n/a

n/a

n/a

n/a

Ionization energies of benzyl azide (BA), C6H5CH2N3, its methyl derivatives, 2-, 3- and 4-methyl benzyl azide and (1-azidoethyl)benzene (2-, 3- and 4-MBA and 1-AEB), (CH3)C6H4CH2 N3, have been calculated with several basis sets, with M¯ller-Plesset and Hartree-Fock methods. The data are compared to the ionizations energies obtained from HeI photoelectron spectroscopy (UVPES) experiments, in order to support the correct assignment of the bands. The nature and character of the molecular orbitals are also discussed.

Ionization energies of benzyl azide (BA), C6H5CH2N3, its methyl derivatives, 2-, 3- and 4-methyl benzyl azide and (1-azidoethyl)benzene (2-, 3- and 4-MBA and 1-AEB), (CH3)C6H4CH2 N3, have been calculated with several basis sets, with M¯ller-Plesset and Hartree-Fock methods. The data are compared to the ionizations energies obtained from HeI photoelectron spectroscopy (UVPES) experiments, in order to support the correct assignment of the bands. The nature and character of the molecular orbitals are also discussed.

n/a

n/a

Transactional Memory allows programmers to reduce the number of synchronization errors introduced in concurrent programs, but does not ensures its complete elimination. This paper proposes a pattern matching based approach to the static detection of atomicity violation, based on a path-sensitive symbolic execution method to model four anomalies that may affect Transactional Memory programs. The proposed technique may be used to to bring to programmer’s attention pairs of transactions that the programmer has mis-specified, and should have been combined into a single transaction. The algorithm first traverses the AST tree, removing all the non-transactional blocks and generating a trace tree in the path sensitive manner for each thread. The trace tree is a Trie like data structure, where each path from root to a leaf is a list of transactions. For each pair of threads, erroneous patterns involving two consecutive transactions are then checked in the trace tree. Results allow to conclude that the proposed technique, although triggering a moderate number of false positives, can be successfully applied to Java programs, correctly identifying the vast majority of the relevant erroneous patterns.

n/a

n/a

n/a

Cork is a cellular biomaterial that has unique characteristics that make it suitable for many types of applications. Since it is also an electrical insulator, the study of its electrical and dielectric properties can lead to new interesting applications. The moisture present in cork and derivatives has a very important role on the dielectric properties. In this work a composite made of both recycled cork and TetraPak (R) used containers was studied and compared with other cork products. The dielectric relaxation spectra of natural cork (as received), commercial cork agglomerate and of a composite cork/Tetrapak (R) was investigated in the temperature range of -50 to 120 degrees C and in the frequency range of 10(-1) Hz-2 MHz. For some samples of the composite a small amount of paraffin was added. The highest values for the imaginary part of the dielectric permittivity were found for the commercial material and the composite without paraffin. The lowest was found for the cork/TetraPak (R)/paraffin composite. The influence of humidity content was investigated for the composite with wax. Natural cork shows a peak around 80 degrees C (not seen in the derivative materials). The commercial agglomerate and the cork/TetraPak (R)/paraffin composite show a peak around 40-50 degrees C. In the composite this peak becomes smaller as humidity is removed. (C) 2009 Elsevier B.V. All rights reserved.

n/a

n/a

A collection of 155 accessions of ancient Portuguese common beans (Phaseolus vulgaris L) was evaluated in relation to the content of 8 minerals (Zn, Cu, Fe, Mn, Ca, Mg, P and K) important for human nutrition. A high degree of variability for P. Fe, Zn, Cu, Mn and Ca was observed in the collection. Total correlation matrix analysis revealed the existence of two important sets of strong positive correlations (P <= 0.0001), one involving P, Fe, Zn, Cu and protein, and the other Ca and Mn. The principal component analysis showed that Zn, Fe and Cu are highly correlated to the first component (27% of variability) and Mn and Ca to the second component (22% of the variability). The high mineral variability observed in the seeds of this common bean collection could be useful for the selection of cultivars with higher nutrition value and for the improvement of seed nutrition quality traits. (C) 2010 Elsevier Inc. All rights reserved.

n/a

n/a

For the characterization of the new materials and for a better understanding of the connection between structure and properties it is necessary to use more and more sensible methods to study molecular movement at nanometric scale. This paper presents the experimental basis for a new electrical method to study the fine molecular movements at nanometric scale in dielectric materials. The method will be applied for polar and non-polar materials characterization. Traditionally, the electrical methods used to study the molecular movements are based on the movements of the dipoles that are parts of the molecules. We have proposed recently a combined protocol to analyze charge injection/extraction, transport, trapping and detrapping in low mobility materials. The experimental results demonstrate that the method can be used to obtain a complex thermogram which contains information about all molecular movements, even at nanoscopic level. Actually during the charging process we are decorating the structure with space charge and during the subsequent heating we are observing an apparent peak and the genuine peaks that are related to charge de-trapping determined by the molecular movement. The method is very sensitive, very selective and allows to determinate the parameters for local and collective molecular movements, including the temperature dependence of the activation energy and the relaxation time.

n/a

n/a

n/a

n/a

n/a