1 mmol/l), alla direkt efter träning. Natriumlaktat infusion framkallade huvudeffekt av försök och muskellaktat ökade från baslinje (8.5 ± 0.9 mmol·kg-1 dw mot 7.0 ± 0.6 mmol·kg-1 dw) till efter-träning (31.5 ± 2.8 mmol·kg-1 dw mot 26.9 ± 3.2 mmol·kg-1 dw) med natriumlaktat respektive saltlösnings infusion. Blodglukos, hemoglobin och muskel pH påverkades inte av natriumlaktat infusion. Slutsats: Användande av natriumlaktat infusion som metod under styrketräning kan effektivt användas som verktyg för att höja blod/plasma laktat, och i mindre utsträckning, muskellaktat. Emellertid är samtidig alkalisering av blod en sannolik följd. / Potential sex differences in the molecular response to resistance exercise with lactate infusion

A maneira mais direta de detectar as anomalias da densidade é pelo estudo do potencial gravitacional e de suas derivadas. A disponibilidade global e a boa resolução dos dados do satélite GOCE, aliadas à disponibilidade de dados de gravimetria terrestre, são ideais para a comparação e classificação das bacias de larga escala, como as bacias sedimentares do Solimões e do Amazonas dentro do Craton amazônico. Foram processados um conjunto de dados, produtos GOCE EGG_TRF_2 Level 2, ao longo das trajetórias do satélite para remover o ruído (shift/drift) nos gradientes da gravidade a partir da técnica crossover (XO). Calculamos a redução das massas topográfica a fim de obter os componentes do gradiente da gravidade e anomalia da gravidade usando modelagem direta com prismas esféricos a partir do modelo de elevação digital, ETOPO1. Desta maneira, a comparação dos dados somente do satélite GOCE com as reduções das massas topográficas referentes aos componentes do gradiente da gravidade permitiram estimar quantidades invariantes que trouxeram uma melhoria na interpretação dos dados do tensor de gravidade. Além disso, comparamos dados terrestres do campo de gravidade com dados do campo de gravidade dos modelos geopotenciais EGM2008 e GOCE, uma vez que os dados terrestres podem ser afetados por erros em longos comprimentos de onda devido a erros de nivelamento, diferentes referenciais de altitudes, e aos problemas em interligar diferentes campanhas de medidas da gravidade. Portanto, estimamos uma melhora e uma nova representação dos mapas das anomalias de gravidade e do tensor gradiente da gravidade nas áreas inacessíveis do Craton Amazônico. As observações forneceram novas entradas para determinar campos regionais a partir dados brutos pre-processados (gradiente de gravidade EGG_TRF_2 L2), bem como a partir de um modelo geopotencial mais recente até grau e ordem 250 dos harmonicos esféricos derivados de dados somente do satélite GOCE para a representação do campo de gravidade como geóide, anomalias da gravidade e os componentes tensor da gravidade, os quais foram quantidades importantes para interpretação, modelagem e estudo dessas estruturas. Finalmente, obtivemos um modelo isostático considerando a estrutura de densidade litosférica estudada através de uma modelagem direta 3D da distribuição de densidade por prismas esféricos usando a geometria do embasamento e descontinuidade do Moho. Além do que, constatamos através da modelagem direta das soleiras de diabásios dentro dos sedimentos mostramos que somente as soleiras dentro da Bacia do Amazonas não são as únicas responsáveis pela anomalia de gravidade positiva que coincide aproximadamente com as espessuras máximas dos sedimentos da Bacia. Talvez, isso possa ser também um resultado de movimentos relativos do Escudo das Guianas situado ao norte da Bacia, e o Escudo Brasileiro situado ao sul. Embora isso seja apenas uma evidência adicional preliminar, não podemos confirmá-las a partir das estimativas do campo da gravidade. Portanto, é necessário outros tipos de dados geofísicos, como por exemplo, evidências mais claras advindas do paleomagnetismo. / The most direct way to detect density anomalies is the study of the gravity potential field and its derivatives. The global availability and good resolution of the GOCE mission coupled with the availability of terrestrial gravity data are ideal for the scope of intercomparison and classification of the two large-scale Amazon and Solimoes sedimentary basins into area of the Amazon Craton. The GOCE data set obtained in satellite tracks were processed from EGG_TRF_2 Level 2 Products generated with the correction needed to remove the noise (shift/drift), and so, to recover the individual components of the gravity gradient tensor using the crossover (XO) points technique. We calculated the topographic masses reductions in order to obtain the gravity gradient components and gravity anomaly (vertical component) using forward modelling from tesseroids from Digital Elevation Model, ETOPO1. Thus, the comparison of the only-satellite GOCE data with the reductions of the topographic masses for the gradient components allowed to estimate invariants quantities for bring an improvement in the interpretation of the gravity tensor data. Furthermore, we compared the terrestrial data gravity field with EGM2008 and GOCE-deduced gravity field because the terrestrial fields may be affected by errors at long wavelengths due to errors in leveling, different height references, and problems in connecting different measurement campaigns. However, we have estimated an improvement and new representations of the gravity anomalies maps and gravity gradient tensor components primary in inaccessible areas of the Amazon Craton. GOCE observations provide new inputs to determine the regional fields from the preprocessed raw data (EGG_TRF_2 L2 gravity gradients), as well from the most recent global geopotential model available up to degree and order 250 developed in spherical harmonics derived only-satellite GOCE data for representing of geoid and others gravity field as gravity anomaly and gravity gradient tensor components, which are important quantities for modelling and studying these structures. Finally, we obtained the isostatic model considering the lithospheric density structure studied through a 3D direct modelling of density distribution using the geometry of basement and Moho discontinuity, assumed to be known as initial constraint. In addition, we found through direct modeling sills and sediment has shown that the diabase sills are not the only ones responsible for positive gravity anomaly map that transects the Amazon Basin, roughly coincident with the maximum thickness of sedimentary rocks or the trough of the basin. Maybe, this could be the result of the relative movements of the Guiana Shield, situated at the north of the Amazon basin, and the Brazilian Shield, situated at the south. Although this is only a preliminary additional evidence, we cannot confirm it only from the data of gravity. It is necessary others types of geophysical data, for example, more clear evidences obtained from paleomagnetism.

In the building automation domain, there are gaps among various tasks related to design engineering. As a result created system designs must be adapted to the given requirements on system functionality, which is related to increased costs and engineering effort than planned. For this reason standards are prepared to enable a coordination among these tasks by providing guidelines and unified artifacts for the design. Moreover, a huge variety of prefabricated devices offered from different manufacturers on the market for building automation that realize building automation functions by preprogrammed software components. Current methods for design creation do not consider this variety and design solution is limited to product lines of a few manufacturers and expertise of system integrators. Correspondingly, this results in design solutions of a limited quality. Thus, a great optimization potential of the quality of design solutions and coordination of tasks related to design engineering arises. For given design requirements, the existence of a high number of devices that realize required functions leads to a combinatorial explosion of design alternatives at different price and quality levels. Finding optimal design alternatives is a hard problem to which a new solution method is proposed based on heuristical approaches. By integrating problem specific knowledge into algorithms based on heuristics, a promisingly high optimization performance is achieved. Further, optimization algorithms are conceived to consider a set of flexibly defined quality criteria specified by users and achieve system design solutions of high quality. In order to realize this idea, optimization algorithms are proposed in this thesis based on goal-oriented operations that achieve a balanced convergence and exploration behavior for a search in the design space applied in different strategies. Further, a component model is proposed that enables a seamless integration of design engineering tasks according to the related standards and application of optimization algorithms.

A maneira mais direta de detectar as anomalias da densidade é pelo estudo do potencial gravitacional e de suas derivadas. A disponibilidade global e a boa resolução dos dados do satélite GOCE, aliadas à disponibilidade de dados de gravimetria terrestre, são ideais para a comparação e classificação das bacias de larga escala, como as bacias sedimentares do Solimões e do Amazonas dentro do Craton amazônico. Foram processados um conjunto de dados, produtos GOCE EGG_TRF_2 Level 2, ao longo das trajetórias do satélite para remover o ruído (shift/drift) nos gradientes da gravidade a partir da técnica crossover (XO). Calculamos a redução das massas topográfica a fim de obter os componentes do gradiente da gravidade e anomalia da gravidade usando modelagem direta com prismas esféricos a partir do modelo de elevação digital, ETOPO1. Desta maneira, a comparação dos dados somente do satélite GOCE com as reduções das massas topográficas referentes aos componentes do gradiente da gravidade permitiram estimar quantidades invariantes que trouxeram uma melhoria na interpretação dos dados do tensor de gravidade. Além disso, comparamos dados terrestres do campo de gravidade com dados do campo de gravidade dos modelos geopotenciais EGM2008 e GOCE, uma vez que os dados terrestres podem ser afetados por erros em longos comprimentos de onda devido a erros de nivelamento, diferentes referenciais de altitudes, e aos problemas em interligar diferentes campanhas de medidas da gravidade. Portanto, estimamos uma melhora e uma nova representação dos mapas das anomalias de gravidade e do tensor gradiente da gravidade nas áreas inacessíveis do Craton Amazônico. As observações forneceram novas entradas para determinar campos regionais a partir dados brutos pre-processados (gradiente de gravidade EGG_TRF_2 L2), bem como a partir de um modelo geopotencial mais recente até grau e ordem 250 dos harmonicos esféricos derivados de dados somente do satélite GOCE para a representação do campo de gravidade como geóide, anomalias da gravidade e os componentes tensor da gravidade, os quais foram quantidades importantes para interpretação, modelagem e estudo dessas estruturas. Finalmente, obtivemos um modelo isostático considerando a estrutura de densidade litosférica estudada através de uma modelagem direta 3D da distribuição de densidade por prismas esféricos usando a geometria do embasamento e descontinuidade do Moho. Além do que, constatamos através da modelagem direta das soleiras de diabásios dentro dos sedimentos mostramos que somente as soleiras dentro da Bacia do Amazonas não são as únicas responsáveis pela anomalia de gravidade positiva que coincide aproximadamente com as espessuras máximas dos sedimentos da Bacia. Talvez, isso possa ser também um resultado de movimentos relativos do Escudo das Guianas situado ao norte da Bacia, e o Escudo Brasileiro situado ao sul. Embora isso seja apenas uma evidência adicional preliminar, não podemos confirmá-las a partir das estimativas do campo da gravidade. Portanto, é necessário outros tipos de dados geofísicos, como por exemplo, evidências mais claras advindas do paleomagnetismo. / The most direct way to detect density anomalies is the study of the gravity potential field and its derivatives. The global availability and good resolution of the GOCE mission coupled with the availability of terrestrial gravity data are ideal for the scope of intercomparison and classification of the two large-scale Amazon and Solimoes sedimentary basins into area of the Amazon Craton. The GOCE data set obtained in satellite tracks were processed from EGG_TRF_2 Level 2 Products generated with the correction needed to remove the noise (shift/drift), and so, to recover the individual components of the gravity gradient tensor using the crossover (XO) points technique. We calculated the topographic masses reductions in order to obtain the gravity gradient components and gravity anomaly (vertical component) using forward modelling from tesseroids from Digital Elevation Model, ETOPO1. Thus, the comparison of the only-satellite GOCE data with the reductions of the topographic masses for the gradient components allowed to estimate invariants quantities for bring an improvement in the interpretation of the gravity tensor data. Furthermore, we compared the terrestrial data gravity field with EGM2008 and GOCE-deduced gravity field because the terrestrial fields may be affected by errors at long wavelengths due to errors in leveling, different height references, and problems in connecting different measurement campaigns. However, we have estimated an improvement and new representations of the gravity anomalies maps and gravity gradient tensor components primary in inaccessible areas of the Amazon Craton. GOCE observations provide new inputs to determine the regional fields from the preprocessed raw data (EGG_TRF_2 L2 gravity gradients), as well from the most recent global geopotential model available up to degree and order 250 developed in spherical harmonics derived only-satellite GOCE data for representing of geoid and others gravity field as gravity anomaly and gravity gradient tensor components, which are important quantities for modelling and studying these structures. Finally, we obtained the isostatic model considering the lithospheric density structure studied through a 3D direct modelling of density distribution using the geometry of basement and Moho discontinuity, assumed to be known as initial constraint. In addition, we found through direct modeling sills and sediment has shown that the diabase sills are not the only ones responsible for positive gravity anomaly map that transects the Amazon Basin, roughly coincident with the maximum thickness of sedimentary rocks or the trough of the basin. Maybe, this could be the result of the relative movements of the Guiana Shield, situated at the north of the Amazon basin, and the Brazilian Shield, situated at the south. Although this is only a preliminary additional evidence, we cannot confirm it only from the data of gravity. It is necessary others types of geophysical data, for example, more clear evidences obtained from paleomagnetism.

In the building automation domain, there are gaps among various tasks related to design engineering. As a result created system designs must be adapted to the given requirements on system functionality, which is related to increased costs and engineering effort than planned. For this reason standards are prepared to enable a coordination among these tasks by providing guidelines and unified artifacts for the design. Moreover, a huge variety of prefabricated devices offered from different manufacturers on the market for building automation that realize building automation functions by preprogrammed software components. Current methods for design creation do not consider this variety and design solution is limited to product lines of a few manufacturers and expertise of system integrators. Correspondingly, this results in design solutions of a limited quality. Thus, a great optimization potential of the quality of design solutions and coordination of tasks related to design engineering arises. For given design requirements, the existence of a high number of devices that realize required functions leads to a combinatorial explosion of design alternatives at different price and quality levels. Finding optimal design alternatives is a hard problem to which a new solution method is proposed based on heuristical approaches. By integrating problem specific knowledge into algorithms based on heuristics, a promisingly high optimization performance is achieved. Further, optimization algorithms are conceived to consider a set of flexibly defined quality criteria specified by users and achieve system design solutions of high quality. In order to realize this idea, optimization algorithms are proposed in this thesis based on goal-oriented operations that achieve a balanced convergence and exploration behavior for a search in the design space applied in different strategies. Further, a component model is proposed that enables a seamless integration of design engineering tasks according to the related standards and application of optimization algorithms.:1 Introduction 17 1.1 Background . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19 1.2 Motivation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 1.3 Goals and Use of the Thesis . . . . . . . . . . . . . . . . . . . . . 21 1.4 Solution Concepts . . . . . . . . . . . . . . . . . . . . . . . . . . 22 1.5 Organization of the Thesis . . . . . . . . . . . . . . . . . . . . . . 24 2 Design Creation for Building Automation Systems 25 2.1 Background . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25 2.2 Engineering of Building Automation Systems . . . . . . . . . . . 29 2.3 Network Protocols of Building Automation Systems . . . . . . . 33 2.4 Existing Solutions for Design Creation . . . . . . . . . . . . . . . 34 2.5 The Device Interoperability Problem . . . . . . . . . . . . . . . . 37 2.6 Guidelines for Planning of Room Automation Systems . . . . . . 38 2.7 Quality Requirements on BAS . . . . . . . . . . . . . . . . . . . 41 2.8 Quality Requirements on Design . . . . . . . . . . . . . . . . . . 42 2.8.1 Quality Requirements Related to Project Planning . . . . 42 2.8.2 Quality Requirements Related to Project Implementation 43 2.9 Quality Requirements on Methods . . . . . . . . . . . . . . . . . 44 2.10 Conclusions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45 3 The Design Creation Task 47 3.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 47 3.2 System Design Composition Model . . . . . . . . . . . . . . . . . 49 3.2.1 Abstract and Detailed Design Model . . . . . . . . . . . . 49 3.2.2 Mapping Model . . . . . . . . . . . . . . . . . . . . . . . . 51 3.3 Formulation of the Problem . . . . . . . . . . . . . . . . . . . . . 53 3.3.1 Problem properties . . . . . . . . . . . . . . . . . . . . . . 54 3.3.2 Requirements on Algorithms . . . . . . . . . . . . . . . . 56 3.4 Conclusions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 57 4 Solution Methods for Design Generation and Optimization 59 4.1 Combinatorial Optimization . . . . . . . . . . . . . . . . . . . . . 59 4.2 Metaheuristics . . . . . . . . . . . . . . . . . . . . . . . . . . . . 59 4.3 Examples for Metaheuristics . . . . . . . . . . . . . . . . . . . . . 62 4.3.1 Simulated Annealing . . . . . . . . . . . . . . . . . . . . . 62 4.3.2 Tabu Search . . . . . . . . . . . . . . . . . . . . . . . . . 63 4.3.3 Ant Colony Optimization . . . . . . . . . . . . . . . . . . 65 4.3.4 Evolutionary Computation . . . . . . . . . . . . . . . . . 66 4.4 Choice of the Solver Algorithm . . . . . . . . . . . . . . . . . . . 69 4.5 Specialized Methods for Diversity Preservation . . . . . . . . . . 70 4.6 Approaches for Real World Problems . . . . . . . . . . . . . . . . 71 4.6.1 Component-Based Mapping Problems . . . . . . . . . . . 71 4.6.2 Network Design Problems . . . . . . . . . . . . . . . . . . 73 4.6.3 Comparison of Solution Methods . . . . . . . . . . . . . . 74 4.7 Conclusions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77 5 Automated Creation of Optimized Designs 79 5.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 79 5.2 Design Evaluation . . . . . . . . . . . . . . . . . . . . . . . . . . 79 5.3 Component Model . . . . . . . . . . . . . . . . . . . . . . . . . . 81 5.3.1 Presumptions . . . . . . . . . . . . . . . . . . . . . . . . . 85 5.3.2 Integration of Component Model . . . . . . . . . . . . . . 87 5.4 Design Generation . . . . . . . . . . . . . . . . . . . . . . . . . . 87 5.4.1 Component Search . . . . . . . . . . . . . . . . . . . . . . 88 5.4.2 Generation Approaches . . . . . . . . . . . . . . . . . . . 100 5.5 Design Improvement . . . . . . . . . . . . . . . . . . . . . . . . . 107 5.5.1 Problems and Requirements . . . . . . . . . . . . . . . . . 107 5.5.2 Variations . . . . . . . . . . . . . . . . . . . . . . . . . . . 111 5.5.3 Application Strategies . . . . . . . . . . . . . . . . . . . . 121 5.6 Realization of the Approach . . . . . . . . . . . . . . . . . . . . . 122 5.6.1 Objective Functions . . . . . . . . . . . . . . . . . . . . . 122 5.6.2 Individual Representation . . . . . . . . . . . . . . . . . . 123 5.7 Automated Design Creation For A Building . . . . . . . . . . . . 124 5.7.1 Room Spanning Control . . . . . . . . . . . . . . . . . . . 124 5.7.2 Flexible Rooms . . . . . . . . . . . . . . . . . . . . . . . . 125 5.7.3 Technology Spanning Designs . . . . . . . . . . . . . . . . 129 5.7.4 Preferences for Mapping of Function Blocks to Devices . . 132 5.8 Further Uses and Applicability of the Approach . . . . . . . . . . 133 5.9 Conclusions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134 6 Validation and Performance Analysis 137 6.1 Validation Method . . . . . . . . . . . . . . . . . . . . . . . . . . 137 6.2 Performance Metrics . . . . . . . . . . . . . . . . . . . . . . . . . 137 6.3 Example Abstract Designs and Performance Tests . . . . . . . . 139 6.3.1 Criteria for Choosing Example Abstract Designs . . . . . 139 6.3.2 Example Abstract Designs . . . . . . . . . . . . . . . . . . 140 6.3.3 Performance Tests . . . . . . . . . . . . . . . . . . . . . . 142 6.3.4 Population Size P - Analysis . . . . . . . . . . . . . . . . 151 6.3.5 Cross-Over Probability pC - Analysis . . . . . . . . . . . 157 6.3.6 Mutation Probability pM - Analysis . . . . . . . . . . . . 162 6.3.7 Discussion for Optimization Results and Example Designs 168 6.3.8 Resource Consumption . . . . . . . . . . . . . . . . . . . . 171 6.3.9 Parallelism . . . . . . . . . . . . . . . . . . . . . . . . . . 172 6.4 Optimization Framework . . . . . . . . . . . . . . . . . . . . . . . 172 6.5 Framework Design . . . . . . . . . . . . . . . . . . . . . . . . . . 174 6.5.1 Components and Interfaces . . . . . . . . . . . . . . . . . 174 6.5.2 Workflow Model . . . . . . . . . . . . . . . . . . . . . . . 177 6.5.3 Optimization Control By Graphical User Interface . . . . 180 6.6 Conclusions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 183 7 Conclusions 185 A Appendix of Designs 189 Bibliography 201 Index 211