Continuum in the X-Z-Y Weak Bonds: Z= Main Group Elements

The Continuum in the variation of the X-Z bond length change from blue-shifting to red-shifting through zero-shifting in the X-Z---Y complex is inevitable. This has been analyzed by ab-initio molecular orbital calculations using Z= Hydrogen, Halogens, Chalcogens, and Pnicogens as prototypical examples. Our analysis revealed that, the competition between negative hyperconjugation within the donor (X-Z) molecule and Charge Transfer (CT) from the acceptor (Y) molecule is the primary reason for the X-Z bond length change. Here, we report that, the proper tuning of X-and Y-group for a particular Z-can change the blue-shifting nature of X-Z bond to zero-shifting and further to red-shifting. This observation led to the proposal of a continuum in the variation of the X-Z bond length during the formation of X-Z---Y complex. The varying number of orbitals and electrons available around the Z-atom differentiates various classes of weak interactions and leads to interactions dramatically different from the H-Bond. Our explanations based on the model of anti-bonding orbitals can be transferred from one class of weak interactions to another. We further take the idea of continuum to the nature of chemical bonding in general. (C) 2015 Wiley Periodicals, Inc.

Hydrogen Bonds Computing Server (HBCS): an online web server to compute hydrogen-bond interactions and their precision

Hydrogen bonds in biological macromolecules play significant structural and functional roles. They are the key contributors to most of the interactions without which no living system exists. In view of this, a web-based computing server, the Hydrogen Bonds Computing Server (HBCS), has been developed to compute hydrogen-bond interactions and their standard deviations for any given macromolecular structure. The computing server is connected to a locally maintained Protein Data Bank (PDB) archive. Thus, the user can calculate the above parameters for any deposited structure, and options have also been provided for the user to upload a structure in PDB format from the client machine. In addition, the server has been interfaced with the molecular viewers Jmol and JSmol to visualize the hydrogen-bond interactions. The proposed server is freely available and accessible via the World Wide Web at http://bioserver1.physics.iisc.ernet.in/hbcs/.

Rescue, rehabilitation, and release of marine mammals: An analysis of current views and practices.

Stranded marine mammals have long attracted public attention. Those that wash up dead are, for all their value to science, seldom seen by the public as more than curiosities. Animals that are sick, injured, orphaned or abandoned ignite a different response. Generally, public sentiment supports any effort to rescue, treat and return them to sea. Institutions displaying marine mammals showed an early interest in live-stranded animals as a source of specimens -- in 1948, Marine Studios in St. Augustine, Florida, rescued a young short-finned pilot whale (Globicephala macrorhynchus), the first ever in captivity (Kritzler 1952). Eventually, the public as well as government agencies looked to these institutions for their recognized expertise in marine mammal care and medicine. More recently, facilities have been established for the sole purpose of rehabilitating marine mammals and preparing them for return to the wild. Four such institutions are the Marine Mammal Center (Sausalito, CA), the Research Institute for Nature Management (Pieterburen, The Netherlands), the RSPCA, Norfolk Wildlife Hospital (Norfolk, United Kingdom) and the Institute for Wildlife Biology of Christian-Albrects University (Kiel, Germany).(PDF contains 68 pages.)

Design and synthesis of quasi-diastereomeric molecules with unchanging central, regenerating axial and switchable helical chirality via cleavage and formation of Ni(II)–O and Ni(II)–N coordination bonds

9 p.

The role of H-bonds on the structure and dynamics of very concentrated polymer solutions

153 p.

Triel Bonds, pi-Hole-pi-Electrons Interactions in Complexes of Boron and Aluminium Trihalides and Trihydrides with Acetylene and Ethylene

MP2/aug-cc-pVTZ calculations were performed on complexes of aluminium and boron trihydrides and trihalides with acetylene and ethylene. These complexes are linked through triel bonds where the triel center (B or Al) is characterized by the Lewis acid properties through its -hole region while -electrons of C2H2 or C2H4 molecule play the role of the Lewis base. Some of these interactions possess characteristics of covalent bonds, i.e., the Al--electrons links as well as the interaction in the BH3-C2H2 complex. The triel--electrons interactions are classified sometimes as the 3c-2e bonds. In the case of boron trihydrides, these interactions are often the preliminary stages of the hydroboration reaction. The Quantum Theory of Atoms in Molecules as well as the Natural Bond Orbitals approach are applied here to characterize the -hole--electrons interactions.

Ongoing rehabilitation of coastal communities in Aceh province : a new project

This article presents an overview of the project on Rehabilitation of Fisheries and Aquaculture in Tsunami-affected Coastal Communities in Aceh Province. Building on the research results from the recently completed projects detailed in the previous articles, this project shall synthesize information on coastal fishing communities and resources in order to develop site-specific management options to support rehabilitation of fisheries and aquaculture.

Fisheries rehabilitation in post-tsunami Aceh: Status and needs from participatory appraisals

The widespread and long-term nature of the tsunami damage in Aceh province, Indonesia has threatened the continued use of coastal and fisheries resources. This article describes the application of the Rapid Appraisal of Fisheries Management System (RAFMS) methodology and presents key findings from the participatory appraisals in 15 study sites. The focus is on changes in the number and types of fishing boats and fishing effort, consumption and marketing flow patterns and community perspectives on livelihood options. The level of aid (for new boats), mainly from international organizations, has been unevenly distributed with the number of boats in 13 of 15 villages still being well below the pre-tsunami levels. A focus on supplying small vessels may put increased fishing pressure on the near-shore zone. Consumption data and marketing flows suggest that most fishing villages are supplying outside markets and adding considerably to the wider food security of the province. Despite the tsunami, marine fisheries-related livelihoods are still preferred, although there are indications for the potential expansion of livelihoods into the culture of new species. Alternative resource-based livelihoods need to be tested and refined to fit the needs of the current conditions in Aceh to provide viable options for eliminating hunger and reducing poverty.

Mangrove rehabilitation in the west coast of Aceh: issues and perspectives

The condition of mangroves pre- and post- tsunami and the socioeconomic role of mangrove forests in the livelihoods of coastal communities along the west coast of Aceh province, Indonesia are examined. The findings indicate that community livelihoods are significantly linked to the mangrove ecosystem. However, most of the mangrove rehabilitation programs are conservation orientated, aimed primarily at land conservation, and are not necessarily linked with livelihood options for local people or integrated resource management. This is a cause for concern as rehabilitation will only succeed when conservation measures are balanced with local community needs to obtain sustainable benefits from the rehabilitated systems. The rehabilitation efforts do involve the communities to a certain extent, but a more holistic and integrated approach needs to be adopted to ensure better management and sustainability of the rehabilitated mangrove forests.

Mangrove rehabilitation and coastal resource management: a case study of Cogtong Bay, Philippines

The Cogtong Bay experience represents a bold attempt to pursue a shared responsibility between the government and local residents for rehabilitating coastal resources. Some of the factors that provided the impetus to co-management arrangements were the recognition of resource management problems, dependence on coastal resources for livelihood and the desire for more sustainable resource use. This paper draws attention to the importance of legitimate user/property rights, vigilant law enforcement efforts, common commitment among stakeholders and continuing support from local leadership in viable co-management arrangements.