Screening of the essential oil composition of wild Sicilian thyme

Thirty samples of wild thyme collected from as many Sicilian locations have been analysed for their qualitative and quantitative essential oil profiles. The oils, obtained by hydrodistillation, have been analysed by a combination of GC-FID-MS; in all, 46 components, representing more than 98% of the oils, were fully characterized. Monoterpenes, both hydrocarbons and oxygenated, were the most highly represented components: the former with a range of 8–61% and the latter with a range of 31–86%. Carvacrol was the main compound in 29 samples, ranging between 49 and 83%, suggesting that Thymus capitatus Hoff. et Link. [syn. Coridothymus capitatus (L.) Rchb.f., Satureja capitata L., Thymbra capitata (L.) Cav.] is the most widespread wild species in the Sicilian area. Only one sample, identified as Thymus longicaulis C. Presl., collected from the North-East of Sicily showed a different composition, p-cymene and thymol being the main compounds with 40 and 16%, respectively. Statistical analyses allowed establishing a single broad group, confirming the substantial compositional uniformity of the essential oil profiles of the wild Sicilian thyme.     

Directional asymmetry and correlation of tail injury with left-side dominance occur in Serpentes (Sauropsida)

Recent evidence on directional asymmetry (DA) in species of the paraphyletic assemblage “Lacertilia” indicates a possible biological significance of this phenomenon, and we tested its occurrence in Serpentes by examining bilateral morphological characters, such as the numbers of supralabial and infralabial scutes and the diameter of the eyes, on both sides of museum specimens of seven species: Coronella austriaca, Elaphe longissima, Hierophis viridiflavus, Natrix natrix, Natrix tessellata, Platyceps saharicus, and Vipera aspis. Significant DA (not antisymmetry) occurred in at least one sex of four species and in two characters: H. viridiflavus—the number of infralabial scutes in males; N. tessellata—the diameter of the eyes in males; P. saharicus—the number of infralabial scutes in males and the diameter of the eyes in females; and V. aspis—the number of infralabial scutes in the pooled sexes. In N. tessellata and P. saharicus the DA varied geographically. Rank correlation between the DA of different characters, positive or negative, was significant in one character pair in each of three species. In the largest sample (N. tessellata males from the Levant), tail injury correlated with morphological left-dominant asymmetry (a greater number on the left) of infralabial scutes. Four of ten morphologically left-dominant males, but only 1 of 37 symmetrical or right-dominant males, had an injured tail. The syndrome of morphological DA with functional handicap may be genotypical or phenotypical. Our results support three earlier conclusions: bilateral characters should be examined on both sides of an animal; asymmetry should be analyzed separately in each sex; and the accident proneness of left-handed Homo sapiens merits re-evaluation in view of the apparently wide-spread accident proneness in left-biased Sauropsida (exclusive of Aves).     

Protein–protein structure prediction by scoring molecular dynamics trajectories of putative poses

The prediction of protein–protein interactions and their structural configuration remains a largely unsolved problem. Most of the algorithms aimed at finding the native conformation of a protein complex starting from the structure of its monomers are based on searching the structure corresponding to the global minimum of a suitable scoring function. However, protein complexes are often highly flexible, with mobile side chains and transient contacts due to thermal fluctuations. Flexibility can be neglected if one aims at finding quickly the approximate structure of the native complex, but may play a role in structure refinement, and in discriminating solutions characterized by similar scores. We here benchmark the capability of some state‐of‐the‐art scoring functions (BACH‐SixthSense, PIE/PISA and Rosetta) in discriminating finite‐temperature ensembles of structures corresponding to the native state and to non‐native configurations. We produce the ensembles by running thousands of molecular dynamics simulations in explicit solvent starting from poses generated by rigid docking and optimized in vacuum. We find that while Rosetta outperformed the other two scoring functions in scoring the structures in vacuum, BACH‐SixthSense and PIE/PISA perform better in distinguishing near‐native ensembles of structures generated by molecular dynamics in explicit solvent. Proteins 2016; 84:1312–1320. © 2016 Wiley Periodicals, Inc.     

Competitive interactions between palatable and unpalatable grasses native to a temperate semi-arid grassland of Argentina

The argument that selective grazing leads to competitive replacement of palatable grasses by unpalatable grasses is based upon the assumption that the competitive ability of the palatable species is higher than the one of unpalatable species in the absence of grazing. In order to test this hypothesis we have compared the competitive ability of Stipa clarazii (palatable) and S. trichotoma (unpalatable) under field conditions, and S. clarazii and S. gynerioides (unpalatable) under greenhouse conditions. The three species are native to a temperate semi-arid grassland of central Argentina. In the field experiment, plants of both species were grown either independently or in pairs (palatable + unpalatable), protected from grazing. Shoot and seed production were measured at the end of the growing seasons of 1993, 1994 and 1995. In the greenhouse experiment, plants of both species were grown in pots, either in monoculture or in mixture, under conditions of high and low water and mineral nutrient availability. Total biomass and seed production were measured at the end of the experimental period. In both experiments the presence of the unpalatable species did not affect (P < 0.05) the productive responses of the palatable species. On the contrary, the presence of the palatable species significantly reduced (P < 0.05) the productive responses of the unpalatable species. Our results support the assumption, on which most interpretations of floristic changes induced by grazing are based, that the competitive ability of palatable grasses is higher than the one of unpalatable grasses in the absence of grazing.     

A biphasic multilayer computational model of human skin

The present study investigates the layer-specific mechanical behavior of human skin. Motivated by skin’s histology, a biphasic model is proposed which differentiates between epidermis, papillary and reticular dermis, and hypodermis. Inverse analysis of ex vivo tensile and in vivo suction experiments yields mechanical parameters for each layer and predicts a stiff reticular dermis and successively softer papillary dermis, epidermis and hypodermis. Layer-specific analysis of simulations underlines the dominating role of the reticular dermis in tensile loading. Furthermore, it shows that the observed out-of-plane deflection in ex vivo tensile tests is a direct consequence of the layered structure of skin. In in vivo suction experiments, the softer upper layers strongly influence the mechanical response, whose dissipative part is determined by interstitial fluid redistribution within the tissue. Magnetic resonance imaging-based visualization of skin deformation in suction experiments confirms the deformation pattern predicted by the multilayer model, showing a consistent decrease in dermal thickness for large probe opening diameters.

     

Risky interpretations across the length scales: continuum vs. discrete models for soft tissue mechanobiology

Biomechanics and Modeling in Mechanobiology - Modelling and simulation in mechanobiology play an increasingly important role to unravel the complex mechanisms that allow resident cells to sense and...