Quality classification of Spanish olive oils by untargeted gas chromatography coupled to hybrid quadrupole–time of flight mass spectrometry with atmospheric pressure chemical ionization and metabolomics-based statistical approach

The novel atmospheric pressure chemical ionization (APCI) source has been used in combination with gas chromatography (GC) coupled to hybrid quadrupole time-of-flight (QTOF) mass spectrometry (MS) for determination of volatile components of olive oil, enhancing its potential for classification of olive oil samples according to their quality using a metabolomics-based approach. The full-spectrum acquisition has allowed the detection of volatile organic compounds (VOCs) in olive oil samples, including extra virgin, virgin and lampante qualities. A dynamic headspace extraction with cartridge solvent elution was applied. The metabolomics strategy consisted of three different steps: a full mass spectral alignment of GC-MS data using MzMine 2.0, a multivariate analysis using Ez-Info and the creation of the statistical model with combinations of responses for molecular fragments. The model was finally validated using blind samples, obtaining an accuracy in oil classification of 70 % taking the official established method, “PANEL TEST” as reference.The authors acknowledge the financial support of Generalitat Valenciana, as research group of excellence (PROMETEO II/2014/023) and Collaborative Research on Environment and Food-Safety (ISIC/2012/016). This work and C. Sales grant has been supported by Universitat Jaume I research promotion plans (P1-1B2013-70

Provenance, modification and use of manganese-rich rocks at Le Moustier (Dordogne, France)

The use of colouring materials by Neanderthals has attracted a great deal of attention in recent years. Here we present a taphonomic, technological, chemical-mineralogical and functional analysis of fifty-four manganese rich lumps recovered during past and on-going excavations at the lower rockshelter of Le Moustier (Dordogne, France). We compare compositional data for archaeological specimens with the same information for twelve potential geological sources. Morphometric analysis shows that material from Peyrony’s excavations before the First World War provides a highly biased picture of the importance of these materials for Mousterian groups. These early excavations almost exclusively recovered large modified pieces, while Mn-rich lumps from the on-going excavations predominantly consist of small pieces, only half of which bear traces of modification. We estimate that at least 168 pieces were not recovered during early work at the site. Neanderthals developed a dedicated technology for processing Mn-rich fragments, which involved a variety of tools and motions. Processing techniques were adapted to the size and density of the raw material, and evidence exists for the successive or alternating use of different techniques. Morphological, textural and chemical differences between geological and archaeological samples suggest that Neanderthals did not collect Mn-rich lumps at the outcrops we sampled. The association and variability in Mn, Ni, As, Ba content, compared to that observed at the sampled outcrops, suggests that either the Le Moustier lumps come from a unique source with a broad variation in composition, associating Mn, Ni, As, Ba, or that they were collected at different sources, characterized either by Mn-Ni-As or Mn-Ba. In the latter case, changes in raw material composition across the stratigraphy support the idea that Neanderthal populations bearing different stone tool technologies collected Mn fragments from different outcrops. Our results favour a use of these materials for multiple utilitarian and symbolic purposes.publishedVersio

Influence of temperature on the biaxial strength of cemented carbides with different microstructures

The effect of the temperature on the mechanical strength of WC-Co cemented carbides with different microstructures (grain size and binder content) was evaluated. Biaxial flexural tests were performed on three cemented carbide grades at 600 °C using the ball-on-three-balls (B3B) method. Results were interpreted by Weibull statistics and compared to biaxial strength results at room temperature. A detailed fractographic analysis, supported by Linear Elastic Fracture Mechanics, was performed to differentiate the nature and size of critical defects and the mechanism responsible for the fracture. A significant decrease in the mechanical strength (around 30%) was observed at 600 °C for all grades of cemented carbides. This fact was ascribed to the change in the critical flaw population from sub-surface (at room temperature) to surface defects, associated with the selective oxidation of Co. Additionally, an estimation of the fracture toughness at 600 °C was attempted for the three cemented carbides, based upon the B3B strength results, the corresponding number of the tested specimens fragments and the macroscopic area of the B3B fracture surfaces. The fracture toughness was not affected by the temperature, at least up to 600 °C. In addition, the good agreement with the Single Edge Notch Beam toughness data suggests the possibility of employing this approach for fracture toughness evaluation of brittle materials under different testing conditions.Peer ReviewedPostprin

Prion Protein Gene Variability in Spanish Goats. Inference through Susceptibility to Classical Scrapie Strains and Pathogenic Distribution of Peripheral PrPsc

Classical scrapie is a neurological disorder of the central nervous system (CNS) characterized by the accumulation of an abnormal, partially protease resistant prion protein (PrPsc) in the CNS and in some peripheral tissues in domestic small ruminants. Whereas the pathological changes and genetic susceptibility of ovine scrapie are well known, caprine scrapie has been less well studied. We report here a pathological study of 13 scrapie-affected goats diagnosed in Spain during the last 9 years. We used immunohistochemical and biochemical techniques to discriminate between classical and atypical scrapie and bovine spongiform encephalopathy (BSE). All the animals displayed PrPsc distribution patterns and western blot characteristics compatible with classical scrapie. In addition, we determined the complete open reading frame sequence of the PRNP in these scrapie-affected animals. The polymorphisms observed were compared with those of the herd mates (n¿=¿665) and with the frequencies of healthy herds (n¿=¿581) of native Spanish goats (Retinta, Pirenaica and Moncaina) and other worldwide breeds reared in Spain (Saanen, Alpine and crossbreed). In total, sixteen polymorphic sites were identified, including the known amino acid substitutions at codons G37V, G127S, M137I, I142M, H143R, R151H, R154H, R211Q, Q222K, G232W, and P240S, and new polymorphisms at codons G74D, M112T, R139S, L141F and Q215R. In addition, the known 42, 138 and 179 silent mutations were detected, and one new one is reported at codon 122. The genetic differences observed in the population studied have been attributed to breed and most of the novel polymorphic codons show frequencies lower than 5%. This work provides the first basis of polymorphic distribution of PRNP in native and worldwide goat breeds reared in Spain

Resistencia mecánica de carburos cementados: influencia de la temperatura y la microestructura

En esta investigación se ha evaluado el efecto de la temperatura en la resistencia mecánica de carburos cementados (WC-Co) con diferente camino libre medio de la fase ligante. La misma se determinó a 600°C con discos ensayados en flexión biaxial (3B3). Se determina la resistencia y el módulo de Weibull y se comparan con los valores obtenidos a temperatura ambiente. Se ha realizado un análisis fractográfico detallado para intentar discernir la naturaleza y el tamaño de los defectos que originan la rotura, así como los mecanismos responsables de ésta. Los resultados se discuten y racionalizan en el marco de la mecánica de la fractura elástica lineal, prestando atención al efecto de la temperatura y la microestructura en la fiabilidad mecánica. Adicionalmente, el número de fragmentos de las probetas rotas y la superficie de fractura macroscópica también se han relacionado con la resistencia mecánica y la tenacidad de fractura de los WC-Co investigados.Postprint (published version

Effect of Raw and Extruded Propionic Acid-Treated Field Beans on Energy and Crude Protein Digestibility (In-Vitro and In-Vivo), Growth and Carcass Quality in Grow-Finisher Pigs

The in-vitro ileal digestibility of dry matter (DM), organic matter (OM), and crude protein (CP) of field beans treated with propionic acid (trFB) and extruded trFB (exFB) was determined in experiment 1. The DE and dCP values of trFB and exFB were determined using the difference method in experiment 2. The effect of replacing SBM with trFB and exFB in grow-finisher diets on growth, carcass quality, apparent ileal digestibility (AiD), and total tract digestibility (ATTD) of DM, OM, gross energy (GE), and CP were investigated in experiment 3. In exp. 1, in-vitro digestibility of exFB compared to trFB was unchanged for DM (p = 0.12), increased for OM (p 0.05).info:eu-repo/semantics/publishedVersio

Full configuration interaction calculation of BeH adiabatic states

An all-electron full configuration interaction (FCI) calculation of the adiabatic potential energy curves of some of the lower states of BeH molecule is presented. A moderately large ANO basis set of atomic natural orbitals (ANO) augmented with Rydberg functions has been used in order to describe the valence and Rydberg states and their interactions. The Rydberg set of ANOs has been placed on the Be at all bond distances. So, the basis set can be described as 4s3p2d1f/3s2p1d(Be/H)+4s4p2d(Be). The dipole moments of several states and transition dipole strengths from the ground state are also reported as a function of the RBe–H distance. The position and the number of states involved in several avoided crossings present in this system have been discussed. Spectroscopic parameters have been calculated from a number of the vibrational states that result from the adiabatic curves except for some states in which this would be completely nonsense, as it is the case for the very distorted curves of the 3s and 3p math states or the double-well potential of the 4p math state. The so-called “D complex” at 54 050 cm−1 (185.0 nm) is resolved into the three 3d substates (math,math,math). A diexcited valence state is calculated as the lowest state of math symmetry and its spectroscopic parameters are reported, as well as those of the 2 math (4d) state The adiabatic curve of the 4 math state shows a swallow well at large distances (around 4.1 Å) as a result of an avoided crossing with the 3 math state. The probability that some vibrational levels of this well could be populated is discussed within an approached Landau–Zerner model and is found to be high. No evidence is found of the E(4sσ) math state in the region of the “D complex”. Instead, the spectroscopic properties obtained from the (4sσ) 6 math adiabatic curve of the present work seem to agree with those of the experimental F(4pσ) math state. The FCI calculations provide benchmark results for other correlation models for the open-shell BeH system and evidence both the limitations and capabilities of the basis [email protected] [email protected]