Permutation tests for the equality of covariance operators of functional data with applications to evolutionary biology

In this paper, we generalize the metric-based permutation test for the equality of covariance operators proposed by Pigoli et al. (2014) to the case of multiple samples of functional data. To this end, the non-parametric combination methodology of Pesarin and Salmaso (2010) is used to combine all the pairwise comparisons between samples into a global test. Different combining functions and permutation strategies are reviewed and analyzed in detail. The resulting test allows to make inference on the equality of the covariance operators of multiple groups and, if there is evidence to reject the null hypothesis, to identify the pairs of groups having different covariances. It is shown that, for some combining functions, step-down adjusting procedures are available to control for the multiple testing problem in this setting. The empirical power of this new test is then explored via simulations and compared with those of existing alternative approaches in different scenarios. Finally, the proposed methodology is applied to data from wheel running activity experiments, that used selective breeding to study the evolution of locomotor behavior in mice.A. Cabassi was supported by the MRC (project reference MC_UP_0801/1) and by a “Tesi all’estero” scholarship from Politecnico di Milano, Italy. The authors also wish to thank The Washington State University College of Arts and Sciences, Office of International Programs and Office of Research for travel grants to P.A. Carter

Synthesis and characterization of multiferroic BiMn7_7O12_{12}

We report on the high pressure synthesis of BiMn$_7$O$_{12}$, a manganite displaying a "quadruple perovskite" structure. Structural characterization of single crystal samples shows a distorted and asymmetrical coordination around the Bi atom, due to presence of the $6s^{2}$ lone pair, resulting in non-centrosymmetric space group Im, leading to a permanent electrical dipole moment and ferroelectric properties. On the other hand, magnetic characterization reveals antiferromagnetic transitions, in agreement with the isostructural compounds, thus evidencing two intrinsic properties that make BiMn$_7$O$_{12}$ a promising multiferroic material.Comment: 4 pages, 3 figure

Internal-strain mediated coupling between polar Bi and magnetic Mn ions in the defect-free quadruple-perovskite BiMn3_3Mn4_4O12_{12}

By means of neutron powder diffraction, we investigated the effect of the polar Bi$^{3+}$ ion on the magnetic ordering of the Mn$^{3+}$ ions in BiMn$_3$Mn$_4$O$_{12}$, the counterpart with \textit{quadruple} perovskite structure of the \textit{simple} perovskite BiMnO$_3$. The data are consistent with a \textit{noncentrosymmetric} spacegroup $Im$ which contrasts the \textit{centrosymmetric} one $I2/m$ previously reported for the isovalent and isomorphic compound LaMn$_3$Mn$_4$O$_{12}$, which gives evidence of a Bi$^{3+}$-induced polarization of the lattice. At low temperature, the two Mn$^{3+}$ sublattices of the $A'$ and $B$ sites order antiferromagnetically (AFM) in an independent manner at 25 and 55 K, similarly to the case of LaMn$_3$Mn$_4$O$_{12}$. However, both magnetic structures of BiMn$_3$Mn$_4$O$_{12}$ radically differ from those of LaMn$_3$Mn$_4$O$_{12}$. In BiMn$_3$Mn$_4$O$_{12}$ the moments $\textbf{M}_{A'}$ of the $A'$ sites form an anti-body AFM structure, whilst the moments \textbf{M}$_{B}$ of the $B$ sites result from a large and \textit{uniform} modulation $\pm \textbf{M}_{B,b}$ along the b-axis of the moments \textbf{M}$_{B,ac}$ in the $ac$-plane. The modulation is strikingly correlated with the displacements of the Mn$^{3+}$ ions induced by the Bi$^{3+}$ ions. Our analysis unveils a strong magnetoelastic coupling between the internal strain created by the Bi$^{3+}$ ions and the moment of the Mn$^{3+}$ ions in the $B$ sites. This is ascribed to the high symmetry of the oxygen sites and to the absence of oxygen defects, two characteristics of quadruple perovskites not found in simple ones, which prevent the release of the Bi$^{3+}$-induced strain through distortions or disorder. This demonstrates the possibility of a large magnetoelectric coupling in proper ferroelectrics and suggests a novel concept of internal strain engineering for multiferroics design.Comment: 9 pages, 7 figures, 5 table

Dynamics of Structural Elements of GB1 β-Hairpin Revealed by Tryptophan-Cysteine Contact Formation Experiments

Quenching of the triplet state of tryptophan by close contact with cysteine provides a tool for measuring the rate of intramolecular contact formation, one of the most elementary events in the folding process, in peptides and proteins using only natural probes. Here we present a study performed on a stabilized mutant of the second \u3b2-hairpin of the GB1 domain, where we combine steady-state fluorescence, laser-induced temperature-jump, and contact formation measurements to unveil the role of elementary structural components on hairpin dynamics and overall stability. In particular, our methodology provides access to the conformational dynamics of both the folded and unfolded state of the hairpin under native conditions, revealing the presence of extremely slow dynamics on the microsecond time scale in the unfolded state and coexistence of structures with partial pairing of the tails in the folded state. Comparing model peptides that mimic the turn sequence, we found that both ion pairing and hydrogen bonding due to the threonine side chain contribute to the propensity of turn formation but not to the much slower dynamics of the hydrophobic core formation. Interestingly, the dynamics of the turn region in isolation are significantly faster than the dynamics measured for the unfolded state of the complete hairpin, suggesting that non-native hydrophobic contacts slow down the reconfiguration dynamics of the unfolded state. Overall, the information extracted from these experiments provides kinetic limits on interconversions among conformational populations, hence enabling a simplified multistate free-energy landscape for the GB1 hairpin to be drawn

Application of a low-cost camera on a UAV to estimate maize nitrogen-related variables

The development of small unmanned aerial vehicles and advances in sensor technology have made consumer digital cameras suitable for the remote sensing of vegetation. In this context, monitoring the in-field variability of maize (Zea mays L.), characterized by high nitrogen fertilization rates, with a low-cost color-infrared airborne system could be the basis for a site-specific nitrogen (N) fertilization support system. An experimental field with different N treatments applied to silage maize was monitored during the years 2014 and 2015. Images of the field and reference destructive measurements of above ground biomass, its N concentration and N uptake were taken at V6 and V9 development stages. Classical normalized difference vegetation indices (NDVI) and the indices adjusted by crop ground cover were calculated and regressed against the measured variables. Finally, image colorgrams were used to explore the potential of band-related information in variable estimation. A colorgram is a linear signal that summarizes the color content of each digital image. It is composed of a sequence of the frequency distribution curves of the camera bands, of their related parameters and of results of the principal components analysis applied to each image. The best predictors were found to be the ground cover and the adjusted green-based NDVI: regression equation at V9 resulted in R2 of 0.7 and RRMSE < 25% in external validation. Colorgrams did not improve prediction performance due to the spectral limitations of the camera. Therefore, the feasibility of the method should be tested in future research. In spite of limitations of sensor setup, the modified camera was able to estimate maize biomass due to the very high spatial resolution. Since the above ground biomass is a robust proxy of N status, the modified camera could be a promising tool for a low-cost N fertilization support system

Hydrogeochemical processes controlling water and dissolved gas chemistry at the Accesa sinkhole (southern Tuscany, central Italy).

The 38.5 m deep Lake Accesa is a sinkhole located in southern Tuscany (Italy) that shows a peculiar water composition, being characterized by relatively high total dissolved solids (TDS) values (2 g L-1) and a Ca(Mg)-SO4 geochemical facies. The presence of significant amounts of extra-atmospheric gases (CO2 and CH4), which increase their concentrations with depth, is also recognized. These chemical features, mimicking those commonly shown by volcanic lakes fed by hydrothermal-magmatic reservoirs, are consistent with those of mineral springs emerging in the study area whose chemistry is produced by the interaction of meteoric-derived waters with Mesozoic carbonates and Triassic evaporites. Although the lake has a pronounced thermocline, water chemistry does not show significant changes along the vertical profile. Lake water balance calculations demonstrate that Lake Accesa has &gt;90% of its water supply from sublacustrine springs whose subterranean pathways are controlled by the local structural assessment that likely determined the sinking event, the resulting funnel-shape being then filled by the Accesa waters. Such a huge water inflow from the lake bottom (~9·106 m3 yr-1) feeds the lake effluent (Bruna River) and promotes the formation of water currents, which are able to prevent the establishment of a vertical density gradient. Consequently, a continuous mixing along the whole vertical water column is established. Changes of the drainage system by the deep-originated waters in the nearby former mining district have strongly affected the outflow rates of the local mineral springs; thus, future intervention associated with the ongoing remediation activities should carefully be evaluated to preserve the peculiar chemical features of Lake Accesa.</p

The relation between the incidence of hypernatremia and mortality in patients with severe traumatic brain injury

INTRODUCTION: The study was aimed at verifying whether the occurrence of hypernatremia during the intensive care unit (ICU) stay increases the risk of death in patients with severe traumatic brain injury (TBI). We performed a retrospective study on a prospectively collected database including all patients consecutively admitted over a 3-year period with a diagnosis of TBI (post-resuscitation Glasgow Coma Score < or = 8) to a general/neurotrauma ICU of a university hospital, providing critical care services in a catchment area of about 1,200,000 inhabitants. METHODS: Demographic, clinical, and ICU laboratory data were prospectively collected; serum sodium was assessed an average of three times per day. Hypernatremia was defined as two daily values of serum sodium above 145 mmol/l. The major outcome was death in the ICU after 14 days. Cox proportional-hazards regression models were used, with time-dependent variates designed to reflect exposure over time during the ICU stay: hypernatremia, desmopressin acetate (DDAVP) administration as a surrogate marker for the presence of central diabetes insipidus, and urinary output. The same models were adjusted for potential confounding factors. RESULTS: We included in the study 130 TBI patients (mean age 52 years (standard deviation 23); males 74%; median Glasgow Coma Score 3 (range 3 to 8); mean Simplified Acute Physiology Score II 50 (standard deviation 15)); all were mechanically ventilated; 35 (26.9%) died within 14 days after ICU admission. Hypernatremia was detected in 51.5% of the patients and in 15.9% of the 1,103 patient-day ICU follow-up. In most instances hypernatremia was mild (mean 150 mmol/l, interquartile range 148 to 152). The occurrence of hypernatremia was highest (P = 0.003) in patients with suspected central diabetes insipidus (25/130, 19.2%), a condition that was associated with increased severity of brain injury and ICU mortality. After adjustment for the baseline risk, the incidence of hypernatremia over the course of the ICU stay was significantly related with increased mortality (hazard ratio 3.00 (95% confidence interval: 1.34 to 6.51; P = 0.003)). However, DDAVP use modified this relation (P = 0.06), hypernatremia providing no additional prognostic information in the instances of suspected central diabetes insipidus. CONCLUSIONS: Mild hypernatremia is associated with an increased risk of death in patients with severe TBI. In a proportion of the patients the association between hypernatremia and death is accounted for by the presence of central diabetes insipidus