Conformational study and reassessment of the vibrational assignments for Norspermidine

The present study presents and discusses the conformational preferences of Norspermidine (NSpd). The effects of varying the dielectric constant on the conformational preferences are discussed, with a view to infer which conformation will correspond to the most stable in the pure condensed liquid phase. Within the same context, a set of NSpd-NH3 molecular adducts were simulated in order to determine the relevance of intermolecular hydrogen bonding on the overall stability and relative positioning of the respective vibrational frequencies. The calculations presently performed allowed a reassessment of the vibrational assignments for NSpd. A full assignment of the NSpd vibrational spectra is presented, with special emphasis being given to the vibrational modes that proved to be most affected by hydrogen bonding. The various inconsistencies of a prior study found in the literature were identified and rectified

Tocopherol and fatty acids content and proximal composition of four avocado cultivars (Persea Americana Mill)

Avocado pulp is widely regarded as a great source of edible oil containing fat-soluble vitamins and omega-3 fatty acids (FA). However, avocado peel and seeds are also good sources of edible oil and are less explored byproducts. This paper aimed at determining the proximal composition, FA and tocopherol contents of the pulp, peel, and seeds of Quintal, Fortuna, Margarida, and Hass avocado cultivars. The pulps presented high concentrations of oleic acid. In addition, peel and seeds presented lower omega-6/omega-3 ratios than the pulp. There was also a considerable amount of tocopherol in the peel and seeds, especially in Hass peel (230.7 mg/100 g). According to the results, the peel and seeds of avocado that are considered byproducts, can be utilized in food industry

Gravitational quasinormal modes of AdS black branes in d spacetime dimensions

The AdS/CFT duality has established a mapping between quantities in the bulk AdS black-hole physics and observables in a boundary finite-temperature field theory. Such a relationship appears to be valid for an arbitrary number of spacetime dimensions, extrapolating the original formulations of Maldacena's correspondence. In the same sense properties like the hydrodynamic behavior of AdS black-hole fluctuations have been proved to be universal. We investigate in this work the complete quasinormal spectra of gravitational perturbations of $d$-dimensional plane-symmetric AdS black holes (black branes). Holographically the frequencies of the quasinormal modes correspond to the poles of two-point correlation functions of the field-theory stress-energy tensor. The important issue of the correct boundary condition to be imposed on the gauge-invariant perturbation fields at the AdS boundary is studied and elucidated in a fully $d$-dimensional context. We obtain the dispersion relations of the first few modes in the low-, intermediate- and high-wavenumber regimes. The sound-wave (shear-mode) behavior of scalar (vector)-type low-frequency quasinormal mode is analytically and numerically confirmed. These results are found employing both a power series method and a direct numerical integration scheme.Comment: added references, typos corrected, minor changes, final version for JHE

Quasi-maximum likelihood estimation and bootstrap inference in fractional time series models with heteroskedasticity of unknown form

We consider the problem of conducting estimation and inference on the parameters of univariate heteroskedastic fractionally integrated time series models. We first extend existing results in the literature, developed for conditional sum-of-squares estimators in the context of parametric fractional time series models driven by conditionally homoskedastic shocks, to allow for conditional and unconditional heteroskedasticity both of a quite general and unknown form. Global consistency and asymptotic normality are shown to still obtain; however, the covariance matrix of the limiting distribution of the estimator now depends on nuisance parameters derived both from the weak dependence and heteroskedasticity present in the shocks. We then investigate classical methods of inference based on the Wald, likelihood ratio and Lagrange multiplier tests for linear hypotheses on either or both of the long and short memory parameters of the model. The limiting null distributions of these test statistics are shown to be non-pivotal under heteroskedasticity, while that of a robust Wald statistic (based around a sandwich estimator of the variance) is pivotal. We show that wild bootstrap implementations of the tests deliver asymptotically pivotal inference under the null. We demonstrate the consistency and asymptotic normality of the bootstrap estimators, and further establish the global consistency of the asymptotic and bootstrap tests under fixed alternatives. Monte Carlo simulations highlight significant improvements in finite sample behavior using the bootstrap in both heteroskedastic and homoskedastic environments. Our theoretical developments and Monte Carlo simulations include two bootstrap algorithms which are based on model estimates obtained either under the null hypothesis or unrestrictedly. Our simulation results suggest that the former is preferable to the latter, displaying superior size control yet largely comparable power

Global CO2 emissions from dry inland waters share common drivers across ecosystems

Many inland waters exhibit complete or partial desiccation, or have vanished due to global change, exposing sediments to the atmosphere. Yet, data on carbon dioxide (CO2) emissions from these sediments are too scarce to upscale emissions for global estimates or to understand their fundamental drivers. Here, we present the results of a global survey covering 196 dry inland waters across diverse ecosystem types and climate zones. We show that their CO2 emissions share fundamental drivers and constitute a substantial fraction of the carbon cycled by inland waters. CO2 emissions were consistent across ecosystem types and climate zones, with local characteristics explaining much of the variability. Accounting for such emissions increases global estimates of carbon emissions from inland waters by 6% (~0.12 Pg C y−1). Our results indicate that emissions from dry inland waters represent a significant and likely increasing component of the inland waters carbon cycle

IRAM 30-meter millimeter follow-up of deep OSIRIS-GTC optical surveys

It is broadly accepted that CO is a reliable tracer of H2 in massive IR (LIR ≳ 109 L⊙) galaxies, and that there are clear correlations between LIR and L’CO that are qualitatively independent of environment and even redshift. We present two tales on the search for 12CO emission from dusty star-forming galaxies in both field (Lockman Hole, z < 0.1) and cluster (Zw Cl0024.1+1652, z ∼ 0.4) environments, according to the capabilities of the EMIR receiver at the IRAM-30m telescope. The observed galaxies are part of two follow-up programs in the millimetre regime of the spectroscopic Lockman-SpReSO and GLACE surveys in the optical (OSIRIS / 10.4m GTC). From these data we derived LIR and L’CO estimations and put them in the framework of the historic records according to the literature for each environmental case. We provide insights about some practical limits of the current facilities (IRAM observatories, ALMA, LMT) to get reliable estimations for IR at low and intermediate redshifts. Our results suggest that the amount of cold gas and the star formation efficiency increase with the cluster-centric distance, hence pointing to an environmental dependency

Long-term effects of competition and environmental drivers on the growth of the endangered coral Mussismilia braziliensis (Verril, 1867)

Most coral reefs have recently experienced acute changes in benthic community structure, generally involving dominance shifts from slow-growing hard corals to fast-growing benthic invertebrates and fleshy photosynthesizers. Besides overfishing, increased nutrification and sedimentation are important drivers of this process, which is well documented at landscape scales in the Caribbean and in the Indo-Pacific. However, small-scale processes that occur at the level of individual organisms remain poorly explored. In addition, the generality of coral reef decline models still needs to be verified on the vast realm of turbid-zone reefs. Here, we documented the outcome of interactions between an endangered Brazilian-endemic coral (Mussismilia braziliensis) and its most abundant contacting organisms (turf, cyanobacteria, corals, crustose coralline algae and foliose macroalgae). Our study was based on a long (2006–2016) series of high resolution data (fixed photoquadrats) acquired along a cross-shelf gradient that includes coastal unprotected reefs and offshore protected sites. The study region (Abrolhos Bank) comprises the largest and richest coralline complex in the South Atlantic, and a foremost example of a turbid-zone reef system with low diversity and expressive coral cover. Coral growth was significantly different between reefs. Coral-algae contacts predominated inshore, while cyanobacteria and turf contacts dominated offshore. An overall trend in positive coral growth was detected from 2009 onward in the inshore reef, whereas retraction in live coral tissue was observed offshore during this period. Turbidity (+) and cyanobacteria (−) were the best predictors of coral growth. Complimentary incubation experiments, in which treatments of Symbiodinium spp. from M. braziliensis colonies were subjected to cyanobacterial exudates, showed a negative effect of the exudate on the symbionts, demonstrating that cyanobacteria play an important role in coral tissue necrosis. Negative effects of cyanobacteria on living coral tissue may remain undetected from percent cover estimates gathered at larger spatial scales, as these ephemeral organisms tend to be rapidly replaced by longer-living macroalgae, or complex turf-like consortia. The cross-shelf trend of decreasing turbidity and macroalgae abundance suggests either a direct positive effect of turbidity on coral growth, or an indirect effect related to the higher inshore cover of foliose macroalgae, constraining cyanobacterial abundance. It is unclear whether the higher inshore macroalgal abundance (10–20% of reef cover) is a stable phase related to a long-standing high turbidity background, or a contemporary response to anthropogenic stress. Our results challenge the idea that high macroalgal cover is always associated with compromised coral health, as the baselines for turbid zone reefs may derive sharply from those of coral-dominated reefs that dwell under oligotrophic conditions