Quantitative volumetric metabolic measurement of solitary pulmonary nodules by F-18 fluorodeoxyglucose positron emission tomography-computed tomography.

Background: This study aims to evaluate the effect of quantitative volumetric metabolic measurements in F-18 fluorodeoxyglucose positron emission tomographycomputed tomography to distinguish benign and malignant solitary pulmonary nodules.

Methods: We retrospectively reviewed 78 patients (56 males; 22 females; mean age 61±11.9 years; range, 32 to 82 years) with solitary pulmonary nodules who underwent F-18 fluorodeoxyglucose positron emission tomography-computed tomography.

Theoretical study of the structures and chemical ordering of cobalt-palladium nanoclusters.

Global optimization of 1 : 1 compositions of (Co-Pd)N/2 up to N = 150 and all compositions of 34- and 38-atom binary clusters has been performed using a genetic algorithm, coupled with the Gupta empirical potential to model interatomic interactions. An ab initio approach based on density functional theory (DFT) has been used to reoptimize the "putative" global minimum GM structures for 1 : 1 compositions of (Co-Pd)N/2 up to N = 50 and all compositions of 34- and 38-atom binary clusters. A detailed analysis of Co-Pd structural motifs and segregation effects is presented.

DFT study of the structures and energetics of 98-atom AuPd clusters.

The energetics, structures and segregation of 98-atom AuPd nanoclusters are investigated using a genetic algorithm global optimization technique with the Gupta empirical potential (comparing three different potential parameterisations) followed by local minimizations using Density Functional Theory (DFT) calculations. A shell optimization program algorithm is employed in order to study the energetics of the highly symmetric Leary Tetrahedron (LT) structure and optimization of the chemical ordering of a number of structural motifs is carried out using the Basin Hopping Monte Carlo approach. Although one of the empirical potentials is found to favour the LT structure, it is shown that Marks Decahedral and mixed FCC-HCP motifs are lowest in energy at the DFT level.