Hydrogen bonding, halogen bonding and lithium bonding: an atoms in molecules and natural bond orbital perspective towards conservation of total bond order, inter- and intra-molecular bonding

One hundred complexes have been investigated exhibiting D-X center dot center dot center dot A interactions, where X = H, Cl or Li and DX is the `X bond' donor and A is the acceptor. The optimized structures of all these complexes have been used to propose a generalized `Legon-Millen rule' for the angular geometry in all these interactions. A detailed Atoms in Molecules (AIM) theoretical analysis confirms an important conclusion, known in the literature: there is a strong correlation between the electron density at the X center dot center dot center dot A bond critical point (BCP) and the interaction energy for all these interactions. In addition, we show that extrapolation of the fitted line leads to the ionic bond for Li-bonding (electrostatic) while for hydrogen and chlorine bonding, it leads to the covalent bond. Further, we observe a strong correlation between the change in electron density at the D-X BCP and that at the X center dot center dot center dot A BCP, suggesting conservation of the bond order. The correlation found between penetration and electron density at BCP can be very useful for crystal structure analysis, which relies on arbitrary van der Waals radii for estimating penetration. Various criteria proposed for shared-and closed-shell interactions based on electron density topology have been tested for H/Cl/Li bonded complexes. Finally, using the natural bond orbital (NBO) analysis it is shown that the D-X bond weakens upon X bond formation, whether it is ionic (DLi) or covalent (DH/DCl) and the respective indices such as ionicity or covalent bond order decrease. Clearly, one can think of conservation of bond order that includes ionic and covalent contributions to both D-X and X center dot center dot center dot A bonds, for not only X = H/Cl/Li investigated here but also any atom involved in intermolecular bonding.

Distribution, Demography, and Conservation of Lion-tailed Macaques (Macaca silenus) in the Anamalai Hills Landscape, Western Ghats, India

The status of the endemic and endangered lion-tailed macaque (Macaca silenus) has not been properly assessed in several regions of the Western Ghats of southern India. We conducted a study in Parambikulam Forest Reserve in the state of Kerala to determine the distribution, demography, and status of lion-tailed macaques. We laid 5km(2) grid cells on the map of the study area (644km(2)) and made four replicated walks in each grid cell using GPS. We gathered data on lion-tailed macaque group locations, demography, and site covariates including trail length, duration of walk, proportion of evergreen forest, height of tallest trees, and human disturbance index. We also performed occupancy modeling using PRESENCE ver. 3.0. We estimated a minimum of 17 groups of macaques in these hills. Low detection and occupancy probabilities indicated a low density of lion-tailed macaques in the study area. Height of the tallest trees correlated positively whereas human disturbance and proportion of evergreen forest correlated negatively with occupancy in grid cells. We also used data from earlier studies carried out in the surrounding Anamalai Tiger Reserve and Nelliyampathy Hills to discuss the conservation status in the large Anamalai Hills Landscape. This landscape harbors an estimated population of 1108 individuals of lion-tailed macaques, which is about one third of the entire estimated wild population of this species. A conservation plan for this landscape could be used as a model for conservation in other regions of the Western Ghats.

Identifying regions for conservation of sloth bears through occupancy modelling in north-eastern Karnataka, India

In the absence of information on species in decline with contracting ranges, management should emphasize remaining populations and protection of their habitats. Threatened by anthropogenic pressure including habitat degradation and loss, sloth bears (Melursus ursinus) in India have become limited in range, habitat, and population size. We identified ecological and anthropogenic determinants of occurrence within an occupancy framework to evaluate habitat suitability of non-protected regions (with sloth bears) in northeastern Karnataka, India. We employed a systematic sampling methodology to yield presence absence data to examine a priori hypotheses of determinants that affected occupancy. These covariates were broadly classified as habitat or anthropogenic factors. Mean number of termite mounds and trees positively influenced sloth bear occupancy, and grazing pressure expounded by mean number of livestock dung affected it negatively. Also, mean percentage of shrub coverage had no impact on bear inhabitance. The best fitting model further predicted habitats in Bukkasagara, Agoli, and Benakal reserved forests to have 38%, 75%, and 88%, respectively, of their sampled grid cells with high occupancies (>0.70) albeit little or no legal protection. We recommend a conservation strategy that includes protection of vegetation stand-structure, maintenance of soil moisture, and enrichment of habitat for the long-term welfare of this species.

Weak conservation of structural features in the interfaces of homologous transient protein-protein complexes

Residue types at the interface of protein-protein complexes (PPCs) are known to be reasonably well conserved. However, we show, using a dataset of known 3-D structures of homologous transient PPCs, that the 3-D location of interfacial residues and their interaction patterns are only moderately and poorly conserved, respectively. Another surprising observation is that a residue at the interface that is conserved is not necessarily in the interface in the homolog. Such differences in homologous complexes are manifested by substitution of the residues that are spatially proximal to the conserved residue and structural differences at the interfaces as well as differences in spatial orientations of the interacting proteins. Conservation of interface location and the interaction pattern at the core of the interfaces is higher than at the periphery of the interface patch. Extents of variability of various structural features reported here for homologous transient PPCs are higher than the variation in homologous permanent homomers. Our findings suggest that straightforward extrapolation of interfacial nature and inter-residue interaction patterns from template to target could lead to serious errors in the modeled complex structure. Understanding the evolution of interfaces provides insights to improve comparative modeling of PPC structures.

Kommentar zum Worm-et-al.-Artikel„Impacts of Biodiversity Loss on Ocean Ecosystem Services“: erschienen im Wissenschaftsmagazin Science, Vol. 314, am 3. November 2006

Folgende Kernbehauptungen bzw. Hypothesen werden in dem Worm-et-al.-Artikel aufgestellt: -Der Verlust an Biodiversität (Artenzahl) in einem Meeresgebiet reduziert tief greifend seine Produktivität und seine Stabilität in Stressperioden, hervorgerufen u.a. durch Überfischung und Klimaänderung. -Die Zahl der kollabierten Arten nimmt zu. Dieser Trend projeziert den Kollaps aller wildlebenden Arten und Bestände, die gegenwärtig befischt werden, auf das Jahr 2048. -Diese Entwicklung ist zum gegenwärtigen Zeitpunkt reversibel, denn das Meer besitzt noch ein großes Potential sich zu regenerieren. Dazu ist aber mehr Umweltschutz notwendig.

The role of sites of special scientific interest (SSSIs) in the conservation of British rivers

This paper discusses the particular contribution of the SSSI (Sites of Special Scientific Interest) as a way of nature conservation for rivers. In 1989, the Nature Conservancy Council proposed a dual selection system for selection of rivers; either (1) "Whole river" SSSIs representing the main types of river, or rivers which show classic and representative transitions down their lengths, or (2) "Sectional" SSSIs which are shorter stretches of river with high nature conservation interest. The NCC has recently classified all SSSIs with a river interest into 4 categories: - river SSSIs, river valley SSSIs, river adds interest - where the river clearly adds biological interest to the site, and rivers of incidental interest. The overall length of river SSSIs amounts to almost 1000 km.

Pond action: Promoting the conservation of ponds in Britain

Pond Action is an independent freshwater conservation project which was started in 1987. It is based in the School of Biological and Molecular Sciences in Oxford Polytechnic and has five full-time staff with two senior advisors. The main aim of Pond Action's work has been to promote the conservation of ponds by creating a sound, scientific basis for pond conservation. An essential aspect of this work is the need to make the results of scientific work available and understandable to everybody concerned with pond conservation.

Symposium on Llangrose Lake: the ecology and conservation of a large nutrient-rich lake in South Wales

This paper summarises a meeting which discussed the ecology and conservation of Llangorse Lake in South Wales. The meeting was organised by the British Ecological Society (Aquatic Ecology Group), in association with the Countryside Council for Wales (CCW), Brecon Beacon National Park Authority (BBNPA) and Environment Agency Wales. It took place on 22 October 1998.

Use of biological reference points for the conservation of atlantic salmon (Salmo salar L.)in the River Lune, North West England.

This paper deals with the development and use of biological reference points for salmon conservation on the River Lune, England. The Lune supports recreational and net fisheries with annual catches in the region of 1,000 and 1356 salmon respectively. Using models transported from other river systems, biological reference points exclusive to the Lune were developed; specifically the number of eggs deposited and carrying capacity estimates for age 0+ and 1+ parr. The conservation limit was estimated at 11.9 million eggs and between 1989 and 1998 was exceeded in two years. Comparison of juvenile salmon densities in 1991 and 1997 with estimates of carrying capacity indicated that 0+ and 1+ parr densities were at around 60 % of carrying capacity and may relate to the number of eggs deposited in 1990 and 1996 being approximately 70% of the target value. The paper discusses the management actions taken in order to ensure that the management target of the conservation limit being met four years out of five is delivered. It also discusses the balance between conservation and exploitation and the socio-economic decisions made in order to ensure parity of impacts on the rod and net fisheries. The regulations have been enforced since 1999 and the paper concludes with an assessment of the actions taken to deliver the management targets, over the last five years.

Problems for the conservation of freshwater fish genetic resources in India and some possible solutions

Many interconnected problems involved for the conservation of freshwater fish genetic resources of India are enumerated. Some possible solutions to the problems are also discussed.

Conservation of the Nilgiri rainbow trout in India

Rainbow trout is one of the important exotic species that is well established in the upland waters of India. This paper presents the historical background of its introduction and the present status of the fish in the streams of he Nilgiri peninsula of India. The rainbow trout inhabits natural reservoirs and streams of the region as a self-recruiting population. The growth rate is reported to be relatively low and conflicting views about its taxonomic status have been reported. Successful crossbreeding of the Nilgiri rainbow trout with trout stocks from the Indian State of Himachal Pradesh has indicated the scope for utilizing cryopreserved milt as a mode of introducing new genetic material into the Nilgiri rainbow trout population. This paper outlines the requirement of ecological and genetic data to develop a strategy for management and reintroduction fresh stocks.

Ex-situ conservation of the germplasm of aquatic organisms

This paper summarizes some of the major issues relating to ex-situ conservation of the germplasm of aquatic organisms and gives examples of some current activities and future possibilities.