Chirality in Bare and Passivated Gold Nanoclusters

Chiral structures have been found as the lowest-energy isomers of bare (Au$_{28}$ and Au$_{55}) and thiol-passivated (Au$_{28}(SCH$_{3})$_{16}$and Au$_{38}(SCH_{3})_{24}) gold nanoclusters. The degree of chirality existing in the chiral clusters was calculated using the Hausdorff chirality measure. We found that the index of chirality is higher in the passivated clusters and decreases with the cluster size. These results are consistent with the observed chiroptical activity recently reported for glutahione-passivated gold nanoclusters, and provide theoretical support for the existence of chirality in these novel compounds.Comment: 5 pages, 1 figure. Submitted to PR

Secondary homotopy groups

Secondary homotopy groups supplement the structure of classical homotopy groups. They yield a track functor on the track category of pointed spaces compatible with fiber sequences, suspensions and loop spaces. They also yield algebraic models of homotopy types with homotopy groups concentrated in two consecutive dimensions.Comment: We added further commets and references to make the paper more easily readabl

Sea Level Changes Affect Seismicity Rates in a Hydrothermal System Near Istanbul

Small stress changes such as those from sea level fluctuations can be large enough to trigger earthquakes. If small and large earthquakes initiate similarly, high-resolution catalogs with low detection thresholds are best suited to illuminate such processes. Below the Sea of Marmara section of the North Anatolian Fault, a segment of urn:x-wiley:00948276:media:grl65397:grl65397-math-0001150 km is late in its seismic cycle. We generated high-resolution seismicity catalogs for a hydrothermal region in the eastern Sea of Marmara employing AI-based and template matching techniques to investigate the link between sea level fluctuations and seismicity over 6 months. All high resolution catalogs show that local seismicity rates are larger during time periods shortly after local minima of sea level, when it is already rising. Local strainmeters indicate that seismicity is promoted when the ratio of differential to areal strain is the largest. The strain changes from sea level variations, on the order of 30–300 nstrain, are sufficient to promote seismicity

Equilibrium, kinetics and breakthrough curves of acetaminophen adsorption onto activated carbons from microwave-assisted FeCl3-activation of lignin

Activated carbons have been prepared by chemical activation of lignin with FeCl3 using microwave (MW) heating. The use of MW significantly reduced the activation time compared to conventional heating. Microwave power, impregnation ratio (R: mass ratio of FeCl3 to lignin precursor) and MW holding time have been studied as variables affecting the development of porous texture. The optimum conditions were found at 800 W, R = 5 and 30 min MW heating time. Under those conditions an essentially microporous activated carbon was obtained, with BET surface area higher than 1150 m2·g−1 and acidic surface, whose pH at the point of zero charge was 4.2. This activated carbon was tested for the adsorption of acetaminophen, as model emerging contaminant, from aqueous phase. The adsorption isotherms, obtained at 20, 40 and 60 °C, fitted well to Redlich–Peterson model. The maximum acetaminophen adsorption reached about 300 mg·g−1 at 60 °C. Values of 35.5 kJ·mol−1 and 238.3 J·mol−1·K−1 were obtained for the enthalpy and entropy of adsorption, respectively. Those positive values are indicative of an endothermic process and increased randomness at the solid/solution interface upon adsorption. The adsorption kinetics was better described by pseudo-second order driving force model. Breakthrough curves were also obtained at different adsorption temperatures, flow rates and acetaminophen inlet concentrations. They fitted well to a logistic-type equation representative of the Bohart-Adams, Thomas and Yoon-Nelson models. Adsorbent regeneration with hot water (80 °C) revealed easy and complete desorption thus providing a promising view of the potential application of this activated carbonThe authors acknowledge the financial support from the State Research Agency (PID2019-106186RB-I00/AEI/10.13039/501100011033, Spain). M. Penas-Garzón thanks Spanish MECD for FPU16/00576 gran

The Second INTEGRAL AGN Catalogue

The INTEGRAL mission provides a large data set for studying the hard X-ray properties of AGN and allows testing of the unified scheme for AGN. We present analysis of INTEGRAL IBIS/ISGRI, JEM-X, and OMC data for 199 AGN supposedly detected by INTEGRAL above 20 keV. The data analysed here allow a significant spectral extraction on 148 objects and an optical variability study of 57 AGN. The slopes of the hard X-ray spectra of Seyfert 1 and Seyfert~2 galaxies are found to be consistent within the uncertainties, whereas higher cut-off energies and lower luminosities are measured for the more absorbed / type 2 AGN. The intermediate Seyfert 1.5 objects exhibit hard X-ray spectra consistent with those of Seyfert 1. When applying a Compton reflection model, the underlying continua appear the same in Seyfert 1 and 2 with photon index 2, and the reflection strength is about R = 1, when assuming different inclination angles. A significant correlation is found between the hard X-ray and optical luminosity and the mass of the central black hole in the sense that the more luminous objects appear to be more massive. There is also a general trend toward the absorbed sources and type 2 AGN having lower Eddington ratios. The black holemass appears to form a fundamental plane together with the optical and X-ray luminosity of the form Lv being proportional to Lx^0.6 M^0.2, similar to that found between radio luminosity Lr, Lx, and M. The unified model for Seyfert galaxies seems to hold, showing in hard X-rays that the central engine is the same in Seyfert 1 and 2, but seen under different inclination angles and absorption. (Abridged)Comment: 26 pages, 16 figures, accepted for publication in A&A. Corrections by language editor included in version

Elemental (im-)miscibility determines phase formation of multinary nanoparticles co-sputtered in ionic liquids

Non-equilibrium synthesis methods allow to alloy bulk-immiscible elements into multinary nanoparticles, which broadens the design space for new materials.Whereas sputtering onto solid substrates can combine immiscible elements into thin film solid solutions, this is not clear for sputtering of nanoparticles in ionicliquids. Thus, the suitability of sputtering in ionic liquids for producing nanoparticles of immiscible elements is investigated by co-sputtering the systems Au-Cu (miscible), Au-Ru and Cu-Ru (both immiscible), and Au-Cu-Ru on the surface of the ionic liquid 1-butyl-3-methylimidazolium bis-trifluoromethylsulfonyl)imide [Bmim][(Tf)2N]. The sputtered nanoparticles were analyzed to obtain (i) knowledge concerning the general formation process ofnanoparticles when sputtering onto ionic liquid surfaces and (ii) information, if alloy nanoparticles of immiscible elements can be synthesized as well as (iii)evidence if the Hume-Rothery rules for solid solubility are valid for sputtered nanoparticles. Accompanying atomistic simulations using density-functional theoryfor clusters of different size and ordering confirm that the miscibility of Au-Cu and the immiscibility of Au-Ru and Cu-Ru govern the thermodynamic stabilityof the nanoparticles. Based on the matching experimental and theoretical results for the NP/IL-systems concerning NP stability, a formation model of multinaryNPs in ILs was developed

Morphosedimentary and phytogeography reconstruction of the middle section of the river Jarama (Madrid, Spain) during the second half of the Holocene.

[Abstract] Two sites located on the alluvial plain of the Jarama River, near Madrid, Spain, have been studied using geological, palynological and xylological techniques. Uniquely for this region, numerous wood subfossils of Alnus and Ulmus have been found together with an strobile of Pinus halepensis. This has allowed the stablishment of a coherent radiocarbon chronology, which demonstrates that these sedimentary environments began to develop during the mid Holocene. The dated sediments, which also contains appreciable amounts of pollen, have been deposited upon older palaeosols which has in turn developed directly on the geological substrate. Palynological analyses of these levels have provided valuable insights into the floristic composition of the communities associated with the different biotopes present in the area. As a result of these multiproxy analyses an interpretation of Holocene landscape history and vegetation dynamics is presente