Electronic structure and dimerization of a single monatomic gold wire

The electronic structure of a single monatomic gold wire is presented for the first time. It has been obtained with state-of-the-art ab-initio full-potential density-functional (DFT) LMTO (linearized muffin-tin orbital) calculations taking into account relativistic effects. For stretched structures in the experimentally accessible range the conduction band is exactly half-filled, whereas the band structures are more complex for the optimized structure. By studying the total energy as a function of unit-cell length and of a possible bond-length alternation we find that the system can lower its total energy by letting the bond lengths alternate leading to a structure containing separated dimers with bond lengths of about 2.5 \AA, largely independent of the stretching. However, first for fairly large unit cells (above roughly 7 \AA), is the total-energy gain upon this dimerization comparable with the energy costs upon stretching. We propose that this together with band-structure effects is the reason for the larger interatomic distances observed in recent experiments. We find also that although spin-orbit couplings lead to significant effects on the band structure, the overall conclusions are not altered, and that finite Au_2, Au_4, and Au_6 chains possess electronic properties very similar to those of the infinite chain.Comment: (14 pages, 5 figures; Elsevier Preprint style elsart.sty

Weighted norm inequalities for polynomial expansions associated to some measures with mass points

Fourier series in orthogonal polynomials with respect to a measure $\nu$ on $[-1,1]$ are studied when $\nu$ is a linear combination of a generalized Jacobi weight and finitely many Dirac deltas in $[-1,1]$. We prove some weighted norm inequalities for the partial sum operators $S_n$, their maximal operator $S^*$ and the commutator $[M_b, S_n]$, where $M_b$ denotes the operator of pointwise multiplication by b \in \BMO. We also prove some norm inequalities for $S_n$ when $\nu$ is a sum of a Laguerre weight on $\R^+$ and a positive mass on $0$

Water chemistry and soil radon survey at the Poas volcano (Costa Rica)

Radon-in-soil monitoring at the Poas volcano (Costa Rica) has been performed together with water chemistry from the hot crater lake since 1981 and 1983 respectively. The results are discussed as a function of the eruptive evolution of the volcano over a 13 years period (1981-1994). It is shown that no definitely clear precursory radon signals have been recorded. On the contrary, ionic species concentrations are likely to be considered good precursors, together with the temperature variations of the crater lake water

Predicting remaining life of transmission tower steelwork components

Failures in transmission tower’s components usually result in extended disruption of power supply. Repair is very costly as it involves replacement of the transmission lines’ sections affected. Additionally, it might also entail litigation cost associated with power disruption. Maintenance decisions have to be taken in time to prevent a failure. At present, maintenance decisions are mainly based on expert’s judgement, who perform inspections every 10 to 12 years. On specific sites, tower’s components degrade much faster due to aggressive atmospheric conditions, with corrosion being the primary cause of deterioration. In this context, data indicating health state from an UK utility were used to create a Cox model that relates the time before a failure occurs to climatic and atmospheric conditions highly correlated with corrosion. The paper demonstrates the use of the model for predicting remaining tower life, and highlights how this can feed into maintenance planning

Purcell effect in Hyperbolic Metamaterial Resonators

The radiation dynamics of optical emitters can be manipulated by properly designed material structures providing high local density of photonic states, a phenomenon often referred to as the Purcell effect. Plasmonic nanorod metamaterials with hyperbolic dispersion of electromagnetic modes are believed to deliver a significant Purcell enhancement with both broadband and non-resonant nature. Here, we have investigated finite-size cavities formed by nanorod metamaterials and shown that the main mechanism of the Purcell effect in these hyperbolic resonators originates from the cavity hyperbolic modes, which in a microscopic description stem from the interacting cylindrical surface plasmon modes of the finite number of nanorods forming the cavity. It is found that emitters polarized perpendicular to the nanorods exhibit strong decay rate enhancement, which is predominantly influenced by the rod length. We demonstrate that this enhancement originates from Fabry-Perot modes of the metamaterial cavity. The Purcell factors, delivered by those cavity modes, reach several hundred, which is 4-5 times larger than those emerging at the epsilon near zero transition frequencies. The effect of enhancement is less pronounced for dipoles, polarized along the rods. Furthermore, it was shown that the Purcell factor delivered by Fabry-Perot modes follows the dimension parameters of the array, while the decay rate in the epsilon near-zero regime is almost insensitive to geometry. The presented analysis shows a possibility to engineer emitter properties in the structured metamaterials, addressing their microscopic structure

Atrial Dyssynchrony Measured by Strain Echocardiography as a Marker of Proarrhythmic Remodeling and Oxidative Stress in Cardiac Surgery Patients

Aging leads to structural and electrophysiological changes that increase the risk of postoperative atrial arrhythmias; however, noninvasive preoperative markers of atrial proarrhythmic conditions are still needed. This study is aimed at assessing whether interatrial dyssynchrony determined using two-dimensional speckle tracking echocardiography relates to proarrhythmic structural and functional remodeling. A cohort of 45 patients in sinus rhythm referred for cardiac surgery was evaluated by echocardiography and surface electrocardiogram the day before the intervention. Transmembrane potential, connexin, and potassium channel distribution, inflammatory, and nitrooxidative markers were measured from right atrial tissue obtained from patients. A difference greater than 40 milliseconds between right and left atrial free wall contraction confirmed the presence of interatrial dyssynchrony in 21 patients. No difference in relation with age, previous diseases, and 2-dimensional echocardiographic findings as well as average values of global longitudinal right and left atrial strain were found between synchronic and dyssynchronic patients. Postoperative atrial fibrillation incidence increased from 8.3% in the synchronic group to 33.3% in the dyssynchronic ones. P wave duration showed no difference between groups. Action potentials from dyssynchronous patients decreased in amplitude, maximal rate of depolarization, and hyperpolarized. Duration at 30% of repolarization increased, being markedly shorter at 90% of repolarization. Only the dyssynchronous group showed early and delayed afterdepolarizations. Atrial tissue of dyssynchronous patients displayed lateralization of connexin 40 and increased connexin 43 expression and accumulation of tumor necrosis factor-a in the intercalated disc. Tumor necrosis factor-a did not colocalize, however, with lateralized connexin 40. Nitroxidative marks and KATP channels increased perivascularly and in myocytes. Our results demonstrate that, as compared to a traditional surface electrocardiogram, the novel noninvasive echocardiographic evaluation of interatrial dyssynchrony provides a better identification of nonaged-related proarrhythmic atrial remodeling with increased susceptibility to postoperative atrial fibrillation

Seismic imaging of the Northern Andean subduction zone from teleseismic tomography: a torn and fragmented Nazca slab

The Nazca-South America subduction zone in Ecuador is characterized by a complicated along-strike geometry as the slab transitions from flat slab subduction in the south, with the Peruvian flat slab, to what has been characterized as ‘normal’ dipping subduction beneath central Ecuador. Plate convergence additionally changes south to north as the trench takes on a convex shape. Highly heterogeneous bathymetry at the trench, including the aseismic oceanic Carnegie Ridge (CR), and sparse intermediate-depth seismicity has led many to speculate about the behaviour of the downgoing plate at depth. In this study, we present a finite-frequency teleseismic P-wave tomography model of the northern Andes beneath Ecuador and Colombia from 90 to 1200 km depth. Our model builds on prior tomography models in South America by adding relative traveltime residuals recorded at stations in Ecuador. The complete data set is comprised of 114 096 relative traveltime residuals from 1133 stations across South America, with the added data serving to refine the morphology of the Nazca slab in the mantle beneath the northern Andes. Our tomography model shows a Nazca slab with a fragmented along-strike geometry and the first teleseismic images of several proposed slab tears in this region. At the northern edge of the Peruvian flat slab in southern Ecuador, we image a shallow tear at 95–200 km depth that appears to connect mantle flow from beneath the flat slab to the Ecuadorian Arc. Beneath central Ecuador at the latitudes of the CR, the Nazca slab is continuous into the lower mantle. Beneath southern Colombia, the Malpelo Tear breaks the Nazca slab below ∼200 km depth

The effect of the COVID-19 pandemic in intestinal rehabilitation and transplant patients, initial results of an international survey

Introduction: On January 30, 2020 the World Health Organization (WHO) declared the 2019-CoV outbreak in China as a global public health emergency and subsequently, a pandemic on March 11th. It was considered that intestinal failure and intestinal transplant patients might have a higher risk of severe complications from the COVID-19 disease, multidisciplinary intestinal failure teams had to adapt their clinical approaches in order to keep this vulnerable group of patients as safe as possible during the pandemic; but data was lacking. Therefore, in order to improve our knowledge, we designed a voluntary, international survey aiming to address the impact of the COVID-19 disease in intestinal failure and transplant patients worldwide. Patient and Methods: A retrospective, observational, multicenter survey was sent to all centers registered at the Intestinal Rehabilitation and Transplant Association (IRTA). The survey contained three modules: the 1st one consisted of 14 questions about the hospital\u27s activity during the COVID-19 pandemic. The 2nd one, contained 43 questions, was about intestinal failure patient management and outcome and the 3rd one (52 questions) focused on intestinal transplant patients. We used the Google Form platform. We aim to present the preliminary results of the first module. Statistical analysis was performed with the IBM SPSS Statistic version 25.0® program. Results: 13/42 (41%) centers responded; including centers from France, Netherlands, Italy, United States, UK, Sweden, Germany and Argentina. Only 2 centers reported moratorium on intestinal (IT) or multivisceral transplant (MVT), with a mean of 3 months (±4) [Table 1]. Since the pandemic started, 2 institutions reported 4 patients with intestinal rehabilitation or on TPN diagnosed with COVID-19 while 7 centers hospitals claimed to have had 9 patients post-IT/MTV affected by the disease. While 7 centers had their routine follow up and \u27protocol biopsies\u27 in the post-IT/MTV affected, none reported higher rates of rejection or complications. At the same time, 8 centers (77%) were affected by a mean of 15% decrease in referrals for new evaluations of intestinal failure or transplantation (compared to 2019) [Figure 1]. All centers adapted to utilizing telemedicine to follow up on IT/MVT patients. Conclusions: Many aspects of healthcare have been impacted by the COVID-19 pandemic. The survey showed that the number of affected patients has been lower than expected, the reduced number of centers required transient moratorium of their activity, but a secondary observation was that despite the availability of telemedicine, and probably related to the lockdown, there has been a significant reduction in the referrals for evaluation of intestinal failure and transplant patients, that may have the deleterious effect of the delay of treatment in health care system

Amazonian plant crude extract screening for activity against multidrug-resistant bacteria.

Antimicrobial resistance is a subject of great concern in public health and also in the designing of strategies for current therapeutic protocols all over the world. New drugs, including those necessary for a reserve armamentarium and exhibiting less side effects deserve special attention. In rural areas, particularly in Brazil, a huge number of natural products, in different artisanal preparations, mainly from plants, have been used by traditional populations to cure diseases. Despite some of these plants have been studied, many of them are awaiting to have their compounds chemically characterized and investigated their pharmacodynamics properties. Further, as well known, the environment plays a crucial role in the metabolism of these plants, yielding different and varied molecular complexes depending on the period of collection, climate conditions, kind of soil and also the plant speciation. In this report, ethanol crude extract of 10 different botanical specimens from the Amazon region of Brazil, in the Amapa State, were screened for antibacterial activity of 7 clinical resistant microorganisms utilizing as control ATCC bacterial species by the Kirby-Bauer method. Plant extracts of Geissospermum argenteum, Uncaria guianensis, Brosimum acutifolium, Copaifera reticulate, Licania macrophylla, Ptycopetalum olacoides and Dalbergia subcymosa yielded activity against Staphylococcus aureus and Pseudomonas aeruginosa, both multidrug resistant, and Staphylococcus aureus ATCC strain.Disponivel também on line