The basic theoretic bases of mamagement costs and revenues. The short characteristic of the company. The analysis of basic and external process of the firm icnluded their discription and consequences. The analysis of the costs and revenues of the company directly linked on the company processes. The basic preparation on completion ISO standards.

The master´s thesis concentrates on a project of condensing steam turbine for existing heating plant with back pressure turbine. The master´s thesis subject consists in the thermodynamic calculation of regulating stage and turbine stages. Design documentation is worked up according to the calculated record. From calculated power of turbine is worked a basic project of gearbox and disposal arrangement system.

Concerns arise in radiation therapy for head and neck cancers when dental prostheses are involved. These prostheses are high-density materials that induce image artifacts in computed tomography (CT) scans used for dose calculation. Two approaches are utilized in mitigating the impact of these artifacts on the accuracy of dose calculation. First, metal artifact reduction (MAR) algorithms or dual-energy CT scans are used to recover image quality. Second, a planning protocol is adopted whereby residual artifacts are manually contoured and assigned appropriate densities. This study evaluated the current planning process using a holistic approach. In this work, an axial section of a head phantom containing dental implants at the level of the oral cavity was constructed and scanned using various protocols on two different commercial scanners; Philips and Siemens, to assess the appearance of artifacts. An MVCT image set was merged with the corresponding kVCT image to improve visualization of the dental implants for use in density overrides. Three ion chamber measurement points in the simulated mouth facilitated the determination of measured dose which was compared to calculated dose at various single beam irradiation geometries. The influence of density override values on agreement between calculation and measurement was investigated for each geometry and imaging modality. Percent error was computed, and initial results compared to results manipulated by use of; a CT density table (Head); density overrides of walls and wax; and density overrides of walls, wax, and effective density of saturation regions. The study established that normal tissue doses are not significantly affected by metal artifact reduction (MAR) algorithms, and improvements in dose calculation compared to uncorrected CT images are small. Furthermore, the inclusion of a MVCT image set improved implant visualization reducing the treatment planning time while providing more information. Evidence led to the deduction that manual overrides of effective density for clipped OMAR CT pixels reduce dose calculation errors. When the phantom was configured with amalgam and Co-Cr-Mo alloy dental implants the effective density of these implants was found to be 4.5 g/cm3. When the phantom was configured with implants containing amalgam and gold, the effective density of amalgam in the presence of gold was 5.5 g/cm3 while gold had an effective density of 6.5 g/cm3. The median and maximum range of errors for the uncorrected images were ± 0.6 % and 7.4% respectively for the phantom configured with amalgam and Co-Cr-Mo (tray one) and ± 0.5 % and 18.1 % respectively for the phantom containing amalgam and gold (tray two). The median and maximum range of errors for the corrected images after applying overrides of effective densities were ± 0.5 % and 4.7% respectively for tray one and ± 0.3 % and 7.7 % respectively for tray two. In conclusion, introduction of density overrides of walls, wax and effective density of high-density materials can reduce the errors induced by metal artifacts and improve the accuracy of dose calculations in treatment planning systems to deliver the relevant dose to a target organ. / Thesis / Master of Science (MSc)

Atomistic modeling and simulation methods facilitate biomedical research from many respects, including structure-based drug design. The ability of these methods to address biologically relevant problems is largely determined by the accuracy of the treatment of complex solvation effects in target biomolecules surrounded by water. The implicit solvent model – which treats solvent as a continuum with the dielectric and non-polar properties of water – offers a good balance between accuracy and speed. Simple and efficient, generalized Born (GB) model has become a widely used implicit solvent responsible for the estimation of key electrostatic interactions. The main goal of this research is to improve the accuracy of protein-ligand binding calculations in the implicit solvent framework. To address the problem (1) GBNSR6, an accurate yet efficient flavor of GB, has been thoroughly explored in the context of protein-ligand binding, (2) a global multidimensional optimization pipeline is developed to find the optimal dielectric boundary made of atomic and water probe radii specifically for protein-ligand binding calculations using GBNSR6. The pipeline includes (3) two novel post-processing steps for optimum robustness analysis and optimization landscape visualization. In the final step of this research, (4) accuracy gain the optimal dielectric boundary can bring in practice is explored on binding benchmarks, including the SARS-CoV-2 spike receptor-binding domain and the human ACE2 receptor. / Doctor of Philosophy / Drug discovery is one of the most challenging tasks in biological sciences as it takes about 10-15 years and $1.5-2 billion on average to discover a new drug. Therefore, efforts to speed up this process or lower its costs are highly valuable. Computer-aided drug design (CADD) plays a crucial role in the early stage of drug discovery. In CADD, computational approaches are used in order to discover, develop, and analyze drugs and similar biologically active molecules, such as proteins. Proteins are an important class of biological macromolecules that perform their functionality mainly through interactions with other molecules, for example, binding to small molecules so-called ligands. Thorough understanding of protein-ligand interactions is central to comprehending biology at the molecular level. In this study, we introduce and analyze a computational model used for protein-ligand binding free energy calculations. A global multidimensional optimization pipeline is developed to find the optimal parameters of the model,˘aparticularly˘athose parameters involved in the dielectric boundary. In order to examine the robustness of the optimal model to unavoidable perturbations and uncertainties, virtually inevitable in any complex system being optimized, a novel robustness metric is introduced. Finally, the robust optimal model is tested on protein-ligand benchmarks, including a complex related to the novel coronavirus. Results demonstrate relatively higher accuracy in terms of binding free energy calculations compared to reference models.

<p> Simultaneous solar radiation and meteorological observations were taken from an instrumented tower located in southwestern Lake Ontario. During the four month period of this study (July-November, 1969) it was found that short-term fluxes of incoming global radiation could be predicted with a standard error which was better than 0.05 cal cm^-2min^-1 under cloudless conditions. Under cloudy conditions the lowest standard of prediction error (0.14 cal cm^-2min^-1) was obtained using a model which takes into account cloud type transmission. Under cloudless conditions the Fresnel curve underpredicts the albedos observed for low zenith angles and overpredicts when the zenith angle is high. This is mostly due to a backscatter effect estimated to be between 1.5 to 2% and to the albedo of diffuse radiation which was confirmed to be 6.5 to 7%.</p> / Thesis / Master of Science (MSc)

Two distinct research projects were carried out in this dissertation. In the first project the results of first principle calculations on endo- and exohedral complexes of polyhedral oligomeric silsesqiuoxanes (POSS) with atomic and ionic species were carried out. Detailed studies were performed on structures, stabilities and electronic properties of these complexes. The stabilities of the endohedral Tn-POSS ( n = 8, 10 and 12) complexes depends on both the cage size and the nature of the endohedral species. Alkali metal ion encapsulation leads to cage contraction. Electron density was transferred from the cage to the alkali metal cations. Halide encapsulation caused the cages to expand. Electron density was transferred from the halides to the cage. Noble gas encapsulation has minimum effect on the cage structure. Electron transfer between cage framework atoms and He and Ne were negligible. However, a small amount of electron transfer between Ar and POSS cages occurred. Ionization potentials calculated for T10-POSS and T12-POSS endohedral complexes with alkali metals indicate that these complexes have "superalkali" behavior. Several transition metal encapsulations into the T8-POSS cage gave thermodynamically stable endohedral complexes. The HOMO-LUMO gaps for the transition metal endohedral complexes were reduced versus that of pure cage. In almost all cases, the exohedral Tn (n = 8, 10, 12) complexes were energetically more stable than their corresponding endohedral counterparts except for the complex with F-. The exohedral Fpenetrates directly into the Tn-POSS cage forming an endohedral complex. In the second project ab initio electronic structure calculations based on density functional theory were performed to study small silicon clusters containing an endohedral atoms or ions. The formation of endohedral clusters M@Si12 (Li0,1,-1, Na0,1,-1, K+, He, F- and Cl-) depended on the Si12 cage structure and the nature of the embedding species. Only Li0,1,-1, Na0,1,-1 and He form endohedral clusters with different Si12 cage isomers. All observed endohedral clusters are stable and have large HUMO-LUMO gaps (>1eV). The endohedral clusters Li-@Si12 and Na-@Si12 are thermodynamically more stable than their neutral and cationic counterparts. The stability order predicted for the alkali metal series was anionic clusters > neutral clusters> cationic clusters. Encapsulations of halides are completely unfavorable and halide insertions cause the Si12 cage rupture. Encapsulation of two Li atoms into the Si18 cage generates the endohedral Li2@Si18 complex. Encapsulating Na atoms into Si18 cage leads to an exohedral Na2Si18 cluster. Endohedral Si20@Li20 was also investigated and characterized.

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The aim of the thesis was to analyse the costing system in Kasalova pila, s. r. o., to assess the complexity of the performed calculations to determine if the calculations are updated regularly. Further, it was examined the influence of costing system for management of the company. The thesis is divided into two main parts, theoretical and practical part. The theoretical part describes the main concepts of costing, cost classification methods, costing system and its components and structure. In the introduction of the practical part of this thesis is briefly described the company Kasalova pila, s. r. o. In the following chapters is described the costing model used by the example of a particular product. In conclusion of the thesis is reviewed the whole costing system and proposed several recommendations.

<p>Bakgrund: Det har visat sig att det i många fall kan vara svårt att jämföra kalkylinformation mellan likartade enheter trots att dessa använder sig av samma kalkyleringsmetoder, särskilt om enheterna i fråga är geografiskt placerade i regioner med olika kalkyleringstraditioner. Det är därför av intresse att undersöka hur kalkylinformationen kan skilja sig åt i dessa fall. </p><p>Syfte: Syftet är att analysera försäljningsomkostnader med hänseende på deras urval och värdering i kalkyler. </p><p>Genomförande: Vi har genomfört en casestudie med intervjuer med tre enhetschefer i den svenska divisionen samt med tre engelska chefer för motsvarande enheter i den brittiska divisionen inom en och samma globala koncern. </p><p>Resultat: Vi finner i vår studie att kalkyltraditioner spelar en stor roll för vad kalkylinformationen visar, men att det även förekommer stora skillnader mellan enheter som har samma kalkyltradition. Vi bedömer att den främsta orsaken till att dessa skillnader uppkommer är att enheterna tillämpar olika urval.</p> / <p>Background: It has many times proved to be difficult to compare calculation information between different units, although these units use the same calculation method. This is especially so if the units in question geographically are belonging to regions with different calculation traditions. Therefore it is of great interest to examine how calculation information can diverse. </p><p>Purpose: The purpose is to analyse sales costs with focus on selection and valuation in calculations. </p><p>Research Method: We have carried out a case study combined with interviews with three middle-managers in the Swedish division and with three middle-managers for the corresponding units in the UK division of the same global company.</p><p> Results: We find that the calculation traditions to a large extent influences what the calculation information shows, but we also find big differences between units which historically use the same calculation traditions. According to our study the principal cause of the differences comes from the fact that the units use different selections.</p>