Comparative study between two distinct methods for attenuation correction and the use of no-attenuation correction for the assessment of relative uptake of 99mTc-DMSA on pediatric patients

Introduction: Although relative uptake values aren’t the most important objective of a 99mTc-DMSA scan, they are important quantitative information. In most of the dynamic renal scintigraphies attenuation correction is essential if one wants to obtain a reliable result of the quantification process. Although in DMSA scans the absent of significant background and the lesser attenuation in pediatric patients, makes that this attenuation correction techniques are actually not applied. The geometric mean is the most common method, but that includes the acquisition of an anterior (extra) projection, which it is not acquired by a large number of NM departments. This method and the attenuation factors proposed by Tonnesen will be correlated with the absence of attenuation correction procedures. Material and Methods: Images from 20 individuals (aged 3 years +/- 2) were used and the two attenuation correction methods applied. The mean time of acquisition (time post DMSA administration) was 3.5 hours +/- 0.8h. Results: The absence of attenuation correction showed a good correlation with both attenuation methods (r=0.73 +/- 0.11) and the mean difference verified on the uptake values between the different methods were 4 +/- 3. The correlation was higher when the age was lower. The attenuation correction methods correlation was higher between them two than with the “no attenuation correction” method (r=0.82 +/- 0.8), and the mean differences of the uptake values were 2 +/- 2. Conclusion: The decision of not doing any kind of attenuation correction method can be justified by the minor differences verified on the relative kidney uptake values. Nevertheless, if it is recognized that there is a need for an accurate value of the relative kidney uptake, then an attenuation correction method should be used. Attenuation correction factors proposed by Tonnesen can be easily implemented and so become a practical and easy to implement alternative, namely when the anterior projection - needed for the geometric mean methodology – is not acquired.

Optimização energética de um sistema de climatização industrial

O desenvolvimento deste trabalho teve como objectivo a optimização de um sistema de climatização industrial, constituído por quatro centrais de climatização adiabáticas, que apresentam limitações de capacidade de arrefecimento, controlo e eficiência. Inicialmente foi necessária a pesquisa bibliográfica e recolha de informação relativa à indústria têxtil e ao processo de arrefecimento evaporativo. Numa fase posterior foram recolhidos e analisados os diversos dados essenciais à compreensão do binómio edifício/sistema de climatização, para a obtenção de possíveis hipóteses de optimização. Da fase de recolha de informações e dados, destaca-se, também, a realização de análises à qualidade do ar interior (QAI). As optimizações seleccionadas como passíveis de implementação, foram estudadas e analisadas com o auxílio do software de simulação energética dinâmica DesignBuilder e os resultados obtidos foram devidamente trabalhados e ajustados de modo a permitir uma assimilação amigável e de fácil interpretação das suas vantagens e desvantagens, tendo ainda sido objecto de estudo de viabilidade económica. A optimização proposta reflecte uma melhoria substancial das condições interiores ao nível da temperatura e humidade relativa, resultando, ainda assim, numa redução de consumos energéticos na ordem dos 23 % (490.337 kWh), isto é, uma poupança anual de 42.169 € aos custos de exploração e com um período de retorno de 1 ano e 11 meses.

Ligand-Induced structural changes in TEM‑1 probed by molecular dynamics and relative binding free energy calculations

The TEM family of enzymes has had a crucial impact on the pharmaceutical industry due to their important role in antibiotic resistance. Even with the latest technologies in structural biology and genomics, no 3D structure of a TEM- 1/antibiotic complex is known previous to acylation. Therefore, the comprehension of their capability in acylate antibiotics is based on the protein macromolecular structure uncomplexed. In this work, molecular docking, molecular dynamic simulations, and relative free energy calculations were applied in order to get a comprehensive and thorough analysis of TEM-1/ampicillin and TEM-1/amoxicillin complexes. We described the complexes and analyzed the effect of ligand binding on the overall structure. We clearly demonstrate that the key residues involved in the stability of the ligand (hot-spots) vary with the nature of the ligand. Structural effects such as (i) the distances between interfacial residues (Ser70−Oγ and Lys73−Nζ, Lys73−Nζ and Ser130−Oγ, and Ser70−Oγ−Ser130−Oγ), (ii) side chain rotamer variation (Tyr105 and Glu240), and (iii) the presence of conserved waters can be also influenced by ligand binding. This study supports the hypothesis that TEM-1 suffers structural modifications upon ligand binding.