Knowledge of the relationship between in vivo contrast agent concentration and magnetic resonance (MR) signal response is an important requirement in contrast enhanced MR imaging in general and in MR based perfusion imaging in particular. This relationship is a complex function of the properties of the contrast agent as well as the structure of the target tissue. The aim of the present work was to quantify the effects of the iron oxide nanoparticle based intravascular contrast agent, NC100150 Injection, on proton relaxation rates in different tissue systems in vivo in a pig model and ex vivo in phantoms containing whole blood. Methods that enabled accurate relaxation rate measurements in these organs were developed, and validated. From these measurements, trans-compartmental water exchange rates and blood volume could be estimated and the MR signal response could be predicted as a function of contrast agent concentration under relevant imaging conditions. Using a 1.5 Tesla clinical MR system, the longitudinal (R1=1/T1) proton relaxation rates in blood, renal cortex, paraspinal muscle and myocardium were measured in vivo as a function of plasma concentration (Cp) of NC100150 Injection. The transverse (R2* = 1/T2*) relaxation rates were measured in vivo in blood, renal cortex and muscle as a function of Cp and ex vivo in blood as a function of Cp and blood oxygenation tension. The proton nuclear MR (NMR) linewidth and lineshape were analysed as a function of Cp and blood oxygen tension ex vivo at 7.05 T. In muscle and renal cortex, there was a linear correlation between R2* and Cp whereas R2* increased as a quadratic function of Cp in blood. The NMR linewidth increased linearly with Cp in fully oxygenated blood whereas in deoxygenated blood the linewidth initially decreased with increasing Cp, reaching a minimum and then increasing again with further increase in Cp. R1 increased linearly with Cp in blood and from the slope of R1 vs. Cp the T1-relaxivity (r1) of NC100150 Injection in blood at 1.5 T was estimated to be (mean ± SD) 13.9 ± 0.9 s-1mM-1. In tissue, the maximum increase in R1 was limited by the rate of water exchange between the intravascular and interstitial tissue compartments. Using a two-compartment exchange-limited relaxation model, the permeability surface area (PS) product was estimated to be 61.9 ± 2.9 mL/min/g in renal cortex and 10.1 ± 1.5 mL/min/g in muscle and the total myocardial water exchange rate, kt, was 13.5 ± 6.4 s-1. The estimated blood volumes obtained from the same model were 19.1 ± 1.4 mL/100 g, 2.4 ± 1.4 mL/100 g and 11.2 ± 2.1 mL/100 g, respectively in renal cortex, muscle and myocardium. Current T2* based first-pass MR perfusion methods assume a linear correlation between R2* and Cp both in blood and tissue and our results therefore suggest that quantitative perfusion values can not easily be obtained with existing tracer kinetic models. The correlation between MR signal response and Cp is further complicated in the kidney by a significant first-pass increase in R1 which may lead to an underestimation of Cp. In T1-based perfusion methods, low concentrations of NC100150 Injection must be used in order to maintain a linear dose-response relationship between R1 and Cp. The effect of blood oxygenation on the NMR linewidth in the presence of NC100150 Injection enabled accurate estimation of magnetic susceptibility of deoxyhemoglobin and the effect can potentially be used to determine blood oxygenation status. In conclusion, NC100150 Injection is well suited as a T2* perfusion agent due to the large magnetisation and intravascular biodistribution of this agent. T1-based perfusion imaging with this agent is limited by water exchange effects and large T2* effects at higher contrast agent concentrations. Quantitative perfusion assessment is unlikely to be feasible with any of these approaches due to the non-linear dose response.

The chemistry of actinides in aqueous solution is important, and it is essential to build adequate conceptual models and develop methods applicable for actinide systems. The complex electronic structure makes benchmarking necessary. In the thesis a prototype reaction of the water exchange reaction for uranyl(VI), for both ground and luminescent states, described with a six-water model, was used to study the applicability of density functional methods on actinides and different solvation models. An excellent agreement between the wave function methods CCSD(T) and MP2 was obtained in the ground state, implying that near-minimal CASPT2 can be used with confidence for the reaction in the luminescent state of uranyl(VI), while density functionals are not suited to describe energetics for this type of reaction. There was an ambiguity concerning the position of the waters in the second hydration sphere. This issue was resolved by investigating a larger model, and prop- erly used the six-water model was found to adequately describe the water exchange reaction. The effect of solvation was investigated by comparing the results from conductor-like polarizable continuum models using two cavity models. Scattered numbers made it difficult to determine which solvation model to use. The final conclusion was that the water exchange reaction in the luminescent state of uranyl(VI) should be addressed with near-minimal CASPT2 and a solvation model without explicit cavities for hydrogens. Finally it was shown that no new chemistry appears in the luminescent state for this reaction. The thesis includes a methodological investigation of a multi-reference density functional method based on a range separation of the two-electron interaction. The method depends on a universal parameter, which has been determined for lighter elements. It is shown here that the same parameter could be used for actinides, a prerequisite for further development of the method. The results are in that sense promising.

129I is a radioactive isotope (T1/2= 15.7 million years) produced through natural and anthropogenic pathways, but the anthropogenic production is presently dominating the Earth’s surface environments. Sparse data from previous investigations in the Baltic Sea clearly indicated the occurrence of 129I at levels 3-4 orders higher than natural pre-atomic era (before 1940) without comprehensive evaluation of distribution and inventory. In this thesis extensive data on the distribution and inventory of iodine isotopes, 129I and 127I, and their species in waters of the Baltic Sea, Kattegat and Skagerrak are presented and used for estimation of water masses exchange and impact on the environment.  To fulfill these objectives seawater samples were collected in August 2006 and April 2007 in the Baltic Proper, Kattegat and Skagerrak as well as in December 2009 in the Bothnian Sea. After elaborative chemical separation of total iodine and iodine species, the analysis was performed using ICP-MS for 127I and AMS for 129I. The results reveal considerable differences in 129I concentration in terms of spatial and temporal variability and expose relatively high concentrations in the deep waters. Inventory estimates show higher amounts of 129I in August 2006 (24.2 ±15.4 kg) than in April 2007 (14.4± 8.3 kg) within the southern and central Baltic Proper, whereas almost a constant inventory is found in the Kattegat Basin. Relatively high 127I-/127IO3- and 129I-/129IO3- values in water of the Baltic Proper suggest effective reduction of iodate at a maximum rate of  8×10-7 (127IO3-) and 6×10-14 (129IO3-) (g/m3.day). The combination of 129I and 127I as tracers of water circulation in the Baltic Sea suggest that upwelling deep basinal water occurs into the surface along the Gotland deep and intrusion of North Atlantic water into southern Baltic. Furthermore, 129I-based model inventory reveals inflow of 330 km3/y (230-450 km3/y) water from the Kattegat into the Baltic Proper. Water exchange between the Baltic Proper and the Bothnian Sea and vice versa is estimated at 980 km3/y (600-1400 km3/y) and 1180 km3/y (780-1600 km3/y) respectively. Finally, an environmental assessment of radioactivity associated with 129I burden in the Baltic Sea region is discussed.

BORGES, David Araújo. Utilização de cepas de bactérias no cultivo intensivo de tilápia Oreochromis niloticus, sob sistema de renovação zero água. 2006. 50 f. : Dissertação (mestrado) - Universidade Federalç do Ceará, Centro de Ciências Agrárias, Departamento de Engenharia de Pesca, Fortaleza-CE, 2006 / Submitted by Nádja Goes (nmoraissoares@gmail.com) on 2016-07-12T13:03:29Z No. of bitstreams: 1 2006_dis_daborges.pdf: 228199 bytes, checksum: 33b54c2614fad5363ad43ae8d399c8d4 (MD5) / Approved for entry into archive by Nádja Goes (nmoraissoares@gmail.com) on 2016-07-12T13:04:07Z (GMT) No. of bitstreams: 1 2006_dis_daborges.pdf: 228199 bytes, checksum: 33b54c2614fad5363ad43ae8d399c8d4 (MD5) / Made available in DSpace on 2016-07-12T13:04:07Z (GMT). No. of bitstreams: 1 2006_dis_daborges.pdf: 228199 bytes, checksum: 33b54c2614fad5363ad43ae8d399c8d4 (MD5) Previous issue date: 2006 / Control of water quality in intensive fish culture systems is offten the bottleneck for their successful operation. The most comon problems of water quality in those systems are related to oxigen depletion, organic matter and inorganic nitrogen accumulation, particularly ammonia. Bioaugmentation refers to the treatment of wastes or detrits using microorganisms, as an exemple nitrifing bacterias, which degradate undisareble substances in the system. The employment of bioaugmentation is becoming an option for recirculating fish cultures. Sugested benefits goes from inorganic nitrogen, phosfate and organic matter removal, to algae control in fish culture water. The aim of this experimental was to compare the intensive culture of tilapia Oreochromis niloticus with zero exchage water with and without biocultures introduction. The experiment consisted of 6 aquariums of 180L and nominal volume of 160L, separeted in two diferent treatments “A” and “Ex”; the first one the control grup and the second one the test. Those aquariums were stocked with juvenils of tilapia weiting 26,20 + 0,20g, and fed with 35%CP. During 35 days of culture none water have been chaged in the system Three times a week biocultures were introduced only on treatment “Ex”. Daily some físico – chemical parameters were collected like: pH, temperature and dissolved oxigen; and every week BOD,COD, total ammonia, nitite, nitrate, phosfate and chlorophyll “a” were analized from “A” and “Ex” treatments. For the experimental evaluation, besides those forementioned parameters, nitrogen budget, and some zootecnical index like: growth rate, food conversion rate and survival were utilized. Although “Ex” treatment has shown better results than “A” treatment, after a statistical analises we concluded that there were no diference between those two treatments / O controle da qualidade da água em sistemas intensivo de cultivo de peixes é, via de regra, um dos pontos críticos para o sucesso do supracitado sistema. Os problemas mais comuns de qualidade de água nos sistemas em questão estão relacionados com depleção do oxigênio dissolvido, acúmulo de matéria orgânica e nitrogênio inorgânico, particularmente amônia. Bioremediadores ou bioincrementação refere-se ao tratamento de poluentes ou detritos com o uso de microorganismos, como por exemplo, bactérias nitrificantes, as quais degradam as substâncias indesejadas no sistema. A utilização desta biorremediação vem sendo gradualmente aplicada em sistemas de recirculação. Os benefícios sugeridos vão desde a remoção de nitrogênio inorgânico, fosfato e matéria orgânica, a controle algal da água dos cultivos. O presente trabalho teve o objetivo de comparar o cultivo intensivo da tilápia Oreochromis niloticus, sob sistema de renovação zero de água, com e sem inóculo de cepas de bactérias. No experimento foram utilizados um total de 6 aquários com capacidade de 180L e volume nominal de 160L, divididos em dois tratamentos “A” (grupo controle) e “Ex” (grupo com inóculo bacteriano), neste ultimo sendo realizado 3 inoculações semanais de bactérias,em dias alternados. Os aquários foram povoados com juvenis de tilápia com peso médio de 26,20 + 0,20 g, tendo sido os mesmos alimentados, diariamente, com ração com 35% de PB. Durante os 35 dias de cultivo diariamente foram registrados valores de pH, temperatura e oxigênio dissolvido. Semanalmente foram realizadas análises de DBO, DQO, amônia total, nitrito, nitrato, ortofosfato e clorofila “a”. Para a análise do experimento, além dos parâmetros supracitados, foi utilizado um balanço de massa do nitrogênio e análise de índices zootécnicos como: crescimento dos indivíduos, fator de conversão alimentar e sobrevivência. Embora o tratamento “Ex” tenha apresentado melhores resultados nos parâmetros físico-químicos, no balanço de massa do nitrogênio e nos índices zootécnicos, não foi verificada diferença estatística entre os tratamentos “A” e “Ex”, a um nível de significância de 5%.

CoordenaÃÃo de AperfeiÃoamento de Pessoal de NÃvel Superior / O controle da qualidade da Ãgua em sistemas intensivo de cultivo de peixes Ã, via de regra, um dos pontos crÃticos para o sucesso do supracitado sistema. Os problemas mais comuns de qualidade de Ãgua nos sistemas em questÃo estÃo relacionados com depleÃÃo do oxigÃnio dissolvido, acÃmulo de matÃria orgÃnica e nitrogÃnio inorgÃnico, particularmente amÃnia. Bioremediadores ou bioincrementaÃÃo refere-se ao tratamento de poluentes ou detritos com o uso de microorganismos, como por exemplo, bactÃrias nitrificantes, as quais degradam as substÃncias indesejadas no sistema. A utilizaÃÃo desta biorremediaÃÃo vem sendo gradualmente aplicada em sistemas de recirculaÃÃo. Os benefÃcios sugeridos vÃo desde a remoÃÃo de nitrogÃnio inorgÃnico, fosfato e matÃria orgÃnica, a controle algal da Ãgua dos cultivos. O presente trabalho teve o objetivo de comparar o cultivo intensivo da tilÃpia Oreochromis niloticus, sob sistema de renovaÃÃo zero de Ãgua, com e sem inÃculo de cepas de bactÃrias. No experimento foram utilizados um total de 6 aquÃrios com capacidade de 180L e volume nominal de 160L, divididos em dois tratamentos âAâ (grupo controle) e âExâ (grupo com inÃculo bacteriano), neste ultimo sendo realizado 3 inoculaÃÃes semanais de bactÃrias,em dias alternados. Os aquÃrios foram povoados com juvenis de tilÃpia com peso mÃdio de 26,20 + 0,20 g, tendo sido os mesmos alimentados, diariamente, com raÃÃo com 35% de PB. Durante os 35 dias de cultivo diariamente foram registrados valores de pH, temperatura e oxigÃnio dissolvido. Semanalmente foram realizadas anÃlises de DBO, DQO, amÃnia total, nitrito, nitrato, ortofosfato e clorofila âaâ. Para a anÃlise do experimento, alÃm dos parÃmetros supracitados, foi utilizado um balanÃo de massa do nitrogÃnio e anÃlise de Ãndices zootÃcnicos como: crescimento dos indivÃduos, fator de conversÃo alimentar e sobrevivÃncia. Embora o tratamento âExâ tenha apresentado melhores resultados nos parÃmetros fÃsico-quÃmicos, no balanÃo de massa do nitrogÃnio e nos Ãndices zootÃcnicos, nÃo foi verificada diferenÃa estatÃstica entre os tratamentos âAâ e âExâ, a um nÃvel de significÃncia de 5%. / Control of water quality in intensive fish culture systems is offten the bottleneck for their successful operation. The most comon problems of water quality in those systems are related to oxigen depletion, organic matter and inorganic nitrogen accumulation, particularly ammonia. Bioaugmentation refers to the treatment of wastes or detrits using microorganisms, as an exemple nitrifing bacterias, which degradate undisareble substances in the system. The employment of bioaugmentation is becoming an option for recirculating fish cultures. Sugested benefits goes from inorganic nitrogen, phosfate and organic matter removal, to algae control in fish culture water. The aim of this experimental was to compare the intensive culture of tilapia Oreochromis niloticus with zero exchage water with and without biocultures introduction. The experiment consisted of 6 aquariums of 180L and nominal volume of 160L, separeted in two diferent treatments âAâ and âExâ; the first one the control grup and the second one the test. Those aquariums were stocked with juvenils of tilapia weiting 26,20 + 0,20g, and fed with 35%CP. During 35 days of culture none water have been chaged in the system Three times a week biocultures were introduced only on treatment âExâ. Daily some fÃsico â chemical parameters were collected like: pH, temperature and dissolved oxigen; and every week BOD,COD, total ammonia, nitite, nitrate, phosfate and chlorophyll âaâ were analized from âAâ and âExâ treatments. For the experimental evaluation, besides those forementioned parameters, nitrogen budget, and some zootecnical index like: growth rate, food conversion rate and survival were utilized. Although âExâ treatment has shown better results than âAâ treatment, after a statistical analises we concluded that there were no diference between those two treatments

Les retenues collinaires sont des aménagements hydrauliques largement rencontrés en Afrique du Nord, et plus généralement dans les zones arides et semi-arides de la planète. Ils visent à la fois la conservation en eau dans les bassins versants amont et la rétention des matériaux issus de l'érosion afin d'éviter l'envasement des grands barrages en aval. L'implantation et la gestion de l'eau mobilisée par les retenues collinaires doit s'appuyer sur une connaissance de leur fonctionnement hydrologique. Or ce fonctionnement est encore peu connu, en particulier les processus et l'intensité des flux des échanges retenue-souterrain, constituent une question très ouverte. L'objectif de ce travail est de quantifier et d'analyser le fonctionnement des échanges retenue-souterrain sur un bassin versant agricole. L'étude a été menée sur la retenue collinaire du bassin versant expérimental de Kamech, appartenant à l'ORE OMERE. Dans la première partie de ce travail, une approche de bilan hydrologique a été développée et a permis de montrer que les échanges retenue-souterrain sont dominés par l'infiltration, qui représente environ 79 % des pertes à la retenue collinaire et dépasse largement les pertes par évaporation qui ne représente que 21 %.En revanche, l'analyse croisée des dynamiques hydrologiques dans la retenue et dans la nappe au voisinage de la retenue a mis en évidence des échanges qui se produisent dans les deux sens : des échanges dominés par un flux d'infiltration avec la nappe au pied du barrage, par contre, les échanges avec la nappe latérale des versants se produisent dans les deux sens mais restent très fugaces. Les résultats préliminaires de l'approche de modélisation développé dans ce travail a permis de souligner la complexité des échanges retenue-souterrain et montre que la relation entre la hauteur d'eau dans la retenue et le flux d'infiltration n'est pas univoque et présente des comportements différents entre la phase de montée et la phase de descente du niveau d'eau dans la retenue. / Hill reservoirs are hydraulic infrastructures widely used in North Africa, generally in arid and semi arid zones of the planet. These infrastructures are used for both water conservation in the catchment scale and to reduce siltation of downstream dams. The implementation and the management of water resources mobilized in this infrastructure must be based on knowledge of their hydrological functioning. However, the hydrological functioning of this system is not very known, especially the water flux exchange processes and intensity between the reservoir and the subsurface is still an open question.The main purpose of this study is to quantify and analyse the hydrological functioning of the reservoir-subsurface exchange processes for an agricultural catchment. This study was conducted on the hill reservoir of the experimental observation site of Kamech belonging to the OMERE observatory. In the first part of this study, we develop a water balance approach to estimate reservoir-subsurface exchange flux. The results of this approach shows that reservoir-subsurface exchange flux is dominated by infiltration that represent about 79% of the water outflow, and largely exceeds the water loss by evaporation that represents only 21 % of the total water outflow. However, the cross-analysis of the hydrological dynamics of the hill reservoir and the aquifer in the vicinity of the reservoir revealed that infiltration can occur in both directions: reservoir-subsurface exchange dominated by infiltration with the aquifer located in the foot of the dam, however the water exchange with the lateral aquifer of the hill reservoir can occur in both directions but remain very fleeting. The preliminary results of the modeling approach developed in this work has highlighted the complexity of reservoir-subsurface exchange flux. In fact, the relationship between water level in the hill reservoir and the infiltration flux is not unique and can present different behavior between the rise and decrease phase of the water level in the hill reservoir.

No description available.

Applying mathematical models to dynamic contrast enhanced MRI (DCE MRI) data to perform quantitative tracer kinetic analysis enables the estimation of tissue characteristics such as vascular permeability and the fractional volume of plasma in a tissue. However, it is unclear to what extent modeling assumptions, particularly regarding water exchange between tissue compartments, impacts parameter estimates derived from clinical DCE MRI data. In this work, a new model is developed which includes water exchange effects, termed the water exchange modified two compartment exchange model (WX-2CXM). Two boundaries of this model (the fast and no exchange limits) were used to analyse a clinical DCE MRI bladder cancer dataset. Comparisons with DCE CT, which is not affected by water exchange, suggested that water exchange may have affected estimates of vp, the fractional volume of plasma. Further investigation and simulations led to the development of a DCE MRI protocol which was sensitised to water exchange, in order to further evaluate the water exchange effects found in the bladder cancer dataset. This protocol was tested by imaging the parotid glands in eight healthy volunteers, and confirmed evidence of water exchange effects on vp, as well as flow Fp and the fractional volume of extravascular extracellular space ve. This protocol also enabled preliminary estimates of the water residence times in parotid tissue, however, these estimates had a large variability and require further validation. The work presented in this thesis suggests that, although water exchange effects do not have a large effect on clinical data, the effect is measurable, and may lead to the ability to estimate of tissue water residence times. Results do not support a change in the current practise of neglecting water exchange effects in clinical DCEMRI acquisitions.

The thesis is focused on the synthesis and characterization of novel Mn2+ complexes as alternative to Gd3+ chelates which are wide-spread contrast agents in Magnetic Resonance Imaging (MRI). In the perspective to find suitable chelators of Mn2+ , three groups of pentadentate ligands with different size of macrocylic cavity, different donor atoms and number of pendant arms containing various functional groups have been investigated. Coordination numbers of 6 or 7 were found in the crystal structure of the Mn2+ complexes enabling binding of one or two water molecules in the first coordination sphere. The direct water coordination causes a decrease in the complex stability and thus, the thermodynamic stability of investigated chelates is lower than that of polyaminocarboxylate complexes and their dissociation is very fast in comparison to [Mn(nota)] and [Mn(dota)]2- . The studied Mn2+ complexes do not undergo oxidation in air except for complexes with 12-membered ligands which are oxidized to Mn3+ species. The proton relaxivities of the bishydrated complexes are two times higher than those for monohydrated complexes and are comparable to those of commercial contrast agents based on Gd3+ complexes. Variable-temperature 17 O NMR data revealed that the water exchange varies from slow to intermediate or...