Mechanical properties of carbynes investigated by ab initio total-energy calculations

As sp carbon chains (carbynes) are relatively rigid molecular objects, can we exploit them as construction elements in nanomechanics? To answer this question, we investigate their remarkable mechanical properties by ab-initio total-energy simulations. In particular, we evaluate their linear response to small longitudinal and bending deformations and their failure limits for longitudinal compression and elongation.Comment: 6 pages, 4 figures, 1 tabl

Modelling the kinetics of elements release from a zeolitic-rich tuff

The present investigation aims at modeling the kinetics of elements (Fe, Mg, K, Ca, Na, Al, and Si) release from zeolitic-rich Phlegraean Yellow Tuff weathered by tannic acid solutions at different concentration. Three equations were tested—power function, the Weber–Morris model, and the Elovich equation. Power function was revealed to be an excellent empirical equation well fitted to the experimental data. Its numerical parameters were suitable predictive tools, highlighting both the intensity and modality of weathering processes. By paralleling the dissolution rates, it was possible to allow rock-sources from which elements were released during three distinct weathering stages—(i) the first stage was dominated by biotite and amorphous weathering, (ii) the second stage also started with the breakdown of zeolite framework; and (iii) in the third stage, the whole of weathering/release process approached a steady state. Finally, these outcomes may be used to forecast the pedogenic/nutritional potential of zeolitic-rich tuffs as pedotechnical matrices in restoration design

Some remarks on the chemical potential of a system in an external field

The chemical potential change provides a criterion for predicting the spontaneity of any physical and chemical process. If asked to calculate the chemical potential change of a system in which several forces vary, a student might find the task quite complicate at first glance. However, the chemical potential is a state function. This property permits a precise definition of the contribution of each force to the chemical potential when all other relevant parameters are kept constant. The total chemical potential change can easily be calculated by summing up the above contributions. After a brief review of the role played by some parameters of the system, like activity (a) of the components, temperature (T), pressure (p) and surface tension (gamma), as well as of external fields, i.e. gravitational (Mgh), centrifugal (Mcp) and electric field (Fz(i) Phi), an equation for the computation of the chemical potential (mu) including all the above contributes is reported:-, where refers not only to p = p degrees = 1 bar but also to a chosen value of T, h, rho, Phi and r. Finally, applicative examples are illustrated.The chemical potential change provides a criterion for predicting the spontaneity of any physical and chemical process. If asked to calculate the chemical potential change of a system in which several forces vary, a student might find the task quite complicate at first glance. However, the chemical potential is a state function. This property permits a precise definition of the contribution of each force to the chemical potential when all other relevant parameters are kept constant. The total chemical potential change can easily be calculated by summing up the above contributions. After a brief review of the role played by some parameters of the system, like activity ( of the components, temperature (T), pressure (p) and surface tension (), as well as of external fields, i.e. gravitational (ℎ, centrifugal () and electric field (Φ), an equation for the computation of the chemical potential (µ) including all the above contributes is reported: °′ ° ° ℎ Φ 2 , where ° refers not only to p = p° =1 bar but also to a chosen value of T, h, ρ, Φ and r. Finally, applicative examples are illustrated

Sorption of Metaldehyde using granular activated carbon

In this work the ability of granular activated carbon (GAC) to sorb metaldehyde was evaluated. The kinetic data could be described by an intra-particle diffusion model which indicated that the porosity of the sorbent strongly influenced the rate of sorption. The analysis of the equilibrium sorption data revealed that ionic strength and temperature did not play any significant role in the metaldehyde uptake. The sorption isotherms were successfully predicted by the Freundlich model. The GAC used in this paper exhibited a higher affinity and sorption capacity for metaldehyde with respect to other GACs studied in previous works, probably as a result of its higher specific surface area

Diclofenac sorption from synthetic water: Kinetic and thermodynamic analysis

This work investigated diclofenac sorption on 0.5g L-1 activated carbon in a range of temperature (288-318K) and of initial sorbate concentration (24-218mgL-1). Thermodynamic modelling was carried out with the Langmuir isotherm. For kinetic modelling we compared the so-called Diffusion-Controlled Langmuir Kinetics (DCLK) and the pseudo-second order (PSO) model. The maximum sorption capacity of the sorbent, equal to 180mgg-1, was independent of temperature. Experimental data fitted well with both kinetic models, yet the DCLK model was found to be more informative about the mechanism of the process. Kinetic parameters (α, β) increased with the temperature, with α value rising from 5×10-5 to 20×10-5 L mg-1min-0.5, and β value rising from 3×10-6 to 20×10-6 L mg-1min-1 in the temperature range investigated

Quantized vortices in two dimensional solid 4He

Diagonal and off-diagonal properties of 2D solid 4He systems doped with a quantized vortex have been investigated via the Shadow Path Integral Ground State method using the fixed-phase approach. The chosen approximate phase induces the standard Onsager-Feynman flow field. In this approximation the vortex acts as a static external potential and the resulting Hamiltonian can be treated exactly with Quantum Monte Carlo methods. The vortex core is found to sit in an interstitial site and a very weak relaxation of the lattice positions away from the vortex core position has been observed. Also other properties like Bragg peaks in the static structure factor or the behavior of vacancies are very little affected by the presence of the vortex. We have computed also the one-body density matrix in perfect and defected 4He crystals finding that the vortex has no sensible effect on the off-diagonal long range tail of the density matrix. Within the assumed Onsager Feynman phase, we find that a quantized vortex cannot auto-sustain itself unless a condensate is already present like when dislocations are present. It remains to be investigated if backflow can change this conclusion.Comment: 4 pages, 3 figures, LT26 proceedings, accepted for publication in Journal of Physics: Conference Serie

Quasars as standard candles II

A tight non-linear relation between the X-ray and the optical-ultraviolet (UV) emission has been observed in active galactic nuclei (AGN) over a wide range of redshift and several orders of magnitude in luminosity, suggesting the existence of an ubiquitous physical mechanism regulating the energy transfer between the accretion disc and the X-ray emitting corona. Recently, our group developed a method to use this relation in observational cosmology, turning quasars into standardizable candles. This work mainly seeks to investigate the potential evolution of this correction at high redshifts. We thus studied the LX − LUV relation for a sample of quasars in the redshift range 4 <  z <  7, adopting the selection criteria proposed in our previous work regarding their spectral properties. The resulting sample consists of 53 type 1 (unobscured) quasars, observed either with Chandra or XMM-Newton, for which we performed a full spectral analysis, determining the rest-frame 2 keV flux density, as well as more general X-ray properties such as the estimate of photon index, and the soft (0.5–2 keV) and hard (2–10 keV) unabsorbed luminosities. We find that the relation shows no evidence for evolution with redshift. The intrinsic dispersion of the LX–LUV for a sample free of systematics/contaminants is of the order of 0.22 dex, which is consistent with previous estimates from our group on quasars at lower redshift

PGE2-Induced IDO1 Inhibits the Capacity of Fully Mature DCs to Elicit an In Vitro Antileukemic Immune Response.

In the last years, dendritic cells (DC) have been evaluated for antitumor vaccination. Although DC-based vaccines have raised great expectations, their clinical translation has been largely disappointing. For these results, several explanations have been proposed. In particular, the concomitant expression by DCs of tolerogenic pathways, such as the immunosuppressive agent indoleamine 2,3-dioxygenase-1 (IDO1), has been demonstrated. The aim of this study is to evaluate both the stimulatory and the tolerogenic feature of monocyte-derived DCs (Mo-DCs) after maturation with PGE2. In particular, the role of IDO1 expression in PGE2-matured Mo-DCs has been addressed. Here we show that PGE2, which is required for full maturation of DCs, is one mediator of DC tolerance by enhancing IDO1. PGE2-mediated expression of IDO1 results in the production of kynurenine, in the generation of Tregs, and in the inhibition of either the allogeneic or the autologous antigen-specific stimulatory capacity of DCs. When pulsed with leukemic lysates and matured with PGE2, DCs are impaired in the induction of IFN-γ secreting CD4(+) and CD8(+) T cells due to IDO1 upregulation. Moreover, the inhibition of IDO1 enhances the antileukemic response. Overall, these results point toward the use of IDO1 inhibitors to enhance the vaccination capacity of DCs, matured with PGE2

The molecular gas properties in local Seyfert 2 galaxies

Aims. We present a multiwavelength study of the molecular gas properties of a sample of local Seyfert 2 galaxies to assess if, and to what extent, the presence of an active galactic nucleus (AGN) can affect the interstellar medium (ISM) properties in a sample of 33 local Seyfert 2 galaxies. Methods. We compare the molecular gas content (MH2) derived from new and archival low-J CO line measurements of a sample of AGN and a control sample of star-forming galaxies (SFGs). Both the AGN and the control sample are characterized in terms of host-galaxy properties, for example stellar and dust masses (M* and Mdust, respectively) and the star formation rate (SFR). We also investigate the effect of AGN activity on the emission of polycyclic aromatic hydrocarbon (PAH) molecules in the mid-infrared (MIR), a waveband where the dust-reprocessed emission from the obscured AGN contributes the most. Result. The AGN hosted in less massive galaxies (i.e., M* &lt; 1010.5 M⊙; Mdust &lt; 107.5 M⊙) show larger molecular gas contents with respect to SFGs that have the same stellar and dust masses. When comparing their depletion times (tdep ≈ MH2/SFR), AGN show tdep ∼ 0.3-1.0 Gyr, similar to the times observed in the control sample of SFGs. Seyfert 2 galaxies show fainter PAH luminosity the larger the dominance of the nuclear activity in the MIR. Conclusions. We find no clear evidence for a systematic reduction in the molecular gas reservoir at galactic scales in Seyfert galaxies with respect to SFGs. This is in agreement with recent studies that show that molecular gas content is only reduced in sub-kiloparsec-sized regions, where emission from the accreting supermassive black hole dominates. Nonetheless, we show that the impact of AGN activity on the ISM is clearly visible as a suppression of the PAH luminosity

The SOCS3-independent expression of IDO2 supports the homeostatic generation of T regulatory cells by human dendritic cells.

Dendritic cells (DCs) are professional APCs that have a role in the initiation of adaptive immune responses and tolerance. Among the tolerogenic mechanisms, the expression of the enzyme IDO1 represents an effective tool to generate T regulatory cells. In humans, different DC subsets express IDO1, but less is known about the IDO1-related enzyme IDO2. In this study, we found a different pattern of expression and regulation between IDO1 and IDO2 in human circulating DCs. At the protein level, IDO1 is expressed only in circulating myeloid DCs (mDCs) and is modulated by PGE2, whereas IDO2 is expressed in both mDCs and plasmacytoid DCs and is not modulated by PGE2. In healthy subjects, IDO1 expression requires the presence of PGE2 and needs continuous transcription and translation, whereas IDO2 expression is constitutive, independent from suppressor of cytokine signaling 3 activity. Conversely, in patients suffering from inflammatory arthritis, circulating DCs express both IDO1 and IDO2. At the functional level, both mDCs and plasmacytoid DCs generate T regulatory cells through an IDO1/IDO2-dependent mechanism. We conclude that, in humans, whereas IDO1 provides an additional mechanism of tolerance induced by proinflammatory mediators, IDO2 is stably expressed in steady-state conditions and may contribute to the homeostatic tolerogenic capacity of DCs