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The Computer Tomography (CT) scanned images are very important for the Treatment Planning System (TPS) to provide the electron density of the different types of tissues that the radiation penetrates in the path to the tumor to be treated. This electron density is converted to an attenuation coefficient, which varies with tissue for each structure and even varies by the tissue volume. The purpose of this research is to evaluate the CT numbers, and convert them into relative electron densities. Twenty-five patients’ data and CT numbers were evaluated in the CT scanner and in Eclipse and were converted into relative electron density and compared with each other. The differences between the relative electron density in the Eclipse was found to be from 0 up to 6% between tissue equivalent materials, the final result for all equivalent tissue materials was about 2%. For the patients’ data, the percentage difference of CT number versus electron density was found to be high for high relative electron density organs, namely the final average result for the spine was 8%, less for pelvis, and less for rib while for the other organs it was even less. The very lowest was 0.3% compared with 1% which is acceptable for clinical standards. / Includes bibliography. / Thesis (M.S.)--Florida Atlantic University, 2019. / FAU Electronic Theses and Dissertations Collection

Intermetallic borides are characterized by a great variety of crystal structures and bonding interactions, however, a comprehensive rationalisation of the electronic structure is missing. A more general interpretation will be targeted towards comparing several boride phases of one particular transition metal on one hand side, but also isostructural borides of various metals at the other side. Finally, a concise model should result from a detailed analysis of excellent data both from experimental charge density analysis and quantum chemical methods. Ultimate target is a transferability model based on typical building blocks. Experimental investigations of the electron density derived from diffraction data are very rare for intermetallic compounds. One of the main reasons is that the suitability of such compounds for charge density analysis is estimated to be relatively low as compared to organic compounds. In the present work, X-ray single crystal diffraction measurements up to high resolution were carried out for TiB2, VB2, V3B4, and VB crystals. The respective experimental electron densities were reconstructed using the multipole model introduced by Hansen and Coppens [1]. The topological aspects of the experimental electron density were analysed on the basis of the multipole parameters using Bader’s Quantum Theory, Atoms in Molecules [2] and compared with theoretical calculations. References [1] Hansen, N.K.; Coppens, P. Acta Crystallogr. 1978, A34, 909 [2] Bader, R.F.W. Atoms in Molecules─A Quantum Theory; Oxford University Press: Oxford, 1990

Computational methods are a convenient resource to solve drawbacks of drug research such as high cost, time-consumption, and high risk of failure. In order to get an optimum search of new drugs we need to design a rational approach to analyze the molecular forces that govern the interactions between the drugs and their target molecules. The objective of this project is to get an understanding of the interactions between drugs and proteins at the molecular level. The interaction energy, when protein and drugs react, has two components: non-covalent and covalent. The former accounts for the ionic interactions, the later accounts for electron transfer between the reactants. We study each energy component using the most popular analysis tools in computational chemistry such as docking scoring, molecular dynamics fluctuations, electron density change, molecular electrostatic potential (MEP), density of states projections, and the transmission function. We propose the probability of transfer of electrons (transmission function) between reactants in protein-drug complexes as an alternative tool for molecular recognition and as a direct correlator to the binding affinity. The quadratic correlation that exists between the electron transfer rate and the electronic coupling strength of the reactants allow a clear distinguishability between ligands. Thus, in order to analyze the binding affinity between the reactants, a calculation of the electronic coupling between them is more suitable than an overall energetic analysis such as free reaction energy.

Modeling the ionosphere, where the effects of solar dynamo becomes more effective to space based and ground borne activities, has an undeniable importance for telecommunication and navigation purposes. Mid-latitude electron density trough is an interesting phenomenon in characterizing the behavior of the ionosphere, especially during disturbed conditions. Modeling the mid-latitude electron density trough is a very popular research subject which has been studied by several researchers until now. In this work, an operational technique has been developed for a probabilistic space weather forecast using fuzzy modeling and computer based detection of trough in two steps. First step is to detect the appropriate geomagnetical conditions for trough formation, depending on the values of 3-h planetary K index (Kp), magnetic season, latitude and local time, by using fuzzy modeling technique. Once the suitable geomagnetic conditions are detected, second step is to find the lower latitude position (LLP) and minimum position (MP) of the observed trough being two main identifiers of the mid-latitude electron density trough. A number of case studies were performed on ARIEL 4 satellite data, composed of different geomagnetic, annual and diurnal characteristics. The results obtained from fuzzy modeling show that the model is able to detect the appropriate conditions for trough occurrence and the trough shape was effectively identified for each selected case by using the predefined descriptions of mid-latitude electron density trough. The overall results are observed to be promising.

The aim of this study is to determine the free electron density distribution of the Milky Way Galaxy using dispersion measures of pulsars. By making use of 1893 Galactic pulsar, 274 supernova remnant and 543 HII region data, the overall free electron density map of the Galaxy is obtained by using a 3D mesh-like structure of irregular size. The main idea behind the study is to treat each 3D section of the Galaxy privately considering the distance versus dispersion measure graphs of the pulsars that fall into those sections. This sectioning procedure is followed using a trial and error method and results in 348 sections through which free electron densities can be calculated. Using linear fits of distance versus dispersion measure graphs, pulsars that deviate from the curves are investigated and new distances are adopted to 140 of them that are decided to have wrong distance estimates. By this way both distance values and the free electron densities of the sections are improved. In the end, by using the free electron density values of 348 sections, a projected and cumulative free electron density map of the Galaxy is plotted in polar coordinates. This map is compared with three different spiral arm models and it is seen that the best accordance is with Hou et al. 2009 spiral arm model.

The auroral density cavity constitutes the boundary between the cold, dense ionospheric plasma and the hot, tenuous plasma sheet plasma. The auroral density cavity is characterized by low electron density and particle populations modified by parallel electric fields. Inside the cavity the electron densities can be as much as a factor 100-1000 lower than same altitude outside the cavity.The Cluster mission's wide range of instruments, long lifetime and ability to make multi-spacecraft observations has been very successful. Over its 15 year lifespan, the Cluster satellites have gathered data on auroral density cavities over a large altitude range and throughout an entire solar cycle, providing a vast data material.The extent of the density cavity and acceleration region is large compared to the typical altitude coverage of a satellite crossing the cavity. This makes it difficult to produce a comprehensive altitude/density profile from a single crossing. In order to facilitate comparisons between data from different events, we introduce a new reference frame, pseudo altitude. Pseudo altitude describes the satellites' position relative to the acceleration region, as opposed to relative to the Earth. This pseudo altitude is constructed by dividing the parallel potential drop below the satellite with the total parallel potential drop. A pseudo altitude of 0 corresponds to the bottom of the acceleration region and a pseudo altitude of 1 to the top of the acceleration region. As expected, the pseudo altitude increases with altitude. The electron density exhibits an anti-correlation with the pseudo altitude, the density becomes lower close to the upper edge of the acceleration region. The upper edge of the acceleration region is located between a geocentric altitude of 4.375 and 5.625 RE. Above the upper edge of the acceleration region, the electron density continues to decrease for the entire range of the study, 3.0-6.5 RE. This is much further than the geocentric altitude range of 2-3 RE which is suggested by previous models. We can conclude that the auroral density cavity is not confined by the auroral acceleration region, as suggested by previous models, and may extend all the way to the plasma sheet. / <p>QC 20151102</p>

Breast CT is a promising modality whose inherent scatter could be used to reconstruct electron density (rho_e) images. This has led us to investigate the benefits of reconstructing linear attenuation coefficient (mu) and (rho_e) images of the breast. First generation CT provides a cost-effective and simple approach to reconstruct (rho_e) images in a laboratory but is limited by the anisotropic probability of scatter, attenuation, noise and contaminating scatter (coherent and multiple scatter). These issues were investigated using Monte Carlo (MC) simulations of a first generation breast scatter enhanced CT (B-SECT) system. A reconstruction algorithm was developed for the B-SECT system and is based on a ring of detectors which eliminates the scatter dependence on the relative position of the scattering centre. The algorithm incorporates an attenuation correction based on the (mu) image and was tested against analytical and MC simulations. MC simulations were also used to quantify the dose per scan. The ring measures a fraction of the total single incoherent scatter which is proportional to ray integrals of (rho_e) and can be quantified even when electron binding is non negligible. The algorithm typically reconstructs accurate (rho_e) images using a single correction for attenuation but has the capability for multiple iterations if required. MC simulations show that the dose coefficients are similar to those of cone beam breast CT. Coherent and multiple scatter can not be directly related to (rho_e) and lead to capping artifacts and overestimated (rho_e) by a factor greater than 2. This issue can be addressed using empirical corrections based on the radiological path of the incident beam and result in (rho_e) images of breast soft tissue with 1% accuracy, 3% precision and a mean glandular dose of 4 mGy for a 3D scan. The reconstructed (rho_e) image was more accurate than the (rho_e) estimate derived from the (mu) image. An alternative correction based on the thickness of breast traversed by the beam provides an enhanced contrast image reflecting the breast scatter properties. These results demonstrate the feasibility of detecting small (rho_e) changes in the intact breast and shows that further experimental evaluation of this technique is warranted.

Breast CT is a promising modality whose inherent scatter could be used to reconstruct electron density (rho_e) images. This has led us to investigate the benefits of reconstructing linear attenuation coefficient (mu) and (rho_e) images of the breast. First generation CT provides a cost-effective and simple approach to reconstruct (rho_e) images in a laboratory but is limited by the anisotropic probability of scatter, attenuation, noise and contaminating scatter (coherent and multiple scatter). These issues were investigated using Monte Carlo (MC) simulations of a first generation breast scatter enhanced CT (B-SECT) system. A reconstruction algorithm was developed for the B-SECT system and is based on a ring of detectors which eliminates the scatter dependence on the relative position of the scattering centre. The algorithm incorporates an attenuation correction based on the (mu) image and was tested against analytical and MC simulations. MC simulations were also used to quantify the dose per scan. The ring measures a fraction of the total single incoherent scatter which is proportional to ray integrals of (rho_e) and can be quantified even when electron binding is non negligible. The algorithm typically reconstructs accurate (rho_e) images using a single correction for attenuation but has the capability for multiple iterations if required. MC simulations show that the dose coefficients are similar to those of cone beam breast CT. Coherent and multiple scatter can not be directly related to (rho_e) and lead to capping artifacts and overestimated (rho_e) by a factor greater than 2. This issue can be addressed using empirical corrections based on the radiological path of the incident beam and result in (rho_e) images of breast soft tissue with 1% accuracy, 3% precision and a mean glandular dose of 4 mGy for a 3D scan. The reconstructed (rho_e) image was more accurate than the (rho_e) estimate derived from the (mu) image. An alternative correction based on the thickness of breast traversed by the beam provides an enhanced contrast image reflecting the breast scatter properties. These results demonstrate the feasibility of detecting small (rho_e) changes in the intact breast and shows that further experimental evaluation of this technique is warranted.

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