A new basic creep model coupled with a thermomechanical model for the numerical simulation of the time-dependent behaviour of concrete structures

This work is dedicated to the description of a new basic creep model that was developed and integrated in a thermo-mechanical model already available in a FEM-based software – FEMIX. The basic creep model is based on the Dirichlet series expansion of the Double Power Law (DPL) approach, and is capable of predicting the aging creep behaviour of cement based materials (CBM) since early ages. Based on experimental results, the model resorts to a non-linear least square datafitting operation to various loading ages creep compliance curves, and determines a set of model defining coefficients to simulate the aging viscoelastic properties of any CBM. This model was integrated with a thermo-mechanical model capable of simulating maturation, shrinkage and cracking phenomena of CBM. The good predictive performance of the implemented model is appraised by simulating experimental tests at material and structural scale.The authors acknowledge the support provided by FEDER funds through the Operational Programme for Competitiveness and Internationalization - COMPETE and by national funds through FCT (Portuguese Foundation for Science and Technology) within the scope of the project InOlicTower, POCI-01- 0145-FEDER-016905 (PTDC/ECMEST/2635/2014). The first Author would like to acknowledge the grant SFRH/BDE/96381/2013 co-funded by CiviTest and by FCT

Characterization of Plum Procyanidins by Thiolytic Depolymerization

The phenolic compounds of ?Green Gage? (GG) plums (Prunus domestica L.), ?Rainha Cla?udia Verde?, from a ?protected designation of origin? (PDO), in Portugal, were quantified in both flesh and skin tissues of plums collected in two different orchards (GG-V and GG-C). Analyzes of phenolic compounds were also performed on another GG European plum obtained in France (GG-F) and two other French plums, ?Mirabelle? (M) and ?Golden Japan? (GJ). Thiolysis was used for the first time in the analysis of plum phenolic compounds. This methodology showed that the flesh and skin contain a large proportion of flavan-3-ols, which account, respectively, for 92 and 85% in GJ, 61 and 44% in GG-V, 62 and 48% in GG-C, 54 and 27% in M, and 45 and 37% in GG-F. Terminal units of procyanidins observed in plums are mainly (+)-catechin (54?77% of all terminal units in flesh and 57?81% in skin). The GJ plums showed a phenolic composition different from all of the others, with a lower content of chlorogenic acid isomers and the presence of A-type procyanidins as dimers and terminal residues of polymerized forms. The average degree of polymerization (DPn) of plum procyanidins was higher in the flesh (5?9 units) than in the skin (4?6 units). Procyanidin B7 was observed in the flesh of all GG plums and in the skin of the Portuguese ones. Principal component analysis of the phenolic composition of the flesh and skin of these plums obtained after thiolysis allowed their distinction according to the variety and origin, opening the possibility of the use of phenolic composition for variety/origin identification

Characterization of 2,3-diarylxanthones by electrospray mass spectrometry: gas-phase chemistry versus known antioxidant activity properties

Xanthones (XH) are a class of heterocyclic compounds widely distributed in nature that hold numerous noteworthy biological and antioxidant activities. Therefore, it is of utmost importance to achieve relevant detailed structural information to understand and assist prediction of their biological properties. The potential relationship between radical-mediated xanthone chemistry in the gas phase and their promising antioxidant activities has not been previously explored.Thanks are due to Fundação para a Ciência e Tecnologia (FCT, Portugal), European Union, QREN, FEDER and COMPETE, for funding the QOPNA research unit (project PEst-C/QUI/UI0062/2013; FCOMP-01-0124-FEDER-037296), and the Portuguese National Mass Spectrometry Network, RNEM (REDE/1504/REM/2005). E. M. P. Silva is also grateful to FCT (ref SFRH/BPD/66961/2009) for a Post-Doc grant.info:eu-repo/semantics/publishedVersio

Análise estrutural de aduela prefabricada em betão reforçado com fibras para o revestimento de túneis

A presente comunicação descreve a investigação desenvolvida no âmbito da análise estrutural de aduelas prefabricadas em betão reforçado com fibras (BRFA), com comportamento melhorado ao fogo, para os casos de carga a que estão sujeitas durante a sua vida útil. Os ensaios necessários à caracterização das propriedades do BRFA desenvolvido são descritos e os resultados obtidos são apresentados

Headspace solid phase microextraction (spme) analysis of flavor compounds in wines. Effect of the matrix volatile composition in the relative response factors in a wine model

The application of headspace solid phase microextraction (SPME) for flavor analysis has been studied. Headspace SPME sampling was tested for nine common wine flavor compounds in 10% (v/v) aqueous ethanol: linalool, nerol, geraniol, 3-methyl-1-butanol, hexanol, 2-phenylethanol, ethyl hexanoate, ethyl octanoate, and ethyl decanoate. The chemical groups (monoterpenoids, aliphatic and aromatic alcohols, and esters) showed specific behavior in SPME analysis. SPME sampling parameters were optimized for these components. Relative response factors (RRFs), which establish the relationship between the concentration of the compound in the matrix liquid solution and the GC peak area, were estimated for all compounds. Log10(RRF) varied from 0 (3-methyl-1-butanol) to 3 (ethyl decanoate), according to their molecular weight. Quantification by SPME was shown to be highly dependent on the matrix composition; the compounds with higher RRF were the less affected. As a consequence, the data obtained with this methodology should be used taking into consideration these limitations, as shown in the analysis of four monovarietal Bairrada white wines (Arinto, Bical, Cerceal, and Maria Gomes)

Application of Fourier transform infrared spectroscopy and orthogonal projections to latent structures/partial least squares regression for estimation of procyanidins average degree of polymerisation

Fourier transform infrared (FTIR) spectroscopy has being emphasised as a widespread technique in the quick assess of food components. In this work, procyanidins were extracted with methanol and acetone/water from the seeds of white and red grape varieties. A fractionation by graded methanol/chloroform precipitations allowed to obtain 26 samples that were characterised using thiolysis as pre-treatment followed by HPLC-UV and MS detection. The average degree of polymerisation (DPn) of the procyanidins in the samples ranged from 2 to 11 flavan-3-ol residues. FTIR spectroscopy within the wavenumbers region of 1800-700 cm(-1) allowed to build a partial least squares (PLS1) regression model with 8 latent variables (LVs) for the estimation of the DPn, giving a RMSECV of 11.7%, with a R(2) of 0.91 and a RMSEP of 2.58. The application of orthogonal projection to latent structures (O-PLS1) clarifies the interpretation of the regression model vectors. Moreover, the O-PLS procedure has removed 88% of non-correlated variations with the DPn, allowing to relate the increase of the absorbance peaks at 1203 and 1099 cm(-1) with the increase of the DPn due to the higher proportion of substitutions in the aromatic ring of the polymerised procyanidin molecules.The authors gratefully acknowledge Pedro Vasco (Universidade de Aveiro) and Eng. A. Dias Cardoso, Eng. José Carvalheira, and all staff from Estac¸ ão Vitivinícola da Bairrada, Portugal, for the technical support and raw material provided. Thanks are also due to Adega Cooperativa de Pinhel for providing the seed from red grapes. This work was supported by the Research Unit 62/94 QOPNA and project POCTI/EQU/47533/2002. Cláudia Passos was supported by a PhD grant by FCT, SFRH/BD/19072/2004.info:eu-repo/semantics/publishedVersio

Allergic asthma exhaled breath metabolome: a challenge for comprehensive two-dimensional gas chromatography

Allergic asthma represents an important public health issue, most common in the paediatric population, characterized by airway inflammation that may lead to changes in volatiles secreted via the lungs. Thus, exhaled breath has potential to be a matrix with relevant metabolomic information to characterize this disease. Progress in biochemistry, health sciences and related areas depends on instrumental advances, and a high throughput and sensitive equipment such as comprehensive two-dimensional gas chromatography–time of flight mass spectrometry (GC × GC–ToFMS) was considered. GC × GC–ToFMS application in the analysis of the exhaled breath of 32 children with allergic asthma, from which 10 had also allergic rhinitis, and 27 control children allowed the identification of several hundreds of compounds belonging to different chemical families. Multivariate analysis, using Partial Least Squares-Discriminant Analysis in tandem with Monte Carlo Cross Validation was performed to assess the predictive power and to help the interpretation of recovered compounds possibly linked to oxidative stress, inflammation processes or other cellular processes that may characterize asthma. The results suggest that the model is robust, considering the high classification rate, sensitivity, and specificity. A pattern of six compounds belonging to the alkanes characterized the asthmatic population: nonane, 2,2,4,6,6-pentamethylheptane, decane, 3,6-dimethyldecane, dodecane, and tetradecane. To explore future clinical applications, and considering the future role of molecular-based methodologies, a compound set was established to rapid access of information from exhaled breath, reducing the time of data processing, and thus, becoming more expedite method for the clinical purposes