La tesis tracta diferents aspectes relacionats amb el càlcul de la semblança quàntica, així com la seva aplicació en la racionalització i predicció de l'activitat de fàrmacs. Es poden destacar dos progressos importants en el desenvolupament de noves metodologies que faciliten el càlcul de les mesures de semblança quàntica. En primer lloc, la descripció de les molècules mitjançant les funciones densitat aproximades PASA (Promolecular Atomic Shell Approximation) ha permès descriure amb suficient precisió la densitat electrònica dels sistemes moleculars analitzats, reduint substancialment el temps de càlcul de les mesures de semblança. En segon lloc, el desenvolupament de tècniques de superposició molecular específiques de les mesures de semblança quàntica ha permès resoldre el problema de l'alineament en l'espai dels compostos comparats. El perfeccionament d'aquests nous procediments i algoritmes matemàtics associats a les mesures de semblança molecular quàntica, ha estat essencial per poder progressar en diferents disciplines de la química computacional, sobretot les relacionades amb les anàlisis quantitatives entre les estructures moleculars i les seves activitats biològiques, conegudes amb les sigles angleses QSAR (Quantitative Structure-Activity Relationships). Precisament en l'àrea de les relacions estructura-activitat s'han presentat dues aproximacions fonamentades en la semblança molecular quàntica que s'originen a partir de dues representacions diferents de les molècules. La primera descripció considera la densitat electrònica global de les molècules i és important, entre altres, la disposició dels objectes comparats en l'espai i la seva conformació tridimensional. El resultat és una matriu de semblança amb les mesures de semblança de tots els parells de compostos que formen el conjunt estudiat. La segona descripció es fonamenta en la partició de la densitat global de les molècules en fragments. S'utilitzen mesures d'autosemblança per analitzar els requeriments bàsics d'una determinada activitat des del punt de vista de la semblança quàntica. El procés permet la detecció de les regions moleculars que són responsables d'una alta resposta biològica. Això permet obtenir un patró amb les regions actives que és d'evident interès per als propòsits del disseny de fàrmacs. En definitiva, s'ha comprovat que mitjançant la simulació i manipulació informàtica de les molècules en tres dimensions es pot obtenir una informació essencial en l'estudi de la interacció entre els fàrmacs i els seus receptors macromoleculars. / There is probably no other concept that contributed to the development of chemistry so remarkably as the ill-defined, qualitative concept of similarity. From the intuitively understood meaning of similarity arises also one of the most powerful chemical principles - the principle of analogy - which in early days of chemistry served as the basis for the classification and systematization of molecules and reactions. The same principle underlies also the widely used idea that similar structures have similar properties which, in turn, is the basis for the existence of various empirical relations between the structure and activity known as QSAR relationships. Because of the fundamental role which similarity plays in so many different situations it is not surprising that its systematic investigation has become the focus of intense scientific interest. Main attention in this respect was devoted to the design of new quantitative measures of molecular similarity. The philosophy underlying the development of quantitative, similarity measures based on quantum theory, arises from the idea that properties of molecules, whether chemical, physical or biological are predetermined by the molecular structure. The rationalization of empirical structure-activity relationships is to considerable extent connected with the recent efforts in the design of new molecular descriptors based on quantum theory. The simplest of such quantities is the electron density function and most of the theoretical molecular descriptors are derived just from this quantity. Among them, a privileged place belongs to the so-called Molecular Quantum Similarity Measures (MQSM). These measures are generally based on the pairwise comparison of electron density functions of the corresponding molecules.This contribution pretends to present an up-to-date revision of Quantum Similarity concepts and their application to QSAR. The general form of MQSM is introduced, and the concrete definitions for practical implementations are specified. Two important topics related to the application of MQSM are discussed: first the Promolecular Atomic Shell Approximation (PASA), a method for fitting first-order molecular density functions for a fast and efficient calculation of the MQSM. Afterwards, a possible solution to the problem of molecular alignment, a determinant procedure in all 3D QSAR methodologies. Finally, the application of Quantum Similarity to QSAR is discussed in detail. Two kind of descriptors derived from molecular quantum similarity theory were used to construct QSAR models: molecular quantum similarity matrices and fragment quantum self-similarity measures. The practical implementation of those ideas has led to the publication of several papers, and finally, to the present work.

O presente trabalho foi desenvolvido na área experimental da ESALQ-USP, localizada no município de Piracicaba/SP, em um Latossolo Vermelho Amarelo, textura areno-argiloso. O experimento teve como objetivo estudar a dinâmica do N no sistema solo-planta da cultura do milho, sob implantação do sistema plantio direto, e, pela técnica do 15N, avaliar a lixiviação de nitrato à profundidade de 0,80 m, a eficiência de utilização do N e o efeito residual do fertilizante nas culturas subseqüentes. O projeto envolveu dois cultivos de milho e um de aveia preta, cultivada na entressafra. O delineamento experimental foi o de blocos casualizados (3x2), com 4 repetições. Os tratamentos consistiram de doses de nitrogênio, na forma de sulfato de amônio (60, 120 e 180 kg ha-1 de N) e uma testemunha, além dos parcelamentos (30 kg ha-1 de N na semeadura e o restante em cobertura; 60 kg ha-1 de N na semeadura e o restante em cobertura). A aplicação de sulfato de amônio enriquecido com 15N foi feita, na dose de 120 kg ha-1 de N, em subparcelas, previamente definidas, apenas no primeiro cultivo do milho. Foram feitas as seguintes avaliações: densidade de fluxo de água e de nitrato na profundidade de 0,80 m do solo (dose de 120 kg ha-1 de N); massa de 100 grãos; massa de matéria seca; teor de N; rendimento de grãos de milho; átomos % 15N nas plantas e solo; fração do N fertilizante na solução do solo na profundidade de 0,80 m, e no perfil do solo; balanço do N na sucessão de culturas; efeito residual do N fertilizante (aplicado no primeiro cultivo de milho) na aveia e no segundo cultivo de milho. Pelos resultados obtidos, concluiu-se que: a) a perda de nitrato total por lixiviação, a 0,80 m de profundidade, no 1º cultivo de milho, na dose de 120 kg ha-1 de N, foi de aproximadamente 96 e 68 kg ha-1, para os parcelamentos com 60 kg ha-1 e 30 kg ha-1 de N na semeadura, respectivamente, dos quais apenas 3 e 1 kg ha-1 foram provenientes do fertilizante nitrogenado; b) na dose 120 kg ha-1 de N, o tratamento com maior quantidade de N aplicado na semeadura (60 kg ha-1), no cultivo de milho do ano agrícola 2003/2004, proporcionou um maior aproveitamento do N do fertilizante (65%), em relação ao tratamento com a dose de 30 kg ha-1 na semeadura (45%) e que, para esse ano, a recuperação do N fertilizante pelo solo, na camada 0-0,80 m, para ambos os tratamentos, 60-60 e 30-90 kg ha-1, foi de 40 e 49%, respectivamente; c) Ainda referindo-se aos tratamentos 60-60 e 30-90 kg ha-1, do N remanescente do sulfato de amônio (120 kg ha-1), aplicado no primeiro ano agrícola (efeito residual), 3,72 e 1,79% foram utilizados pela aveia preta e 2,84 e 2,06% pelo milho cultivado no ano subseqüente (2004/2005), permanecendo no solo (camada 0-0,80 m), 30,19 e 33,47% após o cultivo de aveia preta e 16,79 e 17,91% após o segundo cultivo de milho, respectivamente, para os referidos tratamentos. / The general objective of this work was to study the dynamics of nitrogen in the soil-plant system of two maize crops with a black oats one in between, introducing the no-tillage system. Besides, fertilizing the first maize crop with 15N enriched nitrogen fertilizer, it was also objective of this work to assess the total and the derived from fertilizer nitrate leached at the depth of 0.8 m, the nitrogen use efficiency by the crops and the residual effect of the labeled nitrogen fertilizer. The experiment was carried in the experimental areas of ESALQ-USP in the country of Piracicaba (SP), in a yellow red latossol, sandy-loamy texture. The first maize crop was in 2003/2004 and the second one in 2004/2005. The experimental design was randomized blocks (3 x 2), with four replications. Treatments consisted of nitrogen (as ammonium sulphate) levels (60, 120 and 180 kg ha-1 of nitrogen) and the control, besides the splittings (30 and 60 kg ha-1 of nitrogen in the sowing and the rest in covering). The fertilization with 15N enriched ammonium sulphate in the first maize crop was made only for the level of 120 kg ha-1 of nitrogen, in subplots previously defined. The following measurements were carried out: soil-water and nitrate flux densities at the depth of 0.8 m (120 kg ha-1 of N); weight of 100 grains; weight of plant dry matter; nitrogen content; grain yield; total nitrogen; plant nitrogen use efficiency; fraction of the applied nitrogen in the soil solution at the depth of 0.8 m and in the soil profile; nitrogen balance in the crops succession; nitrogen residual effect in the black oat and the second maize crop. From the results, it could be concluded that: a) the leaching losses of total N, at the depth of 0,80 m, in the first maize crop, at the fertilization level of 120 kg ha-1 of N, were of 96 and 68 kg ha-1 for the splittings 60 and 30 kg ha-1 of N at sowing, respectively, from which only 3 and 1 kg ha-1 were derived from the nitrogen fertilizer; b) at the N fertilization level of 120 kg ha-1, the treatment with higher amount of applied N at sowing (60 kg ha-1) of the first maize crop (2003/2004) led to a higher plant N fertilizer recovery (65%) than the 30 kg ha-1of applied N at the sowing treatment (45%) and that, at the end of this crop cycle, the N fertilizer recovery by the 0-0,80 m soil layer, for 60-60 and 30-90 kg ha-1 treatments, were 40 and 49%, respectively; c) still for treatments 60-60 and 30-90 kg ha-1, from the total N applied in the first maize crop (120 kg ha-1), 3.72 and 1.79% were used by the black oats and 2.84 and 2.06% by the second maize crop, remaining in the soil (0-0.8 m layer), 30.19 and 33.47% after the black oats crop and 16.79 and 17.91% after the second maize crop, respectively for 60-60 and 30-90 kg ha-1 of N treatments.

Made available in DSpace on 2016-06-02T20:05:58Z (GMT). No. of bitstreams: 1 DissLGGBL.pdf: 694668 bytes, checksum: fbe25c1e4093e12425b0a024c8a95456 (MD5) Previous issue date: 2007-01-11 / Financiadora de Estudos e Projetos / We present a general introduction in the construction of experimental design, spe- cially a general factorial design and factorial design 2k and some Bayesian criteria in the construction of experimental design. In practice, usually the researcher can have a priori knowledge of specialists for estimated quantities from an experiment. The use of Bayesian methods can take on best results with low costs. Many Bayesian criteria in- troduced in literature are presented. One of the main applications in the experimental design construction involve the existance of linear trends with objective of verifying the best sequence of runs, specially the factorial designs with eight runs. In this disertation, we introduce some basic concepts in design of experiments and the use of the Bayesian approach to have more e¢ cient and less cost experiments. The main goal of the work, is to consider a special case of great importance in applied indistrial work: the presence of linear trend. In this case, we present a comparative study in design of experiments under the classical and Bayesian approaches. / Inicialmente apresentamos uma introdução geral sobre planejamentos de experimen- tos, em especial, o planejamento fatorial geral e o planejamento fatorial 2k, e alguns critérios Bayesianos na construção de planejamentos de experimentos. Na prática, usual- mente o pesquisador pode ter conhecimento a priori de especialistas das quantidades a serem estimadas, a partir de um experimento. O uso de métodos Bayesianos pode levar à melhores resultados com menores custos. Vários critérios Bayesianos introduzidos na liter- atura são apresentados. Algumas aplicações são consideradas para ilustrar a metodologia proposta. Uma das principais aplicações na construção de um planejamento de exper- imentos envolve a presença de tendências lineares com o objetivo de verificar a melhor seqüência possível de ensaios, em especial o planejamento fatorial com oito ensaios. Nesta dissertação, pretendemos introduzir alguns conceitos básicos em planejamen- tos de experimentos e o uso do enfoque Bayesiano que leva à experimentos com melhor eficiência e menores custos. Como objetivo principal de trabalho, vamos considerar um caso especial de grande importância nas aplicações industriais: a presença de tendên- cias lineares. Neste caso, vamos apresentar um estudo comparativo em planejamento de experimentos clássicos e planejamento de experimentos Bayesianos.

A formação de camadas de cargas elétricas na superfície de Hélio liquido e em filmes de H´leio sobre um substrato está bem estabelecida tanto teórica quanto experimentalmente. Não existia, porém, até o presente, um cálculo auto-consistente para essas camadas de cargas, pois no regime de baixas densidades eletrônicas, estes sistemas podem ser tratados como o problema de 1-elétron. Em nosso trabalho incluímos os efeitos de muitos corpos usando a aproximação de Hartree-Fock e, via cálculos auto-consistentes, mostramos que estes efeitos tornam-se relevantes para densidades a partir de 108 e/cm2 para elétrons sobre Hélio e 103 e/ cm2 para elétrons sobre filme de Hélio. Calculamos também a mobilidade desses elétrons, em superfície de Hélio, incluindo dois mecanismos diferentes de espalhamento; as interações elétron-ripplons e elétrons-átomos de vapor. Usando nossos cálculos auto-consistentes obtivemos resultados que melhores concordam com dados experimentais para a mobilidade, em regimes de altas densidades eletrônicas / The formation of electric charged layers outside liquid Helium and outside films are well understood experimentally as well as theoretically. But, until today, there was not a self-consistent calculation for these electronic layers because, at low densities, these system can be treated as a one-electron problem. In this work we have included the many-body effects using the Hartree-Fock approximations and, via self-consistent calculations, we pointed out that these effects are relevants for densities above 108 e/cm2 for liquid Helium and 103 e/ cm2 for Helium films. We also have calculated the electronic mobility due to different scattering mechanisms: electron-ripplon and electron-vapour interactions. Using our self-consistents calculations we have obtained results that fit very well the experimental data, at high densities

Conselho Nacional de Pesquisa e Desenvolvimento Científico e Tecnológico - CNPq / Bi12GeO20 (BGO) belongs to the family of sillenite crystals BMO, where M = Ge, Si, Ti. These compounds exhibit remarkable photorefractive e ect and therefore are used in the development of information and image storage technologies, holography, ampli cation of luminous signals and dynamic interferometry. One of the strategies used to enhance the properties of interest of these sillenites is doping. The defects can create photorefractive centers in the matrix, introducing energy levels within the gap, in uencing the electronic and optical properties of the selenites. Experimental work reported a curious behavior when using transition metal ions (TMI) as dopants. Most of the TMIs, including Cr ions, are allocated at the high symmetry site Ge4+, with the exception of Cu2+ which enters into the matrix at the low symmetry site of Bi3+. This is a surprising fact due to the di erence between ionic radii and charge states of the dopants and the substitution ion Ge4+. In this work the LAPW method, based on the DFT theory and implemented in the WIEN2k program, was used to study the electronic, structural and energetic properties of pure BGO and doped BGO with chromium ions. In the study of doped cases, Cr ions were inserted at the substitutional sites of Ge4+ and Bi3+ The calculations were performed for neutral and charged systems. The approximations for correlation and exchange e ects were made through GGA-PBE and mBJ potentials. Were performed calculations of lattice parameter optimization, relaxation of atomic positions, state density, Bader charge and formation energies of defects. It was possible to nd the lattice parameter, and the band gap energy os the BGO pure, to analyse the way how the neighbourhood of the substitutional site behaves with the presence of the defect and nd the states that populate the valence and conduction bands of the studies cases. These data were taking into account to measure the ions valence. The results of the modeling showed that Cr prefers to accommodate in the BGO matrix with Cr3+/4+ valences. The preferential accommodation site of Cr3+ is Bi3+, which didn't meet with what has been reported experimentally in the literature. / O Bi12GeO20 (BGO) pertence a fam lia de cristais silenitas do tipo BMO, onde M = Ge, Si, Ti. Tais compostos apresentam um not avel efeito fotorrefrativo e por isso s~ao utilizados no desenvolvimento de tecnologias de armazenamento de informa c~oes e imagens, hologra a, amplia c~ao de sinais luminosos e interferometria din^amica. Uma das estrat egias utilizadas para potencializar as propriedades de interesse dessas silenitas e a dopagem. Os defeitos podem criar centros fotorrefrativos na matriz, introduzindo n veis de energias dentro do gap e in uenciar nas propriedades eletr^onicas e opticas das silenitas. Trabalhos experimentais relataram um comportamento curioso ao se utilizar ons de metais de transi c~ao (TMI) como dopantes. A maior parte dos TMIs, incluindo os ons de Cr, s~ao alocados no s tio de alta simetria Ge4+, com exce c~ao do Cu2+ que se insere na matriz no s tio de baixa simetria do Bi3+. Esse e um fato surpreendente devido a diferen ca entre raios i^onicos e estados de carga dos dopantes e do on substitucional Ge4+. Neste trabalho foi utilizado o m etodo LAPW, baseado na teoria DFT e implementado no programa WIEN2k, para estudar as propriedades eletr^onicas, estruturais e energ eticas do BGO puro e dopado com ons de cromo. No estudo de casos dopados, os ons de Cr foram inseridos nos s tios substitucionais Ge4+ e Bi3+. Os c alculos foram executados para sistemas neutros e carregados. As aproxima c~oes para os efeitos de correla c~ao e troca foram feitas atrav es do funcional GGA-PBE e do potencial mBJ. Foram realizados c alculos de otimiza c~ao de par^ametro de rede, relaxa c~ao de posi c~oes at^omicas, densidade de estados, carga de Bader e energias de forma c~ao de defeito. Foi poss vel encontrar o par^ametro de rede, a energia de gap do BGO puro, analisar a forma como a vizinhan ca do s tio substitucional se comporta com a presen ca do defeito e encontrar os estados que populam as bandas de val^encia e condu c~ao dos casos estudados. Esses dados foram levados em conta para aferir a val^encia dos ons. Os resultados das modelagens mostraram que o Cr prefere se acomodar na matriz do BGO com val^encias Cr3+/4+. O s tio de acomoda c~ao preferencial do Cr3+ e o Bi3+, o que vai de encontro ao que foi relatado experimentalmente na literatura. / São Cristóvão, SE

Made available in DSpace on 2014-08-20T13:44:36Z (GMT). No. of bitstreams: 1 dissertacao_alberto_bohn.pdf: 586241 bytes, checksum: 0568eec20a5d22d087fb11ebc9a8fb75 (MD5) Previous issue date: 2014-03-17 / The experiment was conducted at the Experimental Station of Embrapa Clima Temperado/Lowlands and Seed Analysis Laboratory of the Department of Plant Science, UFPel. Different densities in the soil seeds (T1 - 777.70 kg.ha-1; T2 - 736.63 kg.ha-1; T3 - 624.59 kg.ha-1 and T4 - 234.42 kg.ha-1) were tested in annual ryegrass (Lolium multiflorum Lam.) in succession to soybean crop. Forage harvesting has occurred twice and after the second defoliation, were tested different levels of urea (null; 45; 90 and 135 kg.ha-1). The highest densities produced more rapid crop establishment and greater mass of harvested forage, both at first and in the second cut. In this sense, from the application of different doses of urea was found, only significant effect of nitrogen on seed yield, so the addition of a unit of urea increased by 1.7 units seeds. Occurred relationship between levels of SPAD when the assessment was conducted before flowering. Prior to harvest seed regression models between SPAD and urea levels were not significant. The seed physiologic quality was not affected by the levels of in the soil seeds and urea. / O experimento foi conduzido na Estação Experimental da Embrapa Clima Temperado/Terras Baixas e no Laboratório de Análises de Sementes do departamento de Fitotecnia da Universidade Federal de Pelotas - UFPel. Foram avaliadas diferentes densidades de sementes no solo (T1 - 777,70 Kg.ha-1; T2 - 736,63 Kg.ha-1; T3 - 624,59 Kg.ha-1 e T4 - 234,42 Kg.ha-1) de azevém anual (Lolium multiflorum Lam.) em sucessão a cultura da soja. Ocorreu a colheita de forragem em duas ocasiões e, após a segunda desfolha, utilizada diferentes doses de ureia (zero; 45; 90 e 135 kg.ha-1). As maiores densidades proporcionaram mais rápido estabelecimento da cultura e maior massa de forragem colhida, tanto no primeiro, quanto no segundo corte. Neste sentido, a partir da aplicação das diferentes doses de ureia verificou-se, apenas, efeito significativo do nitrogênio sobre o rendimento de sementes, de modo que o acréscimo de uma unidade de ureia aumentou 1,7 unidades de sementes. Através do clorofilômetro foi possível predizer o rendimento de sementes pelos níveis de SPAD, quando comparadas antes do florescimento. Previamente a colheita da semente os modelos de regressão entre SPAD e níveis de nitrogênio não foram significativos. A qualidade fisiológica da semente não influenciada pelos fatores avaliados.

La thèse s’intéresse aux enjeux de maîtrise de la croissance urbaine au travers du modèle de Ville Compacte et de sa caractéristique spatiale clé : la densité. Ce travail de doctorat s’inscrit dans une démarche théorique, méthodologique et empirique. Premièrement, la thèse replace la densité dans les modèles de microéconomie urbaine relatifs aux choix de localisation des agents. Nous identifions ainsi les différents déterminants de la localisation résidentielle (centre d’emploi, aménités, service résidentiel) et analysons l’organisation spatiale – dense ou dispersée – qui en découle. De plus, la thèse ne considère pas uniquement une densité mais des densités urbaines telles des densités de contenu (population, emploi) et de contenant (bâti). Elle met ainsi en évidence divers enjeux méthodologiques associés au traitement et à l’analyse des densités urbaines et propose une mesure plus juste de l’intensité de l’occupation de l’espace, le ratio de densité net. Pour illustrer ces résultats, deux études empiriques portant sur le Grand Dijon sont réalisées. La première consiste en une typologie des quartiers dijonnais qui met en relation les déterminants théoriques de choix de localisation et les types et niveaux de densités urbaines. La seconde étude empirique s’intéresse aux conditions d’acceptabilité des densités urbaines par les individus. Elle consiste en une évaluation hédonique appliquée au prix du logement qui appréhende la valorisation de la densité perçue (bâti) et de la densité en tant que vecteur d’interactions sociales. La thèse apporte des éclairages sur les conditions de réalisation et d’acceptation des politiques d’aménagement actuelles visant la Ville Compacte. / The thesis is focused on urban growth control challenge through the Compact City model and its key spatial characteristic: the density. This work deals both with a theoretical, methodological and empirical approach. First, we place ourselves in the theoretical framework of Urban Economic addressing agents’ location choices. We mobilize these theories to identify the key determinants of residential location (employment center, spatial amenities, housing’s service) and analyze the spatial organization that follows (dense or spread). This literature leads us to consider different types of density: structural density, population density and social density. This thesis highlights various methodological challenges associated with the treatment and analysis of urban densities and proposes a more accurate measure of the intensity of space occupancy, the net density ratio. To illustrate this results, we realize two empirical studies on the agglomeration of Grand Dijon. The first is a typology on Dijon urban area neighborhoods that links density levels to theoretical determinants of residential location. The second empirical study implements the method of hedonic prices applied to housing. Relying on the methods and tools of spatial econometrics, we estimate the valuation of the density on the Grand Dijon and identify the conditions for its acceptance by individuals. This thesis sheds light on the conditions of realization and acceptance of current planning policies aiming at achieving Compact City.

No description available.

No description available.

Weiche inelastische QCD Prozesse dominieren am LHC. Über 20 solcher Kollisionen werden innerhalb einer Strahlkreuzung bei ATLAS stattfinden, sobald der LHC die nominelle Luminosität von L = 1034 cm−2 s−1 und die Schwerpunktsenergie von p s = 14 TeV erreicht. Diese inelastischen Wechselwirkungen sind durch einen geringen Impulsübertrag gekennzeichnet, welche theoretisch lediglich durch phänomenologische Modelle angenähernd beschrieben werden können. Zu Beginn des Strahlbetriebs des LHC’s 2009 war die Luminosität relativ niedrig mit L = 1027 bis 1031 cm−2 s−1, was ein sehr gutes Szenario bot, um einzelne Proton-Proton Kollisionen zu selektieren und deren allgemeine Eigenschaften experimentell zu untersuchen. Zunächst wurde ein Minimum-Bias Trigger entwickelt, um Daten mit ATLAS aufzunehmen. Dieser Trigger, mbSpTrk, verarbeitet Signale der Silizium-Spurdetektoren und verwirft effizient Ereignisse ohne eine Proton-Wechselwirkung, wobei zugleich eine mögliche Verschiebung zu bestimmten Ereignistypen hin minimier wird. Um einen flexiblen Einsatz des Triggers zu gewährleisten, wurde er mit einer Sequenz ausgestattet, welche effizient Machinenuntergrund unterdrückt. Im zweiten Teil der Arbeit wurden geladenen Teilchenmultiplizitäten im zentralen Bereich in zwei kinematisch definierten Phasenräumen gemessen. Mindestens ein geladenes Teilchen mit einer Pseudorapidität kleiner als 0.8 und einem Transversalimpuls von pT > 0.5 bzw. 1 GeV musste vorhanden sein. Vier typische Minimum-Bias Verteilungen wurden bei zwei Schwerpunktsenergien von p s = 0.9 und 7 TeV gemessen. Die Ergebnisse sind derart präsentiert, dass sie nur minimal von Monte Carlo Modellen abhängen. Die vorgestellten Messungen stellen zudem den Beitrag der ATLAS Kollaboration dar für die erste, LHC-weit durchgeführte Analyse, der auch die CMS und ALICE Kollaborationen zustimmten. Ein Vergleich konnte mit den Pseudorapiditätsverteilungen angestellt werden. / Soft inelastic QCD processes are the dominant proton-proton interaction type at the LHC. More than 20 of such collisions pile up within a single bunch-crossing at ATLAS, when the LHC is operated at design luminosity of L = 1034 cm−2 s−1 colliding proton bunches with an energy of p s = 14 TeV. Inelastic interactions are characterised by a small transverse momemtum transfer and can only be approximated by phenomenological models that need experimental data as input. The initial phase of LHC beam operation in 2009, with luminosites ranging from L = 1027 to 1031 cm−2 s−1, offered an ideal period to select single proton-proton interactions and study general aspects of their properties. As first part of this thesis, a Minimum Bias trigger was developed and used for data-taking in ATLAS. This trigger, mbSpTrk, processes signals of the silicon tracking detectors of ATLAS and was designed to fulfill efficiently reject empty events, while possible biases in the selection of proton-proton collisions is reduced to a minimum. The trigger is flexible enough to cope also with changing background conditions allowing to retain low-pT events while machine background is highly suppressed. As second part, measurements of inelastic charged particles were performed in two phase-space regions. Centrally produced charged particles were considered with a pseudorapidity smaller than 0.8 and a transverse momentum of pT > 0.5 or 1 GeV. Four characteristic distributions were measured at two centre-of-mass energies of p s = 0.9 and 7 TeV. The results are presented with minimal model dependency to compare them to predictions of different Monte Carlo models for soft particle production. This analysis represents also the ATLAS contribution for the first common LHC analysis to which the ATLAS, CMS and ALICE collaborations agreed. The pseudorapidity distributions for both energies and phase-space regions are compared to the respective results of ALICE and CMS.