The Nature of Bond Critical Points in Dinuclear Copper(I) Complexes

Closed-shell contacts between two copper(I) ions are expected to be repulsive. However, such contacts are quite frequent and are well documented. Crystallographic characterization of such contacts in unsupported and bridged multinuclear copper(I) complexes has repeatedly invited debates on the existence of cuprophilicity. Recent developments in the application of Baders theory of atoms-in-molecules (AIM) to systems in which weak hydrogen bonds are involved suggests that the copper(I)copper(I) contacts would benefit from a similar analysis. Thus the nature of electron-density distributions in copper(I) dimers that are unsupported, and those that are bridged, have been examined. A comparison of complexes that are dimers of symmetrical monomers and those that are dimers of two copper(I) monomers with different coordination spheres has also been made. AIM analysis shows that a bond critical point (BCP) between two Cu atoms is present in most cases. The nature of the BCP in terms of the electron density, ?, and its Laplacian is quite similar to the nature of critical points observed in hydrogen bonds in the same systems. The ? is inversely correlated to Cu?Cu distance. It is higher in asymmetrical systems than what is observed in corresponding symmetrical systems. By examining the ratio of the local electron potential-energy density (Vc) to the kinetic energy density (Gc), |Vc|/Gc at the critical point suggests that these interactions are not perfectly ionic but have some shared nature. Thus an analysis of critical points by using AIM theory points to the presence of an attractive metallophilic interaction similar to other well-documented weak interactions like hydrogen bonding.

Evidence for the ``Amphoteric'' Nature of Fluorine in Halogen Bonds: An Instance of Cl center dot center dot center dot F Contact

This study presents unambiguous experimental evidence in support of the highly debated ``halogen bond donor'' character of organic fluorine. Two examples of intermolecular Cl center dot center dot center dot F contacts, with F-atom as halogen bond acceptor and donor, have been analyzed by in situ cryocrystallography and theoretical charge density studies.

Averting biodiversity collapse in tropical forest protected areas

The rapid disruption of tropical forests probably imperils global biodiversity more than any other contemporary phenomenon(1-3). With deforestation advancing quickly, protected areas are increasingly becoming final refuges for threatened species and natural ecosystem processes. However, many protected areas in the tropics are themselves vulnerable to human encroachment and other environmental stresses(4-9). As pressures mount, it is vital to know whether existing reserves can sustain their biodiversity. A critical constraint in addressing this question has been that data describing a broad array of biodiversity groups have been unavailable for a sufficiently large and representative sample of reserves. Here we present a uniquely comprehensive data set on changes over the past 20 to 30 years in 31 functional groups of species and 21 potential drivers of environmental change, for 60 protected areas stratified across the world's major tropical regions. Our analysis reveals great variation in reserve `health': about half of all reserves have been effective or performed passably, but the rest are experiencing an erosion of biodiversity that is often alarmingly widespread taxonomically and functionally. Habitat disruption, hunting and forest-product exploitation were the strongest predictors of declining reserve health. Crucially, environmental changes immediately outside reserves seemed nearly as important as those inside in determining their ecological fate, with changes inside reserves strongly mirroring those occurring around them. These findings suggest that tropical protected areas are often intimately linked ecologically to their surrounding habitats, and that a failure to stem broad-scale loss and degradation of such habitats could sharply increase the likelihood of serious biodiversity declines.

Magnetocaloric effect and nature of magnetic transition in nanoscale Pr0.5Ca0.5MnO3

Systematic measurements pertinent to the magnetocaloric effect and nature of magnetic transition around the transition temperature are performed in the 10 nm Pr0.5Ca0.5MnO3 nanoparticles (PCMO10). Maxwell's relation is employed to estimate the change in magnetic entropy. At Curie temperature (T-C) similar to 83.5 K, the change in magnetic entropy (-Delta S-M) discloses a typical variation with a value 0.57 J/kg K, and is found to be magnetic field dependent. From the area under the curve (Delta S vs T), the refrigeration capacity is calculated at T-C similar to 83.5K and it is found to be 7.01 J/kg. Arrott plots infer that due to the competition between the ferromagnetic and anti-ferromagnetic interactions, the magnetic phase transition in PCMO10 is broadly spread over both in temperature as well as magnetic field coordinates. Upon tuning the particle size, size distribution, morphology, and relative fraction of magnetic phases, it may be possible to enhance the magnetocalorific effect further in PCMO10. (C) 2012 American Institute of Physics. http://dx.doi.org/10.1063/1.4759372]

Nature of Quiet Sun Oscillations Using Data from the Hinode, TRACE, and SOHO Spacecraft

We study the nature of quiet-Sun oscillations using multi-wavelength observations from TRACE, Hinode, and SOHO. The aim is to investigate the existence of propagating waves in the solar chromosphere and the transition region by analyzing the statistical distribution of power in different locations, e.g. in bright magnetic (network), bright non-magnetic and dark non-magnetic (inter-network) regions, separately. We use Fourier power and phase-difference techniques combined with a wavelet analysis. Two-dimensional Fourier power maps were constructed in the period bands 2 -aEuro parts per thousand 4 minutes, 4 -aEuro parts per thousand 6 minutes, 6 -aEuro parts per thousand 15 minutes, and beyond 15 minutes. We detect the presence of long-period oscillations with periods between 15 and 30 minutes in bright magnetic regions. These oscillations were detected from the chromosphere to the transition region. The Fourier power maps show that short-period powers are mainly concentrated in dark regions whereas long-period powers are concentrated in bright magnetic regions. This is the first report of long-period waves in quiet-Sun network regions. We suggest that the observed propagating oscillations are due to magnetoacoustic waves, which can be important for the heating of the solar atmosphere.

Influence of nature of support on the catalytic activity of supported molybdenum-oxo species in benzyl alcohol conversion

Supported catalysts containing 15 wt.% of molybdenum have been prepared by the incipient wetness impregnation method. CaO, MgO, Al2O3, Zr(OH)4 and Al(OH)3 have been used as supports for the preparation of supported Mo catalysts. Characterisation of all the materials prepared has been carried out through BET surface area measurement, X-ray diffractometry and FT-IR spectroscopy. Catalytic activity measurements have been carried out with reference to structure-sensitive benzyl alcohol conversion in the liquid phase. The percentage conversion of benzyl alcohol to benzaldehyde and toluene varied over a large range depending on the support used for the preparation of catalysts, indicating the importance of the support on catalytic activity of Mo catalysts. Al(OH)3 has been found to be the best support for molybdenum among all the supports used. Support–metal interaction (SMI) has been found to play an important role in determining the catalytic activity of supported catalysts.

Predictability and chaotic nature of daily streamflow

The predictability of a chaotic series is limited to a few future time steps due to its sensitivity to initial conditions and the exponential divergence of the trajectories. Over the years, streamflow has been considered as a stochastic system in many approaches. In this study, the chaotic nature of daily streamflow is investigated using autocorrelation function, Fourier spectrum, correlation dimension method (Grassberger-Procaccia algorithm) and false nearest neighbor method. Embedding dimensions of 6-7 obtained indicates the possible presence of low-dimensional chaotic behavior. The predictability of the system is estimated by calculating the system’s Lyapunov exponent. A positive maximum Lyapunov exponent of 0.167 indicates that the system is chaotic and unstable with a maximum predictability of only 6 days. These results give a positive indication towards considering streamflow as a low dimensional chaotic system than as a stochastic system.

Probing the indefinite CP nature of the Higgs boson through decay distributions in the process e(+)e(-) -> t(t)over-bar Phi

The recently discovered scalar resonance at the Large Hadron Collider is now almost confirmed to be a Higgs boson, whose CP properties are yet to be established. At the International Linear Collider with and without polarized beams, it may be possible to probe these properties at high precision. In this work, we study the possibility of probing departures from the pure CP-even case, by using the decay distributions in the process e(+)e(-) -> t (t) over bar Phi, with Phi mainly decaying into a b (b) over bar pair. We have compared the case of a minimal extension of the Standard Model case (model I) with an additional pseudoscalar degree of freedom, with a more realistic case namely the CP-violating two-Higgs doublet model (model II) that permits a more general description of the couplings. We have considered the International Linear Collider with root s = 800 GeV and integrated luminosity of 300 fb(-1). Our main findings are that even in the case of small departures from the CP-even case, the decay distributions are sensitive to the presence of a CP-odd component in model II, while it is difficult to probe these departures in model I unless the pseudoscalar component is very large. Noting that the proposed degrees of beam polarization increase the statistics, the process demonstrates the effective role of beam polarization in studies beyond the Standard Model. Further, our study shows that an indefinite CP Higgs would be a sensitive laboratory to physics beyond the Standard Model.

Costs and benefits of the presence of leopards to the sport-hunting industry and local communities in Niassa national reserve, mozambique

Sport hunting is often proposed as a tool to support the conservation of large carnivores. However, it is challenging to provide tangible economic benefits from this activity as an incentive for local people to conserve carnivores. We assessed economic gains from sport hunting and poaching of leopards (Panthera pardus), costs of leopard depredation of livestock, and attitudes of people toward leopards in Niassa National Reserve, Mozambique. We sent questionnaires to hunting concessionaires (n = 8) to investigate the economic value of and the relative importance of leopards relative to other key trophy-hunted species. We asked villagers (n = 158) the number of and prices for leopards poached in the reserve and the number of goats depredated by leopard. Leopards were the mainstay of the hunting industry; a single animal was worth approximately U.S.$24,000. Most safari revenues are retained at national and international levels, but poached leopard are illegally traded locally for small amounts ($83). Leopards depredated 11 goats over 2 years in 2 of 4 surveyed villages resulting in losses of $440 to 6 households. People in these households had negative attitudes toward leopards. Although leopard sport hunting generates larger gross revenues than poaching, illegal hunting provides higher economic benefits for households involved in the activity. Sport-hunting revenues did not compensate for the economic losses of livestock at the household level. On the basis of our results, we propose that poaching be reduced by increasing the costs of apprehension and that the economic benefits from leopard sport hunting be used to improve community livelihoods and provide incentives not to poach.

Predictability and chaotic nature of daily streamflow

The predictability of a chaotic series is limited to a few future time steps due to its sensitivity to initial conditions and the exponential divergence of the trajectories. Over the years, streamflow has been considered as a stochastic system in many approaches. In this study, the chaotic nature of daily streamflow is investigated using autocorrelation function, Fourier spectrum, correlation dimension method (Grassberger-Procaccia algorithm) and false nearest neighbor method. Embedding dimensions of 6-7 obtained indicates the possible presence of low-dimensional chaotic behavior. The predictability of the system is estimated by calculating the system's Lyapunov exponent. A positive maximum Lyapunov exponent of 0.167 indicates that the system is chaotic and unstable with a maximum predictability of only 6 days. These results give a positive indication towards considering streamflow as a low dimensional chaotic system than as a stochastic system.

On the nature of meandering of the springtime western boundary current in the Bay of Bengal

We present evidence that the springtime western boundary current (WBC) in the Bay of Bengal is a continuous northward-flowing current from about 12 degrees N to 17 degrees N, which then separates from the coast at around 18 degrees N. We first revisit a hydrographic data set collected in 1987 from a potential vorticity perspective, and then analyze absolute dynamic height maps from satellite altimeters during the period 2000-2010. The altimetric maps suggest that the mean configuration of the WBC is that of an intense current with two anticyclonic eddies on the offshore side, which are part of the basin-wide anticyclonic circulation. The WBC consistently separates from the coast at around 18 degrees N in all years between 2000 and 2010. The path of the eastward-flowing mean stream after separation appears to be consistent with isolines of f/H and with Ertel's potential vorticity, based on an analysis of the hydrographic data from 1987.

A Donor-Acceptor-Donor Structured Organic Conductor with S center dot center dot center dot S Chalcogen Bonding

A novel thiophene derivative 7,9-di(thiophen-2-yl)-8H-cyclopentaa]acenaphthylen-8-one (DTCPA) is shown to exhibit high electrical conductivity (1.97 x 10(-2) +/- 0.0018 S/cm at RT) in the crystalline state. The material shows two orders of increase in conductivity from normal solid to single crystalline state. The crystal structure has S center dot center dot center dot S chalcogen bonding, C-H center dot center dot center dot O hydrogen bonding, and pi center dot center dot center dot pi stacking as the major intermolecular interactions. The nature and strength of the S center dot center dot center dot S interactions in this structure have been evaluated by theoretical charge density analysis, and its contribution to the crystal packing quantified by Hirshfeld surface analysis. Further, thermal and morphological characterizations have been carried out, and the second harmonic generation (SHG) efficiency has been measured using the Kurtz-Perry method.

Cooperative Communication of UAV to Perform Multi-task Using Nature Inspired Techniques

In this paper, the approach for assigning cooperative communication of Uninhabited Aerial Vehicles (UAV) to perform multiple tasks on multiple targets is posed as a combinatorial optimization problem. The multiple task such as classification, attack and verification of target using UAV is employed using nature inspired techniques such as Artificial Immune System (AIS), Particle Swarm Optimization (PSO) and Virtual Bee Algorithm (VBA). The nature inspired techniques have an advantage over classical combinatorial optimization methods like prohibitive computational complexity to solve this NP-hard problem. Using the algorithms we find the best sequence in which to attack and destroy the targets while minimizing the total distance traveled or the maximum distance traveled by an UAV. The performance analysis of the UAV to classify, attack and verify the target is evaluated using AIS, PSO and VBA.

Nature of the effective interaction between dendrimers

We have performed fully atomistic classical molecular dynamics simulations to calculate the effective interaction between two polyamidoamine dendrimers. Using the umbrella sampling technique, we have obtained the potential of mean force (PMF) between the dendrimers and investigated the effects of protonation level and dendrimer size on the PMF. Our results show that the interaction between the dendrimers can be tuned from purely repulsive to partly attractive by changing the protonation level. The PMF profiles are well-fitted by the sum of an exponential and a Gaussian function with the weight of the exponential function dominating over that of the Gaussian function. This observation is in disagreement with the results obtained in previous analytic C. Likos, M. Schmidt, H. Lowen, M. Ballauff, D. Potschke, and P. Lindner, Macromolecules 34, 2914 (2001)] and coarse-grained simulation I. Gotze, H. Harreis, and C. Likos, J. Chem. Phys. 120, 7761 (2004)] studies which predicted the effective interaction to be Gaussian. (C) 2014 AIP Publishing LLC.

Solving Dynamic Constraint Single Objective Functions using a Nature Inspired Technique

We present in this paper a new algorithm based on Particle Swarm Optimization (PSO) for solving Dynamic Single Objective Constrained Optimization (DCOP) problems. We have modified several different parameters of the original particle swarm optimization algorithm by introducing new types of particles for local search and to detect changes in the search space. The algorithm is tested with a known benchmark set and compare with the results with other contemporary works. We demonstrate the convergence properties by using convergence graphs and also the illustrate the changes in the current benchmark problems for more realistic correspondence to practical real world problems.