Study of translational and rotational mobility and orientational preference of ethane in one-dimensional channels

Structural and dynamical properties of ethane in one-dimensional channels of AlPO4-5 and carbon nanotube have been investigated at dilute concentration with the help of molecular dynamics simulation. Density distributions and orientational structure of ethane have been analyzed. Repulsive interactions seem to play an important role when ethane is located in the narrow part of the AlPO4-5 channel. In AlPO4-5, parallel orientation is predominant over perpendicular orientation except when ethane is located in the broader part of the channel. Unlike in the case of single-file diffusion, our results in carbon nanotube show that at dilute concentrations the mean squared displacement, mu(2)(t) approximate to t(alpha), alpha = 1.8. The autocorrelation function for the z-component of angular velocity of ethane in space-fixed frame of reference shows a pronounced negative correlation. This is attributed to the restriction in the movement of ethane along the x- and y- directions. It is seen that the ratio of reorientational correlation times does not follow the Debye model for confined ethane but it is closer to the predictions of the Debye model for bulk ethane.

Biofuel production and implications for land use, food production and environment in India

There is a large interest in biofuels in India as a substitute to petroleum-based fuels, with a purpose of enhancing energy security and promoting rural development. India has announced an ambitious target of substituting 20% of fossil fuel consumption by biodiesel and bioethanol by 2017. India has announced a national biofuel policy and launched a large program to promote biofuel production, particularly on wastelands: its implications need to be studied intensively considering the fact that India is a large developing country with high population density and large rural population depending upon land for their livelihood. Another factor is that Indian economy is experiencing high growth rate, which may lead to enhanced demand for food, livestock products, timber, paper, etc., with implications for land use. Studies have shown that area under agriculture and forest has nearly stabilized over the past 2-3 decades. This paper presents an assessment of the implications of projected large-scale biofuel production on land available for food production, water, biodiversity, rural development and GHG emissions. The assessment will be largely focused on first generation biofuel crops, since the Indian program is currently dominated by these crops. Technological and policy options required for promoting sustainable biofuel production will be discussed. (C) 2010 Elsevier Ltd. All rights reserved.

Polymorphism and tautomeric preference in fenobam and the utility of NLO response to detect polymorphic impurities

Crystal structures of polymorphs and solvatomorphs of the potential anxiolytic drug fenobam exhibit an exclusive preference for one of the two possible tautomeric structures. A novel methodology based on nonlinear optical response has been successfully employed to detect the presence of a polymorphic impurity in a mixture of polymorphs.

How general is a female mating preference for clustered males in lekking species? a meta-analysis

A principal hypothesis for the evolution of leks (rare and intensely competitive territorial aggregations) is that leks result from females preferring to mate with clustered males. This hypothesis predicts more female visits and higher mating success per male on larger leks. Evidence for and against this hypothesis has been presented by different studies, primarily of individual populations, but its generality has not yet been formally investigated. We took a meta-analytical approach towards formally examining the generality of such a female bias in lekking species. Using available published data and using female visits as an index of female mating bias, we estimated the shape of the relationship between lek size and total female visits to a lek, female visits per lekking male and, where available, per capita male mating success. Individual analyses showed that female visits generally increased with lek size across the majority of taxa surveyed; the meta-analysis indicated that this relationship with lek size was disproportionately positive. The findings from analysing per capita female visits were mixed, with an increase with lek size detected in half of the species, which were, however, widely distributed taxonomically. Taken together, these findings suggest that a female bias for clustered males may be a general process across lekking species. Nevertheless, the substantial variation seen in these relationships implies that other processes are also important. Analyses of per capita copulation success suggested that, more generally, increased per capita mating benefits may be an important selective factor in lek maintenance.

Scalable Preference Aggregation in Social Networks

In social choice theory, preference aggregation refers to computing an aggregate preference over a set of alternatives given individual preferences of all the agents. In real-world scenarios, it may not be feasible to gather preferences from all the agents. Moreover, determining the aggregate preference is computationally intensive. In this paper, we show that the aggregate preference of the agents in a social network can be computed efficiently and with sufficient accuracy using preferences elicited from a small subset of critical nodes in the network. Our methodology uses a model developed based on real-world data obtained using a survey on human subjects, and exploits network structure and homophily of relationships. Our approach guarantees good performance for aggregation rules that satisfy a property which we call expected weak insensitivity. We demonstrate empirically that many practically relevant aggregation rules satisfy this property. We also show that two natural objective functions in this context satisfy certain properties, which makes our methodology attractive for scalable preference aggregation over large scale social networks. We conclude that our approach is superior to random polling while aggregating preferences related to individualistic metrics, whereas random polling is acceptable in the case of social metrics.

How much land-based greenhouse gas mitigation can be achieved without compromising food security and environmental goals?

Feeding 9-10billion people by 2050 and preventing dangerous climate change are two of the greatest challenges facing humanity. Both challenges must be met while reducing the impact of land management on ecosystem services that deliver vital goods and services, and support human health and well-being. Few studies to date have considered the interactions between these challenges. In this study we briefly outline the challenges, review the supply- and demand-side climate mitigation potential available in the Agriculture, Forestry and Other Land Use AFOLU sector and options for delivering food security. We briefly outline some of the synergies and trade-offs afforded by mitigation practices, before presenting an assessment of the mitigation potential possible in the AFOLU sector under possible future scenarios in which demand-side measures codeliver to aid food security. We conclude that while supply-side mitigation measures, such as changes in land management, might either enhance or negatively impact food security, demand-side mitigation measures, such as reduced waste or demand for livestock products, should benefit both food security and greenhouse gas (GHG) mitigation. Demand-side measures offer a greater potential (1.5-15.6Gt CO2-eq. yr(-1)) in meeting both challenges than do supply-side measures (1.5-4.3Gt CO2-eq. yr(-1) at carbon prices between 20 and 100US$ tCO(2)-eq. yr(-1)), but given the enormity of challenges, all options need to be considered. Supply-side measures should be implemented immediately, focussing on those that allow the production of more agricultural product per unit of input. For demand-side measures, given the difficulties in their implementation and lag in their effectiveness, policy should be introduced quickly, and should aim to codeliver to other policy agenda, such as improving environmental quality or improving dietary health. These problems facing humanity in the 21st Century are extremely challenging, and policy that addresses multiple objectives is required now more than ever.

Flexibility in Food Extraction Techniques in Urban Free-Ranging Bonnet Macaques, Macaca radiata

Non-human primate populations, other than responding appropriately to naturally occurring challenges, also need to cope with anthropogenic factors such as environmental pollution, resource depletion, and habitat destruction. Populations and individuals are likely to show considerable variations in food extraction abilities, with some populations and individuals more efficient than others at exploiting a set of resources. In this study, we examined among urban free-ranging bonnet macaques, Macaca radiata (a) local differences in food extraction abilities, (b) between-individual variation and within-individual consistency in problem-solving success and the underlying problem-solving characteristics, and (c) behavioral patterns associated with higher efficiency in food extraction. When presented with novel food extraction tasks, the urban macaques having more frequent exposure to novel physical objects in their surroundings, extracted food material from PET bottles and also solved another food extraction task (i.e., extracting an orange from a wire mesh box), more often than those living under more natural conditions. Adults solved the tasks more frequently than juveniles, and females more frequently than males. Both solution-technique and problem-solving characteristics varied across individuals but remained consistent within each individual across the successive presentations of PET bottles. The macaques that solved the tasks showed lesser within-individual variation in their food extraction behavior as compared to those that failed to solve the tasks. A few macaques appropriately modified their problem-solving behavior in accordance with the task requirements and solved the modified versions of the tasks without trial-and-error learning. These observations are ecologically relevant - they demonstrate considerable local differences in food extraction abilities, between-individual variation and within-individual consistency in food extraction techniques among free-ranging bonnet macaques, possibly affecting the species' local adaptability and resilience to environmental changes.

Triarylborane-dipyrromethane conjugates bearing dual receptor sites: the synthesis and evaluation of the anion binding site preference

The synthesis and optical properties of four new triarylborane-dipyrromethane (TAB-DPM) conjugates (3a-d) containing dual binding sites (hydrogen bond donor and Lewis acid) have been reported. The new compounds exhibit a selective fluorogenic response towards the F-ion. The NMR titrations show that the anions bind to the TAB-DPM conjugates via the Lewis acidic triarylborane centre in preference to the hydrogen bond donor (dipyrromethane) units.

Division of Labor in Hand Usage in Free- Ranging Bonnet Macaques, Macaca radiata

Primates exhibit laterality in hand usage either in terms of (a) hand with which an individual solves a task or while solving a task that requires both hands, executes the most complex action, that is, hand preference, or (b) hand with which an individual executes actions most efficiently, that is, hand performance. Observations from previous studies indicate that laterality in hand usage might reflect specialization of the two hands for accomplishing tasks that require maneuvering dexterity or physical strength. However, no existing study has investigated handedness with regard to this possibility. In this study, we examined laterality in hand usage in urban free-ranging bonnet macaques, Macaca radiata with regard to the above possibility. While solving four distinct food extraction tasks which varied in the number of steps involved in the food extraction process and the dexterity required in executing the individual steps, the macaques consistently used one hand for extracting food (i.e., task requiring maneuvering dexterity)the maneuvering hand, and the other hand for supporting the body (i.e., task requiring physical strength)the supporting hand. Analogously, the macaques used the maneuvering hand for the spontaneous routine activities that involved maneuvering in three-dimensional space, such as grooming, and hitting an opponent during an agonistic interaction, and the supporting hand for those that required physical strength, such as pulling the body up while climbing. Moreover, while solving a task that ergonomically forced the usage of a particular hand, the macaques extracted food faster with the maneuvering hand as compared to the supporting hand, demonstrating the higher maneuvering dexterity of the maneuvering hand. As opposed to the conventional ideas of handedness in non-human primates, these observations demonstrate division of labor between the two hands marked by their consistent usage across spontaneous and experimental tasks requiring maneuvering in three-dimensional space or those requiring physical strength. Am. J. Primatol. 76:576-585, 2014. (c) 2013 Wiley Periodicals, Inc.

Keystone food resources for honey bees in South Indian west coast during monsoon

The low level, denuded, laterite landscape of coastal Uttara Kannada has a rich diversity of monsoon herbs, including threatened and newly discovered ones. Our study reveals that honey bees congregate on the ephemeral herb community of Utricularias, Eriocaulons and Impatiens during their gregarious monsoon flowering period. Apis dorsata had highest visitations on Utricularias, Impatiens and Flacourtia indica, whereas Trigona preferred Eriocaulons. Laterite herb flora merits conservation efforts as a keystone food resource for the insect community, especially for honey bees.

Tautomeric Preference and Conformation Locking in Fenobam, Thiofenobam, and Their Analogues: The Decisive Role of Hydrogen Bond Hierarchy

The crystal and molecular structures of the potential antidepressant drug fenobam and its derivatives are examined in terms of the preferred form among the two possible tautomeric structures. In this study, chemical derivatization has been utilized as a means to ``experimentally simulate'' the tautomeric preference and conformational variability in fenobam. Eight new derivatives of fenobam have been synthesized, and structural features have been characterized by single-crystal X-ray diffraction and NMR spectroscopy. The specific tautomeric preference found in all of these compounds and their known crystal forms have been construed in terms of the stabilizing intramolecular N-H center dot center dot center dot O and N-H center dot center dot center dot S hydrogen bonding. The hierarchy of intramolecular hydrogen bonds evidenced as the preference of the C-H center dot center dot center dot O hydrogen bond over C-H center dot center dot center dot N and that of the C-H center dot center dot center dot N hydrogen bond over C-H center dot center dot center dot S explains the two distinct conformations adopted by fenobam and thiofenobam derivatives. The relative energy values of different molecular conformations have been calculated and compared.

First principles study of structural stability and site preference in Co-3 (W,X)

Since the discovery 1] of gamma' precipitate (L1(2) - Co-3 (Al, W)) in the Co-Al-W ternary system, there has been an increased interest in Co-based superalloys. Since these alloys have two phase microstructures (gamma + gamma') similar to Ni-based superalloys 2], they are viable candidates in high temperature applications, particularly in land-based turbines. The role of alloying on stability of the gamma' phase has been an active area of research. In this study, electronic structure calculations were done to probe the effect of alloying in Co3W with L1(2) structure. Compositions of type Co-3(W, X), (where X/Y = Mn, Fe, Ni, Pt, Cr, Al, Si, V, W, Ta, Ti, Nb, Hf, Zr and Mo) were studied. Effect of alloying on equilibrium lattice parameters and ground state energies was used to calculate Vegard's coefficients and site preference related data. The effect of alloying on the stability of the L1(2) structure vis a vis other geometrically close packed ordered structures was also studied for a range of Co3X compounds. Results suggest that the penchant of element for the W sublattice can be predicted by comparing heats of formation of Co3X in different structures.

BIOMASS GASIFICATION TO SUBSTITUTE FOSSIL FUEL IN FOOD INDUSTRY

Food industries like biscuit and confectionary use significant amount of fossil fuel for thermal energy. Biscuit manufacturing in India is carried out both by organized and unorganized sector. The ratio of organized to unorganized sector is 60 : 40 (1). The total biscuit manufacturing in the organized sector India in 2008 was about 1.7 million metric tons (1). Accounting for the unorganized sector in India, the total biscuit manufacturing would have been about 2.9 million metric tons/annum. A typical biscuit baking is carried in a long tunnel kiln with varying temperature in different zones. Generally diesel is used to provide the necessary heat energy for the baking purpose, with temperature ranging from 190 C in the drying zone to about 300 C in the baking area and has to maintain in the temperature range of +/- 5 C. Typical oil consumption is about 40 litres per ton of biscuit production. The paper discusses the experience in substituting about 120 lts per hour kiln for manufacturing about 70 tons of biscuit daily. The system configuration consists of a 500 kg/hr gasification system comprising of a reactor, multicyclone, water scrubbers, and two blowers for maintaining the constant gas pressure in the header before the burners. Cold producer gas is piped to the oven located about 200 meters away from the gasifier. Fuel used in the gasification system is coconut shells. All the control system existing on the diesel burner has been suitably adapted for producer gas operation to maintain the total flow, A/F control so as to maintain the temperature. A total of 7 burners are used in different zones. Over 17000 hour of operation has resulted in replacing over 1800 tons of diesel over the last 30 months. The system operates for over 6 days a week with average operational hours of 160. It has been found that on an average 3.5 kg of biomass has replaced one liter of diesel.