The electronic spectra of protonated PANH molecules

Aims. This study was designed to examine the viability of protonated nitrogen-substituted polycyclic aromatic hydrocarbons (H+PANHs) as candidates for the carriers of the diffuse interstellar bands (DIBs). Methods. We obtained the electronic spectra of two protonated PANH cations, protonated acridine and phenanthridine, using parent ion photo-fragment spectroscopy and generated theoretical electronic spectra using ab initio calculations. Results. We show that the spectra of the two species studied here do not correspond to known DIBs. However, based on the general properties derived from the spectra of these small protonated nitrogen-substituted PAHs, we propose that larger H+PANH cations represent good candidates for DIB carriers due to the expected positions of their electronic transitions in the UV-visible and their narrow spectral bands.Comment: 7 pages, 2 figures, accepted for publication in A&

A coupled thermal-analytical and mechanical approach to investigate the behavior of bonded anchors cured at sub-zero temperatures

In post-installed connection in reinforced concrete structures, bonded anchors are commonly adopted when elevated mechanical performances are required. Such performances may be significantly impaired by adverse service conditions, above all temperature variations with respect to room ambient one. It is also generally acknowledged that the curing temperature may impact on the anchor performances, to the extent that all the main existing qualification procedures assess the anchor behavior when cured at different temperatures, in particular below zero Celsius degree. However, among the few investigations focusing on the impact of a low curing temperature on the long term behavior of an anchor, a low effort exists in addressing the relationship between the anchor mechanical behavior and the thermal properties of the bonding agent. The paper proposes a coupled thermal-analytical and mechanical approach to detect potential critical issues in the long term mechanical behavior of the anchor as a function of the adhesive behavior, as investigated by thermal or thermo-mechanical analyses. To the scope, a wide investigation on two adhesives is carried out comprising MDSC, DMA, pull-out and sustained load tests. On the basis of the obtained results, it is concluded that some thresholds in the variations of degree of conversion and phase transition temperatures may indicate a negligible impact of a low curing temperature on the anchor mechanical behavior, but also that existing qualification procedures are not able to capture the anchor behavior, when cured at low temperatures and subjected, during its service life, to temperatures higher than room ambient one

Numerical analysis and simulation of the dynamics of mountain glaciers

In this chapter, we analyze and approximate a nonlinear stationary Stokes problem that describes the motion of glacier ice. The existence and uniqueness of solutions are proved and an a priori error estimate for the finite element approximation is found. In a second time, we combine the Stokes problem with a transport equation for the volume fraction of ice, which describes the time evolution of a glacier. The accumulation due to snow precipitation and melting are accounted for in the source term of the transport equation. A decoupling algorithm allows the diffusion and the advection problems to be solved using a two-grids method. As an illustration, we simulate the evolution of Aletsch glacier, Switzerland, over the 21st century by using realistic climatic conditions

Communication: UV photoionization of cytosine catalyzed by Ag+

The photo-induced damages of DNA in interaction with metal cations, which are found in various environments, still remain to be characterized. In this paper, we show how the complexation of a DNA base (cytosine (Cyt)) with a metal cation (Ag+) changes its electronic properties. By means of UV photofragment spectroscopy of cold ions, it was found that the photoexcitation of the CytAg+ complex at low energy (315-282) nm efficiently leads to ionized cytosine (Cyt+) as the single product. This occurs through a charge transfer state in which an electron from the p orbital of Cyt is promoted to Ag+, as confirmed by ab initio calculations at the TD-DFT/B3LYP and RI-ADC(2) theory level using the SV(P) basis set. The low ionization energy of Cyt in the presence of Ag+ could have important implications as point mutation of DNA upon sunlight exposition.Fil: Taccone, Martín Ignacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Féraud, Geraldine. Aix Marseille Université. Physique des Interactions Ioniques et Moléculaires; FranciaFil: Berdakin, Matias. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Dedonder Lardeux, Claude. Aix Marseille Université. Physique des Interactions Ioniques et Moléculaires; FranciaFil: Jouvet, Christophe. Physique des Interactions Ioniques et Moléculaires; FranciaFil: Pino, Gustavo Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentin

Exact Scale Invariance of Composite-Field Coupling Constants

We show that the coupling constant of a quantum-induced composite field is scale invariant due to its compositeness condition. It is first demonstrated in next-to-leading order in 1/N in typical models, and then we argue that it holds exactly.Comment: 4 page

One-Parameter GHG Emission Policy with R&D-based Growth

This document examines the GHG emission policy of regions which use land, labor and emitting inputs in production and enhance their productivity by devoting labor to R&D, but with different endowments and technology. The regions also have different impacts on global pollution. The problem is to organize common emission policy, if the regions cannot form a federation with a common budget and the policy parameters must be uniform for all regions. The results are the following. If a self-interested central planner allocate emission caps in fixed proportion to past emissions (i.e. grandfathering), then it establishes the Pareto optimum, decreasing emissions and promoting R&D and economic growth

Non-radiative processes in protonated diazines, pyrimidine bases and an aromatic azine

International audienceThe excited state lifetimes of DNA bases are often very short due to very efficient non-radiative processes assigned to the pp*–np* coupling. A set of protonated aromatic diazine molecules (pyridazine, pyrimidine and pyrazine C4H5N2+) and protonated pyrimidine DNA bases (cytosine, uracil and thymine), as well as the protonated pyridine (C5H6N+), have been investigated. For all these molecules except one tautomer of protonated uracil (enol–keto), electronic spectroscopy exhibits vibrational line broadening. Excited state geometry optimization at the CC2 level has been conducted to find out whether the excited state lifetimes measured from line broadening can be correlated to the calculated ordering of the pp* and np* states and the pp*–np* energy gap. The short lifetimes, observed when one nitrogen atom of the ring is not protonated, can be rationalized by relaxation of the pp* state to the np* state or directly to the electronic ground state through ring puckering

Subglacial hydrology from high-resolution ice-flow simulations of the Rhine Glacier during the Last Glacial Maximum: a proxy for glacial erosion

At the Last Glacial Maximum (LGM), the Rhine Glacier complex (Rhine and Linth glaciers) formed large piedmont lobes extending north into the Swiss and German Alpine forelands. Numerous overdeepened valleys there were formed by repeated glaciations. A characteristic of these overdeepened valleys is their location close to the LGM ice margin, away from the Alps. Numerical models of ice flow of the Rhine Glacier indicate a poor fit between the sliding distance, a proxy for glacial erosion, and the location of these overdeepenings. Calculations of the hydraulic potential based on the computed time-dependent ice surface elevations of the Rhine Glacier lobe obtained from a high-resolution thermo-mechanically coupled Stokes flow model are used to estimate the location of subglacial water drainage routes. Results indicate that the subglacial water discharge is high and focused along glacial valleys and overdeepenings when water pressure is equal to the ice overburden pressure. These conditions are necessary for subglacial water to remove basal sediments, expose fresh bedrock, and favor further erosion by quarrying and abrasion. Knowledge of the location of paleo-subglacial water drainage routes may be useful to understand patterns of subglacial erosion beneath paleo-ice masses that do not otherwise relate to the sliding of ice. Comparison of the erosion pattern from subglacial meltwater with those from quarrying and abrasion shows the importance of subglacial water flow in the formation of distal overdeepenings in the Swiss lowlands.</p

Validation and Management of Data Quality Metrics on ICU Patients

Real-time monitoring of lung function is one of the most promising applications of electrical impedance tomography (EIT). There are however some technical challenges that require validating diagnostic information extracted from EIT images. Two new data quality metrics are proposed and are applied on EIT and ventilator data acquired in an intensive care unit (ICU) setting. Their interpretation and usefulness in a clinical context is discussed